362	362	939	5:SPD6_SP2_SPD6	C[5x3,6x5,20x6]	C[5x3,6x5,20x6]	Ge[5]	6:6:6:6:6:3:	6:6:6:6:6:3:	6:3:1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,6x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:Ge[5]-3:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,6x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5]-3:	C[5x3,6x5,20x6]-6:N[5]-3:Cl-1:	C[5x3,6x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,20x6]H)2(C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(Ge[5]N[5]Cl)	C[5x3,6x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,20x6]H)2(C[5x3,6x5,20x6]B[5x3,5x5,20x6]4Ge[5])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5]N[5]N)	Ge[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(N[5]C[5]C[6])(Cl)	C[5x3,6x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,20x6]H)2(C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(Ge[5]N[5]Cl){1|B<6>,1|C<4>,1|N<3>,5|H<1>}	C[5x3,6x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,20x6]H)2(C[5x3,6x5,20x6]B[5x3,5x5,20x6]4Ge[5])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5]N[5]N){1|Cl<1>,1|B<6>,1|C<4>,5|H<1>}	Ge[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(N[5]C[5]C[6])(Cl){1|N<3>,2|C<4>,5|B<6>,5|H<1>}	109.7040	0.000	1	109.7040	0.000	1	109.7040	0.000	1	109.7040	0.000	1	109.7040	0.000	1	109.7040	0.000	1
362	362	941	0:SPD6_SP2_SPD6	C[5x3,5x5,20x6]	C[5x3,5x5,20x6]	N	6:6:6:6:6:2:	6:6:6:6:6:1:	6:2:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:N-2:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:H-1:	C[5x3,5x5,20x6]-6:N-2:	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(NN)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4N)(H)	N(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(NC[6a])	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(NN){1|B<6>,5|H<1>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4N)(H){1|B<6>,5|H<1>}	N(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(NC[6a])	120.7913	0.573	4	120.7913	0.328	4	120.7913	0.328	4	120.7913	0.328	4	117.7353	12.382	9	117.7353	12.382	9
362	362	941	0:SPD6_SP2_SPD6	C[5x3,5x5,20x6]	C[5x3,5x5,20x6]	N	6:6:6:6:6:2:	6:6:6:6:6:1:	6:3:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:N-2:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:H-1:	C[5x3,5x5,20x6]-6:N-3:	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]Ir)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(NN)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]Ir)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4N)(H)	N(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(NC[6a]Ir)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]Ir)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(NN){1|B<6>,5|H<1>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]Ir)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4N)(H){1|B<6>,5|H<1>}	N(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(NC[6a]Ir)	117.3275	0.156	2	117.3275	0.024	2	117.2853	0.018	3	117.2853	0.018	3	117.7353	12.382	9	117.7353	12.382	9
362	362	941	0:SPD6_SP2_SPD6	C[5x3,5x5,20x6]	C[5x3,5x5,20x6]	N	6:6:6:6:6:2:	6:6:6:6:6:1:	6:3:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:N-2:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:H-1:	C[5x3,5x5,20x6]-6:N-3:	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]Rh)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(NN)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]Rh)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4N)(H)	N(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(NC[6a]Rh)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]Rh)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(NN){1|B<6>,5|H<1>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]Rh)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4N)(H){1|B<6>,5|H<1>}	N(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(NC[6a]Rh)	117.2010	0.000	1	117.2010	0.000	1	117.2853	0.018	3	117.2853	0.018	3	117.7353	12.382	9	117.7353	12.382	9
362	362	941	0:SPD6_SP2_SPD6	C[5x3,5x5,20x6]	C[5x3,5x5,20x6]	N	6:6:6:6:6:2:	6:6:6:6:6:3:	6:2:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:N-2:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C[6a]-3:	C[5x3,5x5,20x6]-6:N-2:	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[6a])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(NN)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4N)(C[6a]C[6a]2)	N(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(NN)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[6a])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(NN){1|B<6>,2|C<3>,5|H<1>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4N)(C[6a]C[6a]2){1|B<6>,2|C<3>,7|H<1>}	N(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(NN)	111.6080	0.000	1	111.6080	0.000	1	111.6080	0.000	1	111.6080	0.000	1	117.7353	12.382	9	117.7353	12.382	9
362	362	941	0:SPD6_SP2_SPD6	C[5x3,5x5,20x6]	C[5x3,5x5,20x6]	N	6:6:6:6:6:2:	6:6:6:6:6:4:	6:1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:N-2:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:Si-4:	C[5x3,5x5,20x6]-6:O-1:	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4Si)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(NO)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4N)(SiC3)	N(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(O)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4Si)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(NO){1|B<6>,5|H<1>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4N)(SiC3){1|B<6>,5|H<1>}	N(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(O)	112.9890	0.000	1	112.9890	0.000	1	112.9890	0.000	1	112.9890	0.000	1	117.7353	12.382	9	117.7353	12.382	9
362	362	945	0:SPD6_SP3_SPD6	C[5x3,5x5,20x6]	C[5x3,5x5,20x6]	P	6:6:6:6:6:3:	6:6:6:6:6:1:	6:3:3:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:P-3:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:H-1:	C[5x3,5x5,20x6]-6:C[5]-3:N-3:	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(PC[5]N)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4P)(H)	P(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[5]C[5,6a]C[5])(NCC)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(PC[5]N){1|B<6>,5|H<1>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4P)(H){1|B<6>,5|H<1>}	P(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[5]C[5,6a]C[5])(NCC)	121.8050	2.295	2	121.8050	5.268	2	121.8050	5.268	2	117.3833	61.288	3	119.9511	34.637	10	119.9511	34.637	10
362	362	945	0:SPD6_SP3_SPD6	C[5x3,5x5,20x6]	C[5x3,5x5,20x6]	P	6:6:6:6:6:3:	6:6:6:6:6:1:	6:3:3:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:P-3:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:H-1:	C[5x3,5x5,20x6]-6:C[6a]-3:C[6a]-3:	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(PC[6a]2)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4P)(H)	P(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]2)2	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(PC[6a]2){1|B<6>,5|H<1>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4P)(H){1|B<6>,5|H<1>}	P(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]2)2	108.5400	0.000	1	108.5400	0.000	1	108.5400	0.000	1	117.3833	61.288	3	119.9511	34.637	10	119.9511	34.637	10
362	362	945	0:SPD6_SP3_SPD6	C[5x3,5x5,20x6]	C[5x3,5x5,20x6]	P	6:6:6:6:6:3:	6:6:6:6:6:1:	6:4:1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:P-3:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:H-1:	C[5x3,5x5,20x6]-6:C[5]-4:Cl-1:	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(PC[5]Cl)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4P)(H)	P(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[5]C[5]2Fe)(Cl)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(PC[5]Cl){1|B<6>,5|H<1>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4P)(H){1|B<6>,5|H<1>}	P(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[5]C[5]2Fe)(Cl)	113.5395	0.158	2	113.5395	0.025	2	113.5395	0.025	2	116.6293	28.654	3	119.9511	34.637	10	119.9511	34.637	10
362	362	945	0:SPD6_SP3_SPD6	C[5x3,5x5,20x6]	C[5x3,5x5,20x6]	P	6:6:6:6:6:3:	6:6:6:6:6:1:	6:4:1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:P-3:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:H-1:	C[5x3,5x5,20x6]-6:C[5]-4:H-1:	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(PC[5]H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4P)(H)	P(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[5]C[5]2Fe)(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(PC[5]H){1|B<6>,5|H<1>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4P)(H){1|B<6>,5|H<1>}	P(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[5]C[5]2Fe)(H)	122.8090	0.000	1	122.8090	0.000	1	122.8090	0.000	1	116.6293	28.654	3	119.9511	34.637	10	119.9511	34.637	10
362	362	945	0:SPD6_SP3_SPD6	C[5x3,5x5,20x6]	C[5x3,5x5,20x6]	P	6:6:6:6:6:3:	6:6:6:6:6:1:	6:4:2:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:P-3:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:H-1:	C[5x3,5x5,20x6]-6:C[5]-4:O-2:	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(PC[5]O)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4P)(H)	P(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[5]C[5]2Fe)(OC)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(PC[5]O){1|B<6>,5|H<1>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4P)(H){1|B<6>,5|H<1>}	P(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[5]C[5]2Fe)(OC)	124.3683	0.554	4	124.3683	0.307	4	124.3683	0.307	4	124.3683	0.307	4	119.9511	34.637	10	119.9511	34.637	10
362	362	951	0:SPD6_SP-NON_SPD6	C[3,3,4,4,6]	C[3,3,4,4,6]	H	7:6:6:2:2:1:	7:6:6:2:2:1:	6:	C[6x3]-7:C[3x3,4,6]-6:C[3,3,4,4,6]-6:H[4]-2:H[4]-2:H-1:	C[6x3]-7:C[3x3,4,6]-6:C[3,3,4,4,6]-6:H[4]-2:H[4]-2:H-1:	C[3,3,4,4,6]-6:	C[3,3,4,4,6](C[6x3]C[3,3,4,4,6]C[3x3,4,6]2C[4x3,4,6]2C[6])(C[3x3,4,6]C[4x3,4,6]C[6x3]H[3,3]H[4]H)(C[3,3,4,4,6]C[3x3,4,6]C[6x3]H[4]2H)(H[4]H[4])2(H)	C[3,3,4,4,6](C[6x3]C[3,3,4,4,6]C[3x3,4,6]2C[4x3,4,6]2C[6])(C[3x3,4,6]C[4x3,4,6]C[6x3]H[3,3]H[4]H)(C[3,3,4,4,6]C[3x3,4,6]C[6x3]H[4]2H)(H[4]H[4])2(H)	H(C[3,3,4,4,6]C[3,3,4,4,6]C[3x3,4,6]C[6x3]H[4]2)	C[3,3,4,4,6](C[6x3]C[3,3,4,4,6]C[3x3,4,6]2C[4x3,4,6]2C[6])(C[3x3,4,6]C[4x3,4,6]C[6x3]H[3,3]H[4]H)(C[3,3,4,4,6]C[3x3,4,6]C[6x3]H[4]2H)(H[4]H[4])2(H){1|H<3>,2|C<3>,3|H<1>,5|H<2>}	C[3,3,4,4,6](C[6x3]C[3,3,4,4,6]C[3x3,4,6]2C[4x3,4,6]2C[6])(C[3x3,4,6]C[4x3,4,6]C[6x3]H[3,3]H[4]H)(C[3,3,4,4,6]C[3x3,4,6]C[6x3]H[4]2H)(H[4]H[4])2(H){1|H<3>,2|C<3>,3|H<1>,5|H<2>}	H(C[3,3,4,4,6]C[3,3,4,4,6]C[3x3,4,6]C[6x3]H[4]2)	92.1760	1.049	2	92.1760	1.101	2	92.1760	1.101	2	92.1760	1.101	2	92.1760	1.101	2	117.5772	103.967	352
362	362	951	0:SPD6_SP-NON_SPD6	C[3,3,4,4,6]	C[3x3,4,6]	H	7:6:6:2:2:1:	7:7:6:3:2:1:	6:	C[6x3]-7:C[3x3,4,6]-6:C[3,3,4,4,6]-6:H[4]-2:H[4]-2:H-1:	C[6x3]-7:C[4x3,4,6]-7:C[3,3,4,4,6]-6:H[3,3]-3:H[4]-2:H-1:	C[3,3,4,4,6]-6:	C[3,3,4,4,6](C[6x3]C[3,3,4,4,6]C[3x3,4,6]2C[4x3,4,6]2C[6])(C[3x3,4,6]C[4x3,4,6]C[6x3]H[3,3]H[4]H)(C[3,3,4,4,6]C[3x3,4,6]C[6x3]H[4]2H)(H[4]H[4])2(H)	C[3x3,4,6](C[6x3]C[3,3,4,4,6]2C[3x3,4,6]C[4x3,4,6]2C[6])(C[4x3,4,6]C[4x3,4,6]C[6x3]H[3,3]H[3]H[4]H)(C[3,3,4,4,6]C[3,3,4,4,6]C[6x3]H[4]2H)(H[3,3]C[4x3,4,6]H[3])(H[4]H[4])(H)	H(C[3,3,4,4,6]C[3,3,4,4,6]C[3x3,4,6]C[6x3]H[4]2)	C[3,3,4,4,6](C[6x3]C[3,3,4,4,6]C[3x3,4,6]2C[4x3,4,6]2C[6])(C[3x3,4,6]C[4x3,4,6]C[6x3]H[3,3]H[4]H)(C[3,3,4,4,6]C[3x3,4,6]C[6x3]H[4]2H)(H[4]H[4])2(H){1|H<3>,2|C<3>,3|H<1>,5|H<2>}	C[3x3,4,6](C[6x3]C[3,3,4,4,6]2C[3x3,4,6]C[4x3,4,6]2C[6])(C[4x3,4,6]C[4x3,4,6]C[6x3]H[3,3]H[3]H[4]H)(C[3,3,4,4,6]C[3,3,4,4,6]C[6x3]H[4]2H)(H[3,3]C[4x3,4,6]H[3])(H[4]H[4])(H){1|H<3>,2|C<3>,3|H<1>,5|H<2>}	H(C[3,3,4,4,6]C[3,3,4,4,6]C[3x3,4,6]C[6x3]H[4]2)	84.4330	1.843	2	84.4330	3.396	2	84.4330	3.396	2	84.4330	3.396	2	84.4330	3.396	2	117.5772	103.967	352
362	362	951	0:SPD6_SP-NON_SPD6	C[3,3]	C[3x3]	H	7:6:6:1:1:1:	7:5:6:2:1:1:	6:	C[4x3,4,4]-7:C[3x3]-6:C[3x3]-6:H-1:H-1:H-1:	C[4x3,4,4]-7:C[3,3,3x4]-5:C[3,3]-6:H[3]-2:H-1:H-1:	C[3,3]-6:	C[3,3](C[4x3,4,4]C[3,3,3x4]C[3,3]C[3x3]2C[3x4]C)(C[3x3]C[3,3,3x4]C[4x3,4,4]H[3]HH)(C[3x3]C[4x3,4,4]C[3,3]H[3]HH)(H)3	C[3x3](C[4x3,4,4]C[3,3,3x4]C[3,3]2C[3x3]C[3x4]C)(C[3,3,3x4]C[4x3,4,4]H[4,4]2H[3])(C[3,3]C[4x3,4,4]C[3x3]H3)(H[3]C[3,3,3x4])(H)2	H(C[3,3]C[4x3,4,4]C[3x3]2HH)	C[3,3](C[4x3,4,4]C[3,3,3x4]C[3,3]C[3x3]2C[3x4]C)(C[3x3]C[3,3,3x4]C[4x3,4,4]H[3]HH)(C[3x3]C[4x3,4,4]C[3,3]H[3]HH)(H)3{2|H<2>,3|H<1>}	C[3x3](C[4x3,4,4]C[3,3,3x4]C[3,3]2C[3x3]C[3x4]C)(C[3,3,3x4]C[4x3,4,4]H[4,4]2H[3])(C[3,3]C[4x3,4,4]C[3x3]H3)(H[3]C[3,3,3x4])(H)2{1|H<2>,5|H<1>}	H(C[3,3]C[4x3,4,4]C[3x3]2HH)	108.9600	52.461	3	108.9600	2752.202	3	108.9600	2752.202	3	108.9600	2752.202	3	108.8919	1704.198	6	117.5772	103.967	352
362	362	951	0:SPD6_SP-NON_SPD6	C[3,3]	C[3x3]	H	7:6:6:1:1:1:	7:6:5:2:1:1:	6:	C[4x3,4,4]-7:C[3x3]-6:C[3x3]-6:H-1:H-1:H-1:	C[4x3,4,4]-7:C[3,3]-6:C[3,3]-5:H[3]-2:H-1:H-1:	C[3,3]-6:	C[3,3](C[4x3,4,4]C[3,3,3x4]C[3,3]C[3x3]2C[3x4]C)(C[3x3]C[3,3,3x4]C[4x3,4,4]H[3]HH)(C[3x3]C[4x3,4,4]C[3,3]H[3]HH)(H)3	C[3x3](C[4x3,4,4]C[3,3,3x4]C[3,3]2C[3x3]C[3x4]C)(C[3,3]C[4x3,4,4]C[3x3]H3)(C[3,3]C[4x3,4,4]H[3]HH)(H[3]C[3,3])(H)2	H(C[3,3]C[4x3,4,4]C[3x3]2HH)	C[3,3](C[4x3,4,4]C[3,3,3x4]C[3,3]C[3x3]2C[3x4]C)(C[3x3]C[3,3,3x4]C[4x3,4,4]H[3]HH)(C[3x3]C[4x3,4,4]C[3,3]H[3]HH)(H)3{2|H<2>,3|H<1>}	C[3x3](C[4x3,4,4]C[3,3,3x4]C[3,3]2C[3x3]C[3x4]C)(C[3,3]C[4x3,4,4]C[3x3]H3)(C[3,3]C[4x3,4,4]H[3]HH)(H[3]C[3,3])(H)2{3|H<1>,3|H<2>}	H(C[3,3]C[4x3,4,4]C[3x3]2HH)	108.8238	38.837	3	108.8238	1508.279	3	108.8238	1508.279	3	108.8238	1508.279	3	108.8919	1704.198	6	117.5772	103.967	352
362	362	951	0:SPD6_SP-NON_SPD6	C[3,3x4,4x5]	C[3x3,4,5,5]	H	7:6:2:2:4:1:	7:6:5:2:2:1:	6:	C[3x3,3x4,5,5]-7:C[3x3,4,5,5]-6:H[4,4,5]-2:H[4,4,5]-2:C[4,5,5]-4:H-1:	C[3x3,3x4,5,5]-7:C[3,3x4,4x5]-6:S[4,5,5]-5:H[3]-2:H[3]-2:H-1:	C[3,3x4,4x5]-6:	C[3,3x4,4x5](C[3x3,3x4,5,5]C[3x3,4,5,5]C[4x4,5,5]C[4,5,5]H[3]2H)(C[3x3,4,5,5]C[3x3,3x4,5,5]S[4,5,5]H[3]2H)(H[4,4,5]C[4x4,5,5])2(C[4,5,5]H[4,5]2H)(H)	C[3x3,4,5,5](C[3x3,3x4,5,5]C[3,3x4,4x5]C[4x4,5,5]C[4,5,5]H[3]2H)(C[3,3x4,4x5]C[3x3,3x4,5,5]C[4,5,5]H[4,4,5]2H)(S[4,5,5]C[4x4,5,5]C[5]OO)(H[3]C[3x3,3x4,5,5])2(H)	H(C[3,3x4,4x5]C[3x3,3x4,5,5]C[3x3,4,5,5]C[4,5,5]H[4,4,5]2)	C[3,3x4,4x5](C[3x3,3x4,5,5]C[3x3,4,5,5]C[4x4,5,5]C[4,5,5]H[3]2H)(C[3x3,4,5,5]C[3x3,3x4,5,5]S[4,5,5]H[3]2H)(H[4,4,5]C[4x4,5,5])2(C[4,5,5]H[4,5]2H)(H){1|C<4>,2|O<1>,4|H<1>}	C[3x3,4,5,5](C[3x3,3x4,5,5]C[3,3x4,4x5]C[4x4,5,5]C[4,5,5]H[3]2H)(C[3,3x4,4x5]C[3x3,3x4,5,5]C[4,5,5]H[4,4,5]2H)(S[4,5,5]C[4x4,5,5]C[5]OO)(H[3]C[3x3,3x4,5,5])2(H){2|C<4>,2|H<2>,6|H<1>}	H(C[3,3x4,4x5]C[3x3,3x4,5,5]C[3x3,4,5,5]C[4,5,5]H[4,4,5]2)	109.5640	0.000	1	109.5640	0.000	1	109.5640	0.000	1	109.5640	0.000	1	109.5640	0.000	1	117.5772	103.967	352
362	362	951	0:SPD6_SP-NON_SPD6	C[3,4,6]	C[3,4,6]	H	6:2:2:2:2:1:	6:5:2:2:1:1:	6:	C[3,4,6]-6:H[4]-2:S[6]-2:H[3]-2:H[3]-2:H-1:	C[3,4,6]-6:C[3,4]-5:H[3]-2:S[6]-2:H-1:H-1:	C[3,4,6]-6:	C[3,4,6](C[3,4,6]C[3,4]H[3]S[6]HH)(H[4]C[3,4])(S[6]C[5,6])(H[3]H[3])2(H)	C[3,4,6](C[3,4,6]H[3]2H[4]S[6]H)(C[3,4]H[3]H[4]HH)(H[3]C[3,4])(S[6]C[5,6])(H)2	H(C[3,4,6]C[3,4,6]H[3]2H[4]S[6])	C[3,4,6](C[3,4,6]C[3,4]H[3]S[6]HH)(H[4]C[3,4])(S[6]C[5,6])(H[3]H[3])2(H){1|C<3>,1|S<2>,2|H<1>}	C[3,4,6](C[3,4,6]H[3]2H[4]S[6]H)(C[3,4]H[3]H[4]HH)(H[3]C[3,4])(S[6]C[5,6])(H)2{1|C<3>,1|S<2>}	H(C[3,4,6]C[3,4,6]H[3]2H[4]S[6])	115.5240	0.000	1	115.5240	0.000	1	115.5240	0.000	1	115.5240	0.000	1	117.9782	414.691	3	117.5772	103.967	352
362	362	951	0:SPD6_SP-NON_SPD6	C[3,4,6]	C[3,4,6]	H	6:5:2:2:1:1:	6:2:2:2:2:1:	6:	C[3,4,6]-6:C[3,4]-5:H[3]-2:S[6]-2:H-1:H-1:	C[3,4,6]-6:H[4]-2:S[6]-2:H[3]-2:H[3]-2:H-1:	C[3,4,6]-6:	C[3,4,6](C[3,4,6]H[3]2H[4]S[6]H)(C[3,4]H[3]H[4]HH)(H[3]C[3,4])(S[6]C[5,6])(H)2	C[3,4,6](C[3,4,6]C[3,4]H[3]S[6]HH)(H[4]C[3,4])(S[6]C[5,6])(H[3]H[3])2(H)	H(C[3,4,6]C[3,4,6]C[3,4]H[3]S[6]H)	C[3,4,6](C[3,4,6]H[3]2H[4]S[6]H)(C[3,4]H[3]H[4]HH)(H[3]C[3,4])(S[6]C[5,6])(H)2{1|C<3>,1|S<2>}	C[3,4,6](C[3,4,6]C[3,4]H[3]S[6]HH)(H[4]C[3,4])(S[6]C[5,6])(H[3]H[3])2(H){1|C<3>,1|S<2>,2|H<1>}	H(C[3,4,6]C[3,4,6]C[3,4]H[3]S[6]H)	119.2053	28.642	2	119.2053	820.348	2	119.2053	820.348	2	119.2053	820.348	2	117.9782	414.691	3	117.5772	103.967	352
362	362	951	0:SPD6_SP-NON_SPD6	C[3,8x4,8x5,6,6]	C[3,3,5x4,14x5,6]	H	6:6:3:3:3:1:	6:3:3:3:3:3:	6:	C[3,8x4,8x5,6,6]-6:C[3,3,5x4,14x5,6]-6:H[3,3,4,4,5,5]-3:H[3,3,4,4,5,5]-3:S[3x4,5,5,3x6]-3:H-1:	C[3,8x4,8x5,6,6]-6:H[3,3,4,4,5,5]-3:H[3,3,4,4,5,5]-3:S[3x4,5,5,3x6]-3:H[3,3,7x5]-3:H[3,3,7x5]-3:	C[3,8x4,8x5,6,6]-6:	C[3,8x4,8x5,6,6](C[3,8x4,8x5,6,6]C[3,3,5x4,14x5,6]H[3,3,4,4,5,5]2S[3x4,5,5,3x6]H)(C[3,3,5x4,14x5,6]H[3,3,4,4,5,5]2S[3x4,5,5,3x6]H[3,3,7x5]2)(H[3,3,4,4,5,5]C[3,3,5x4,14x5,6]H[3,3,4,4,5,5])2(S[3x4,5,5,3x6]C[3,3,5x4,14x5,6]C[5,3x6])(H)	C[3,3,5x4,14x5,6](C[3,8x4,8x5,6,6]C[3,8x4,8x5,6,6]H[3,3,4,4,5,5]2S[3x4,5,5,3x6]H)(H[3,3,4,4,5,5]C[3,8x4,8x5,6,6]H[3,3,4,4,5,5])2(S[3x4,5,5,3x6]C[3,8x4,8x5,6,6]C[5,3x6])(H[3,3,7x5]C[3,3,5x4,14x5,6]H[3,3,7x5])2	H(C[3,8x4,8x5,6,6]C[3,3,5x4,14x5,6]C[3,8x4,8x5,6,6]H[3,3,4,4,5,5]2S[3x4,5,5,3x6])	C[3,8x4,8x5,6,6](C[3,8x4,8x5,6,6]C[3,3,5x4,14x5,6]H[3,3,4,4,5,5]2S[3x4,5,5,3x6]H)(C[3,3,5x4,14x5,6]H[3,3,4,4,5,5]2S[3x4,5,5,3x6]H[3,3,7x5]2)(H[3,3,4,4,5,5]C[3,3,5x4,14x5,6]H[3,3,4,4,5,5])2(S[3x4,5,5,3x6]C[3,3,5x4,14x5,6]C[5,3x6])(H){1|C<3>,1|S<2>}	C[3,3,5x4,14x5,6](C[3,8x4,8x5,6,6]C[3,8x4,8x5,6,6]H[3,3,4,4,5,5]2S[3x4,5,5,3x6]H)(H[3,3,4,4,5,5]C[3,8x4,8x5,6,6]H[3,3,4,4,5,5])2(S[3x4,5,5,3x6]C[3,8x4,8x5,6,6]C[5,3x6])(H[3,3,7x5]C[3,3,5x4,14x5,6]H[3,3,7x5])2{1|C<3>,1|H<1>,1|S<2>}	H(C[3,8x4,8x5,6,6]C[3,3,5x4,14x5,6]C[3,8x4,8x5,6,6]H[3,3,4,4,5,5]2S[3x4,5,5,3x6])	109.4840	0.000	1	109.4840	0.000	1	109.4840	0.000	1	109.4840	0.000	1	109.4840	0.000	1	117.5772	103.967	352
362	362	951	0:SPD6_SP-NON_SPD6	C[3,8x4,8x5,6,6]	C[3,8x4,8x5,6,6]	H	6:6:3:3:3:1:	6:6:3:3:3:1:	6:	C[3,8x4,8x5,6,6]-6:C[3,3,5x4,14x5,6]-6:H[3,3,4,4,5,5]-3:H[3,3,4,4,5,5]-3:S[3x4,5,5,3x6]-3:H-1:	C[3,8x4,8x5,6,6]-6:C[3,3,5x4,14x5,6]-6:H[3,3,4,4,5,5]-3:H[3,3,4,4,5,5]-3:S[3x4,5,5,3x6]-3:H-1:	C[3,8x4,8x5,6,6]-6:	C[3,8x4,8x5,6,6](C[3,8x4,8x5,6,6]C[3,3,5x4,14x5,6]H[3,3,4,4,5,5]2S[3x4,5,5,3x6]H)(C[3,3,5x4,14x5,6]H[3,3,4,4,5,5]2S[3x4,5,5,3x6]H[3,3,7x5]2)(H[3,3,4,4,5,5]C[3,3,5x4,14x5,6]H[3,3,4,4,5,5])2(S[3x4,5,5,3x6]C[3,3,5x4,14x5,6]C[5,3x6])(H)	C[3,8x4,8x5,6,6](C[3,8x4,8x5,6,6]C[3,3,5x4,14x5,6]H[3,3,4,4,5,5]2S[3x4,5,5,3x6]H)(C[3,3,5x4,14x5,6]H[3,3,4,4,5,5]2S[3x4,5,5,3x6]H[3,3,7x5]2)(H[3,3,4,4,5,5]C[3,3,5x4,14x5,6]H[3,3,4,4,5,5])2(S[3x4,5,5,3x6]C[3,3,5x4,14x5,6]C[5,3x6])(H)	H(C[3,8x4,8x5,6,6]C[3,3,5x4,14x5,6]C[3,8x4,8x5,6,6]H[3,3,4,4,5,5]2S[3x4,5,5,3x6])	C[3,8x4,8x5,6,6](C[3,8x4,8x5,6,6]C[3,3,5x4,14x5,6]H[3,3,4,4,5,5]2S[3x4,5,5,3x6]H)(C[3,3,5x4,14x5,6]H[3,3,4,4,5,5]2S[3x4,5,5,3x6]H[3,3,7x5]2)(H[3,3,4,4,5,5]C[3,3,5x4,14x5,6]H[3,3,4,4,5,5])2(S[3x4,5,5,3x6]C[3,3,5x4,14x5,6]C[5,3x6])(H){1|C<3>,1|S<2>}	C[3,8x4,8x5,6,6](C[3,8x4,8x5,6,6]C[3,3,5x4,14x5,6]H[3,3,4,4,5,5]2S[3x4,5,5,3x6]H)(C[3,3,5x4,14x5,6]H[3,3,4,4,5,5]2S[3x4,5,5,3x6]H[3,3,7x5]2)(H[3,3,4,4,5,5]C[3,3,5x4,14x5,6]H[3,3,4,4,5,5])2(S[3x4,5,5,3x6]C[3,3,5x4,14x5,6]C[5,3x6])(H){1|C<3>,1|S<2>}	H(C[3,8x4,8x5,6,6]C[3,3,5x4,14x5,6]C[3,8x4,8x5,6,6]H[3,3,4,4,5,5]2S[3x4,5,5,3x6])	80.5122	0.000	1	80.5122	0.000	1	80.5122	0.000	1	80.5122	0.000	1	80.5122	0.000	1	117.5772	103.967	352
362	362	951	0:SPD6_SP-NON_SPD6	C[3x3,4,5,5]	C[3,3x4,4x5]	H	7:6:5:2:2:1:	7:6:2:2:4:1:	6:	C[3x3,3x4,5,5]-7:C[3,3x4,4x5]-6:S[4,5,5]-5:H[3]-2:H[3]-2:H-1:	C[3x3,3x4,5,5]-7:C[3x3,4,5,5]-6:H[4,4,5]-2:H[4,4,5]-2:C[4,5,5]-4:H-1:	C[3x3,4,5,5]-6:	C[3x3,4,5,5](C[3x3,3x4,5,5]C[3,3x4,4x5]C[4x4,5,5]C[4,5,5]H[3]2H)(C[3,3x4,4x5]C[3x3,3x4,5,5]C[4,5,5]H[4,4,5]2H)(S[4,5,5]C[4x4,5,5]C[5]OO)(H[3]C[3x3,3x4,5,5])2(H)	C[3,3x4,4x5](C[3x3,3x4,5,5]C[3x3,4,5,5]C[4x4,5,5]C[4,5,5]H[3]2H)(C[3x3,4,5,5]C[3x3,3x4,5,5]S[4,5,5]H[3]2H)(H[4,4,5]C[4x4,5,5])2(C[4,5,5]H[4,5]2H)(H)	H(C[3x3,4,5,5]C[3x3,3x4,5,5]C[3,3x4,4x5]S[4,5,5]H[3]2)	C[3x3,4,5,5](C[3x3,3x4,5,5]C[3,3x4,4x5]C[4x4,5,5]C[4,5,5]H[3]2H)(C[3,3x4,4x5]C[3x3,3x4,5,5]C[4,5,5]H[4,4,5]2H)(S[4,5,5]C[4x4,5,5]C[5]OO)(H[3]C[3x3,3x4,5,5])2(H){2|C<4>,2|H<2>,6|H<1>}	C[3,3x4,4x5](C[3x3,3x4,5,5]C[3x3,4,5,5]C[4x4,5,5]C[4,5,5]H[3]2H)(C[3x3,4,5,5]C[3x3,3x4,5,5]S[4,5,5]H[3]2H)(H[4,4,5]C[4x4,5,5])2(C[4,5,5]H[4,5]2H)(H){1|C<4>,2|O<1>,4|H<1>}	H(C[3x3,4,5,5]C[3x3,3x4,5,5]C[3,3x4,4x5]S[4,5,5]H[3]2)	109.7360	0.000	1	109.7360	0.000	1	109.7360	0.000	1	109.7360	0.000	1	109.7360	0.000	1	117.5772	103.967	352
362	362	951	0:SPD6_SP-NON_SPD6	C[3x3,4,6]	C[3,3,4,4,6]	H	7:7:6:3:2:1:	7:6:6:2:2:1:	6:	C[6x3]-7:C[4x3,4,6]-7:C[3,3,4,4,6]-6:H[3,3]-3:H[4]-2:H-1:	C[6x3]-7:C[3x3,4,6]-6:C[3,3,4,4,6]-6:H[4]-2:H[4]-2:H-1:	C[3x3,4,6]-6:	C[3x3,4,6](C[6x3]C[3,3,4,4,6]2C[3x3,4,6]C[4x3,4,6]2C[6])(C[4x3,4,6]C[4x3,4,6]C[6x3]H[3,3]H[3]H[4]H)(C[3,3,4,4,6]C[3,3,4,4,6]C[6x3]H[4]2H)(H[3,3]C[4x3,4,6]H[3])(H[4]H[4])(H)	C[3,3,4,4,6](C[6x3]C[3,3,4,4,6]C[3x3,4,6]2C[4x3,4,6]2C[6])(C[3x3,4,6]C[4x3,4,6]C[6x3]H[3,3]H[4]H)(C[3,3,4,4,6]C[3x3,4,6]C[6x3]H[4]2H)(H[4]H[4])2(H)	H(C[3x3,4,6]C[3,3,4,4,6]C[4x3,4,6]C[6x3]H[3,3]H[4])	C[3x3,4,6](C[6x3]C[3,3,4,4,6]2C[3x3,4,6]C[4x3,4,6]2C[6])(C[4x3,4,6]C[4x3,4,6]C[6x3]H[3,3]H[3]H[4]H)(C[3,3,4,4,6]C[3,3,4,4,6]C[6x3]H[4]2H)(H[3,3]C[4x3,4,6]H[3])(H[4]H[4])(H){1|H<3>,2|C<3>,3|H<1>,5|H<2>}	C[3,3,4,4,6](C[6x3]C[3,3,4,4,6]C[3x3,4,6]2C[4x3,4,6]2C[6])(C[3x3,4,6]C[4x3,4,6]C[6x3]H[3,3]H[4]H)(C[3,3,4,4,6]C[3x3,4,6]C[6x3]H[4]2H)(H[4]H[4])2(H){1|H<3>,2|C<3>,3|H<1>,5|H<2>}	H(C[3x3,4,6]C[3,3,4,4,6]C[4x3,4,6]C[6x3]H[3,3]H[4])	91.8388	1.566	2	91.8388	2.452	2	91.8388	2.452	2	91.8388	2.452	2	91.8388	2.452	2	117.5772	103.967	352
362	362	951	0:SPD6_SP-NON_SPD6	C[3x3]	C[3,3]	H	7:5:6:2:1:1:	7:6:6:1:1:1:	6:	C[4x3,4,4]-7:C[3,3,3x4]-5:C[3,3]-6:H[3]-2:H-1:H-1:	C[4x3,4,4]-7:C[3x3]-6:C[3x3]-6:H-1:H-1:H-1:	C[3x3]-6:	C[3x3](C[4x3,4,4]C[3,3,3x4]C[3,3]2C[3x3]C[3x4]C)(C[3,3,3x4]C[4x3,4,4]H[4,4]2H[3])(C[3,3]C[4x3,4,4]C[3x3]H3)(H[3]C[3,3,3x4])(H)2	C[3,3](C[4x3,4,4]C[3,3,3x4]C[3,3]C[3x3]2C[3x4]C)(C[3x3]C[3,3,3x4]C[4x3,4,4]H[3]HH)(C[3x3]C[4x3,4,4]C[3,3]H[3]HH)(H)3	H(C[3x3]C[3,3,3x4]C[4x3,4,4]C[3,3]H[3]H)	C[3x3](C[4x3,4,4]C[3,3,3x4]C[3,3]2C[3x3]C[3x4]C)(C[3,3,3x4]C[4x3,4,4]H[4,4]2H[3])(C[3,3]C[4x3,4,4]C[3x3]H3)(H[3]C[3,3,3x4])(H)2{1|H<2>,5|H<1>}	C[3,3](C[4x3,4,4]C[3,3,3x4]C[3,3]C[3x3]2C[3x4]C)(C[3x3]C[3,3,3x4]C[4x3,4,4]H[3]HH)(C[3x3]C[4x3,4,4]C[3,3]H[3]HH)(H)3{2|H<2>,3|H<1>}	H(C[3x3]C[3,3,3x4]C[4x3,4,4]C[3,3]H[3]H)	77.2028	16.752	2	77.2028	280.629	2	77.2028	280.629	2	77.2028	280.629	2	72.6700	176.041	4	117.5772	103.967	352
362	362	951	0:SPD6_SP-NON_SPD6	C[3x3]	C[3,3]	H	7:6:5:2:1:1:	7:6:6:1:1:1:	6:	C[4x3,4,4]-7:C[3,3]-6:C[3,3]-5:H[3]-2:H-1:H-1:	C[4x3,4,4]-7:C[3x3]-6:C[3x3]-6:H-1:H-1:H-1:	C[3x3]-6:	C[3x3](C[4x3,4,4]C[3,3,3x4]C[3,3]2C[3x3]C[3x4]C)(C[3,3]C[4x3,4,4]C[3x3]H3)(C[3,3]C[4x3,4,4]H[3]HH)(H[3]C[3,3])(H)2	C[3,3](C[4x3,4,4]C[3,3,3x4]C[3,3]C[3x3]2C[3x4]C)(C[3x3]C[3,3,3x4]C[4x3,4,4]H[3]HH)(C[3x3]C[4x3,4,4]C[3,3]H[3]HH)(H)3	H(C[3x3]C[4x3,4,4]C[3,3]2H[3]H)	C[3x3](C[4x3,4,4]C[3,3,3x4]C[3,3]2C[3x3]C[3x4]C)(C[3,3]C[4x3,4,4]C[3x3]H3)(C[3,3]C[4x3,4,4]H[3]HH)(H[3]C[3,3])(H)2{3|H<1>,3|H<2>}	C[3,3](C[4x3,4,4]C[3,3,3x4]C[3,3]C[3x3]2C[3x4]C)(C[3x3]C[3,3,3x4]C[4x3,4,4]H[3]HH)(C[3x3]C[4x3,4,4]C[3,3]H[3]HH)(H)3{2|H<2>,3|H<1>}	H(C[3x3]C[4x3,4,4]C[3,3]2H[3]H)	68.1371	12.857	2	68.1371	165.305	2	68.1371	165.305	2	68.1371	165.305	2	72.6700	176.041	4	117.5772	103.967	352
362	362	951	0:SPD6_SP-NON_SPD6	C[3x3]	C[3x3]	H	6:4:2:2:1:1:	6:4:2:2:1:1:	6:	C[3x3]-6:N[3]-4:H[3]-2:H[3]-2:H-1:H-1:	C[3x3]-6:N[3]-4:H[3]-2:H[3]-2:H-1:H-1:	C[3x3]-6:	C[3x3](C[3x3]H[3]2N[3]HH)(N[3]C[3x3]CC)(H[3]C[3x3])2(H)2	C[3x3](C[3x3]H[3]2N[3]HH)(N[3]C[3x3]CC)(H[3]C[3x3])2(H)2	H(C[3x3]C[3x3]H[3]2N[3]H)	C[3x3](C[3x3]H[3]2N[3]HH)(N[3]C[3x3]CC)(H[3]C[3x3])2(H)2	C[3x3](C[3x3]H[3]2N[3]HH)(N[3]C[3x3]CC)(H[3]C[3x3])2(H)2	H(C[3x3]C[3x3]H[3]2N[3]H)	125.1944	41.210	4	125.1944	1698.289	4	125.1944	1698.289	4	125.1944	1698.289	4	123.8413	834.234	10	117.5772	103.967	352
362	362	951	0:SPD6_SP-NON_SPD6	C[3x3]	C[3x3]	H	6:4:2:2:4:1:	6:4:2:2:4:1:	6:	C[3x3]-6:C[3]-4:H[3]-2:H[3]-2:C-4:H-1:	C[3x3]-6:C[3]-4:H[3]-2:H[3]-2:C-4:H-1:	C[3x3]-6:	C[3x3](C[3x3]C[3]H[3]2CH)(C[3]C[3x3]HH)(H[3]C[3x3])2(CH3)(H)	C[3x3](C[3x3]C[3]H[3]2CH)(C[3]C[3x3]HH)(H[3]C[3x3])2(CH3)(H)	H(C[3x3]C[3x3]C[3]H[3]2C)	C[3x3](C[3x3]C[3]H[3]2CH)(C[3]C[3x3]HH)(H[3]C[3x3])2(CH3)(H)	C[3x3](C[3x3]C[3]H[3]2CH)(C[3]C[3x3]HH)(H[3]C[3x3])2(CH3)(H)	H(C[3x3]C[3x3]C[3]H[3]2C)	118.4031	35.323	2	118.4031	1247.696	2	118.4031	1247.696	2	118.4031	1247.696	2	123.8413	834.234	10	117.5772	103.967	352
362	362	951	0:SPD6_SP-NON_SPD6	C[3x3]	C[3x3]	H	6:5:3:2:1:1:	7:5:6:3:1:1:	6:	C[3x3]-6:N[3x3]-5:H[3,3]-3:H[3]-2:H-1:H-1:	C[4x3]-7:N[3x3]-5:C[3x3]-6:H[3,3]-3:H-1:H-1:	C[3x3]-6:	C[3x3](C[3x3]C[4x3]H[3,3]N[3x3]HH)(N[3x3]C[3,3]C[3x3]C[4x3]C)(H[3,3]C[3x3]H[3])(H[3]H[3,3])(H)2	C[3x3](C[4x3]C[3,3]H[3,3]N[3x3]H[3]HH)(N[3x3]C[3,3]C[3x3]C[4x3]C)(C[3x3]H[3,3]N[3x3]H[3]HH)(H[3,3]C[3x3]H[3])(H)2	H(C[3x3]C[3x3]H[3,3]N[3x3]H[3]H)	C[3x3](C[3x3]C[4x3]H[3,3]N[3x3]HH)(N[3x3]C[3,3]C[3x3]C[4x3]C)(H[3,3]C[3x3]H[3])(H[3]H[3,3])(H)2{1|H<2>,1|H<3>,4|H<1>}	C[3x3](C[4x3]C[3,3]H[3,3]N[3x3]H[3]HH)(N[3x3]C[3,3]C[3x3]C[4x3]C)(C[3x3]H[3,3]N[3x3]H[3]HH)(H[3,3]C[3x3]H[3])(H)2{2|H<1>}	H(C[3x3]C[3x3]H[3,3]N[3x3]H[3]H)	125.1950	15.568	2	125.1950	242.352	2	125.1950	242.352	2	125.1950	242.352	2	123.8413	834.234	10	117.5772	103.967	352
362	362	951	0:SPD6_SP-NON_SPD6	C[3x3]	C[3x3]	H	7:5:6:3:1:1:	6:5:3:2:1:1:	6:	C[4x3]-7:N[3x3]-5:C[3x3]-6:H[3,3]-3:H-1:H-1:	C[3x3]-6:N[3x3]-5:H[3,3]-3:H[3]-2:H-1:H-1:	C[3x3]-6:	C[3x3](C[4x3]C[3,3]H[3,3]N[3x3]H[3]HH)(N[3x3]C[3,3]C[3x3]C[4x3]C)(C[3x3]H[3,3]N[3x3]H[3]HH)(H[3,3]C[3x3]H[3])(H)2	C[3x3](C[3x3]C[4x3]H[3,3]N[3x3]HH)(N[3x3]C[3,3]C[3x3]C[4x3]C)(H[3,3]C[3x3]H[3])(H[3]H[3,3])(H)2	H(C[3x3]C[3x3]C[4x3]H[3,3]N[3x3]H)	C[3x3](C[4x3]C[3,3]H[3,3]N[3x3]H[3]HH)(N[3x3]C[3,3]C[3x3]C[4x3]C)(C[3x3]H[3,3]N[3x3]H[3]HH)(H[3,3]C[3x3]H[3])(H)2{2|H<1>}	C[3x3](C[3x3]C[4x3]H[3,3]N[3x3]HH)(N[3x3]C[3,3]C[3x3]C[4x3]C)(H[3,3]C[3x3]H[3])(H[3]H[3,3])(H)2{1|H<2>,1|H<3>,4|H<1>}	H(C[3x3]C[3x3]C[4x3]H[3,3]N[3x3]H)	125.2195	29.142	2	125.2195	849.256	2	125.2195	849.256	2	125.2195	849.256	2	123.8413	834.234	10	117.5772	103.967	352
362	362	951	0:SPD6_SP-NON_SPD6	C[5x3,5x5,20x6]	C[5x3,5x5,20x6]	H	6:6:6:6:6:1:	5:6:6:6:6:6:	6:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:H-1:	C[3x3,3x5,12x6]-5:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:	C[5x3,5x5,20x6]-6:	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[3x3,3x5,12x6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(H)	C[5x3,5x5,20x6](C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[3x3,3x5,12x6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(H){1|B<5>,1|C<5>,3|B<6>,5|H<1>}	C[5x3,5x5,20x6](C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H){6|B<6>,9|H<1>}	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	116.9820	0.000	1	116.9820	0.000	1	116.9820	0.000	1	116.9820	0.000	1	118.7293	10.699	302	117.5772	103.967	352
362	362	951	0:SPD6_SP-NON_SPD6	C[5x3,5x5,20x6]	C[5x3,5x5,20x6]	H	6:6:6:6:6:1:	6:6:6:6:6:1:	6:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:H-1:	C[5x3,5x5,20x6]-6:	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6,6a]B[5x3,5x5,20x6]3H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6,6a]B[5x3,5x5,20x6]3H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(H)	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6,6a]B[5x3,5x5,20x6]3H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(H){1|B<6>,1|S<2>,4|H<1>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6,6a]B[5x3,5x5,20x6]3H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(H){1|B<6>,1|S<2>,4|H<1>}	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	121.5107	0.280	18	121.5107	0.078	18	119.1659	9.516	107	119.2187	9.260	111	118.7293	10.699	302	117.5772	103.967	352
362	362	951	0:SPD6_SP-NON_SPD6	C[5x3,5x5,20x6]	C[5x3,5x5,20x6]	H	6:6:6:6:6:1:	6:6:6:6:6:1:	6:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:H-1:	C[5x3,5x5,20x6]-6:	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(H)	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(H){1|B<6>,5|H<1>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(H){1|B<6>,5|H<1>}	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	116.2540	1.407	2	116.2540	1.980	2	119.1659	9.516	107	119.2187	9.260	111	118.7293	10.699	302	117.5772	103.967	352
362	362	951	0:SPD6_SP-NON_SPD6	C[5x3,5x5,20x6]	C[5x3,5x5,20x6]	H	6:6:6:6:6:1:	6:6:6:6:6:1:	6:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:H-1:	C[5x3,5x5,20x6]-6:	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(H)	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(H){1|B<6>,5|H<1>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(H){1|B<6>,5|H<1>}	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	120.6910	0.000	1	120.6910	0.000	1	119.1659	9.516	107	119.2187	9.260	111	118.7293	10.699	302	117.5772	103.967	352
362	362	951	0:SPD6_SP-NON_SPD6	C[5x3,5x5,20x6]	C[5x3,5x5,20x6]	H	6:6:6:6:6:1:	6:6:6:6:6:1:	6:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:H-1:	C[5x3,5x5,20x6]-6:	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[6a])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[6a])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(H)	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[6a])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(H){1|B<6>,2|C<3>,5|H<1>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[6a])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(H){1|B<6>,2|C<3>,5|H<1>}	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	115.6070	1.137	4	115.6070	1.292	4	119.1659	9.516	107	119.2187	9.260	111	118.7293	10.699	302	117.5772	103.967	352
362	362	951	0:SPD6_SP-NON_SPD6	C[5x3,5x5,20x6]	C[5x3,5x5,20x6]	H	6:6:6:6:6:1:	6:6:6:6:6:1:	6:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:H-1:	C[5x3,5x5,20x6]-6:	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]I)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]I)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(H)	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]I)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(H){1|B<6>,5|H<1>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]I)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(H){1|B<6>,5|H<1>}	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	110.2570	0.000	1	110.2570	0.000	1	119.1659	9.516	107	119.2187	9.260	111	118.7293	10.699	302	117.5772	103.967	352
362	362	951	0:SPD6_SP-NON_SPD6	C[5x3,5x5,20x6]	C[5x3,5x5,20x6]	H	6:6:6:6:6:1:	6:6:6:6:6:1:	6:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:H-1:	C[5x3,5x5,20x6]-6:	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]N)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4F)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]N)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4F)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(H)	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]N)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4F)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(H){1|B<6>,2|F<1>,3|H<1>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]N)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4F)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(H){1|B<6>,2|F<1>,3|H<1>}	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	121.0405	0.120	2	121.0405	0.014	2	119.1659	9.516	107	119.2187	9.260	111	118.7293	10.699	302	117.5772	103.967	352
362	362	951	0:SPD6_SP-NON_SPD6	C[5x3,5x5,20x6]	C[5x3,5x5,20x6]	H	6:6:6:6:6:1:	6:6:6:6:6:1:	6:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:H-1:	C[5x3,5x5,20x6]-6:	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]N)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]N)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(H)	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]N)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(H){1|B<6>,1|C<3>,4|H<1>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]N)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(H){1|B<6>,1|C<3>,4|H<1>}	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	121.1520	0.133	4	118.2915	9.831	22	119.1659	9.516	107	119.2187	9.260	111	118.7293	10.699	302	117.5772	103.967	352
362	362	951	0:SPD6_SP-NON_SPD6	C[5x3,5x5,20x6]	C[5x3,5x5,20x6]	H	6:6:6:6:6:1:	6:6:6:6:6:1:	6:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:H-1:	C[5x3,5x5,20x6]-6:	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]N)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]N)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(H)	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]N)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(H){1|B<6>,5|H<1>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]N)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(H){1|B<6>,5|H<1>}	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	117.6558	3.129	18	118.2915	9.831	22	119.1659	9.516	107	119.2187	9.260	111	118.7293	10.699	302	117.5772	103.967	352
362	362	951	0:SPD6_SP-NON_SPD6	C[5x3,5x5,20x6]	C[5x3,5x5,20x6]	H	6:6:6:6:6:1:	6:6:6:6:6:1:	6:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:H-1:	C[5x3,5x5,20x6]-6:	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]O)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]O)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(H)	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]O)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(H){1|B<6>,5|H<1>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]O)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(H){1|B<6>,5|H<1>}	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	115.4800	1.516	2	115.4800	2.298	2	119.1659	9.516	107	119.2187	9.260	111	118.7293	10.699	302	117.5772	103.967	352
362	362	951	0:SPD6_SP-NON_SPD6	C[5x3,5x5,20x6]	C[5x3,5x5,20x6]	H	6:6:6:6:6:1:	6:6:6:6:6:1:	6:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:H-1:	C[5x3,5x5,20x6]-6:	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(H)	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(H){1|B<6>,5|H<1>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(H){1|B<6>,1|C<3>,4|H<1>}	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	121.1335	0.769	2	121.1335	0.591	2	119.1659	9.516	107	119.2187	9.260	111	118.7293	10.699	302	117.5772	103.967	352
362	362	951	0:SPD6_SP-NON_SPD6	C[5x3,5x5,20x6]	C[5x3,5x5,20x6]	H	6:6:6:6:6:1:	6:6:6:6:6:1:	6:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:H-1:	C[5x3,5x5,20x6]-6:	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[6a])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(H)	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[6a])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(H){1|B<6>,1|N<3>,2|C<3>,4|H<1>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(H){1|B<6>,1|C<3>,4|H<1>}	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	121.8500	0.000	1	121.8500	0.000	1	119.1659	9.516	107	119.2187	9.260	111	118.7293	10.699	302	117.5772	103.967	352
362	362	951	0:SPD6_SP-NON_SPD6	C[5x3,5x5,20x6]	C[5x3,5x5,20x6]	H	6:6:6:6:6:1:	6:6:6:6:6:1:	6:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:H-1:	C[5x3,5x5,20x6]-6:	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4I)(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4I)(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(H)	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4I)(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(H){1|B<6>,1|I<1>,4|H<1>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4I)(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(H){1|B<6>,1|I<1>,4|H<1>}	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	114.1520	0.030	2	114.1520	0.001	2	119.1659	9.516	107	119.2187	9.260	111	118.7293	10.699	302	117.5772	103.967	352
362	362	951	0:SPD6_SP-NON_SPD6	C[5x3,5x5,20x6]	C[5x3,5x5,20x6]	H	6:6:6:6:6:1:	6:6:6:6:6:1:	6:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:H-1:	C[5x3,5x5,20x6]-6:	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(H)	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(H){1|B<6>,1|C<3>,4|H<1>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(H){1|B<6>,5|H<1>}	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	120.1530	1.254	2	120.1530	1.574	2	119.1659	9.516	107	119.2187	9.260	111	118.7293	10.699	302	117.5772	103.967	352
362	362	951	0:SPD6_SP-NON_SPD6	C[5x3,5x5,20x6]	C[5x3,5x5,20x6]	H	6:6:6:6:6:1:	6:6:6:6:6:1:	6:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:H-1:	C[5x3,5x5,20x6]-6:	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[6a])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(H)	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(H){1|B<6>,1|C<3>,4|H<1>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[6a])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(H){1|B<6>,1|N<3>,2|C<3>,4|H<1>}	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	120.6030	0.000	1	120.6030	0.000	1	119.1659	9.516	107	119.2187	9.260	111	118.7293	10.699	302	117.5772	103.967	352
362	362	951	0:SPD6_SP-NON_SPD6	C[5x3,5x5,20x6]	C[5x3,5x5,20x6]	H	6:6:6:6:6:1:	6:6:6:6:6:1:	6:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:H-1:	C[5x3,5x5,20x6]-6:	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(H)	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(H){1|B<6>,1|C<3>,4|H<1>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(H){1|B<6>,1|C<3>,4|H<1>}	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	120.9575	0.302	2	119.2754	9.465	45	119.1659	9.516	107	119.2187	9.260	111	118.7293	10.699	302	117.5772	103.967	352
362	362	951	0:SPD6_SP-NON_SPD6	C[5x3,5x5,20x6]	C[5x3,5x5,20x6]	H	6:6:6:6:6:1:	6:6:6:6:6:1:	6:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:H-1:	C[5x3,5x5,20x6]-6:	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(H)	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(H){1|B<6>,1|C<4>,4|H<1>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(H){1|B<6>,5|H<1>}	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	121.4210	0.000	1	119.2754	9.465	45	119.1659	9.516	107	119.2187	9.260	111	118.7293	10.699	302	117.5772	103.967	352
362	362	951	0:SPD6_SP-NON_SPD6	C[5x3,5x5,20x6]	C[5x3,5x5,20x6]	H	6:6:6:6:6:1:	6:6:6:6:6:1:	6:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:H-1:	C[5x3,5x5,20x6]-6:	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(H)	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(H){1|B<6>,1|I<1>,4|H<1>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(H){1|B<6>,1|I<1>,4|H<1>}	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	120.8210	0.057	2	119.2754	9.465	45	119.1659	9.516	107	119.2187	9.260	111	118.7293	10.699	302	117.5772	103.967	352
362	362	951	0:SPD6_SP-NON_SPD6	C[5x3,5x5,20x6]	C[5x3,5x5,20x6]	H	6:6:6:6:6:1:	6:6:6:6:6:1:	6:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:H-1:	C[5x3,5x5,20x6]-6:	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(H)	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(H){1|B<6>,1|N<3>,4|H<1>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(H){1|B<6>,5|H<1>}	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	114.3420	3.569	4	119.2754	9.465	45	119.1659	9.516	107	119.2187	9.260	111	118.7293	10.699	302	117.5772	103.967	352
362	362	951	0:SPD6_SP-NON_SPD6	C[5x3,5x5,20x6]	C[5x3,5x5,20x6]	H	6:6:6:6:6:1:	6:6:6:6:6:1:	6:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:H-1:	C[5x3,5x5,20x6]-6:	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(H)	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(H){1|B<6>,1|S<2>,4|H<1>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(H){1|B<6>,1|S<2>,4|H<1>}	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	120.5460	1.317	15	119.2754	9.465	45	119.1659	9.516	107	119.2187	9.260	111	118.7293	10.699	302	117.5772	103.967	352
362	362	951	0:SPD6_SP-NON_SPD6	C[5x3,5x5,20x6]	C[5x3,5x5,20x6]	H	6:6:6:6:6:1:	6:6:6:6:6:1:	6:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:H-1:	C[5x3,5x5,20x6]-6:	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(H)	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(H){1|B<6>,1|S<2>,4|H<1>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(H){1|B<6>,5|H<1>}	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	115.8590	0.000	1	119.2754	9.465	45	119.1659	9.516	107	119.2187	9.260	111	118.7293	10.699	302	117.5772	103.967	352
362	362	951	0:SPD6_SP-NON_SPD6	C[5x3,5x5,20x6]	C[5x3,5x5,20x6]	H	6:6:6:6:6:1:	6:6:6:6:6:1:	6:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:H-1:	C[5x3,5x5,20x6]-6:	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(H)	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(H){1|B<6>,1|S<3>,4|H<1>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(H){1|B<6>,1|S<3>,4|H<1>}	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	120.8963	0.903	4	119.2754	9.465	45	119.1659	9.516	107	119.2187	9.260	111	118.7293	10.699	302	117.5772	103.967	352
362	362	951	0:SPD6_SP-NON_SPD6	C[5x3,5x5,20x6]	C[5x3,5x5,20x6]	H	6:6:6:6:6:1:	6:6:6:6:6:1:	6:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:H-1:	C[5x3,5x5,20x6]-6:	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(H)	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(H){1|B<6>,1|S<3>,4|H<1>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(H){1|B<6>,5|H<1>}	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	120.4280	0.000	1	119.2754	9.465	45	119.1659	9.516	107	119.2187	9.260	111	118.7293	10.699	302	117.5772	103.967	352
362	362	951	0:SPD6_SP-NON_SPD6	C[5x3,5x5,20x6]	C[5x3,5x5,20x6]	H	6:6:6:6:6:1:	6:6:6:6:6:1:	6:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:H-1:	C[5x3,5x5,20x6]-6:	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(H)	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(H){1|B<6>,2|H<1>,3|C<3>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(H){1|B<6>,2|H<1>,3|C<3>}	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	121.0635	0.076	2	119.2754	9.465	45	119.1659	9.516	107	119.2187	9.260	111	118.7293	10.699	302	117.5772	103.967	352
362	362	951	0:SPD6_SP-NON_SPD6	C[5x3,5x5,20x6]	C[5x3,5x5,20x6]	H	6:6:6:6:6:1:	6:6:6:6:6:1:	6:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:H-1:	C[5x3,5x5,20x6]-6:	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(H)	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(H){1|B<6>,2|H<1>,3|I<1>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(H){1|B<6>,2|H<1>,3|I<1>}	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	120.7225	0.641	4	119.2754	9.465	45	119.1659	9.516	107	119.2187	9.260	111	118.7293	10.699	302	117.5772	103.967	352
362	362	951	0:SPD6_SP-NON_SPD6	C[5x3,5x5,20x6]	C[5x3,5x5,20x6]	H	6:6:6:6:6:1:	6:6:6:6:6:1:	6:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:H-1:	C[5x3,5x5,20x6]-6:	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(H)	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(H){1|B<6>,2|S<3>,3|H<1>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(H){1|B<6>,2|S<3>,3|H<1>}	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	121.0805	1.917	2	119.2754	9.465	45	119.1659	9.516	107	119.2187	9.260	111	118.7293	10.699	302	117.5772	103.967	352
362	362	951	0:SPD6_SP-NON_SPD6	C[5x3,5x5,20x6]	C[5x3,5x5,20x6]	H	6:6:6:6:6:1:	6:6:6:6:6:1:	6:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:H-1:	C[5x3,5x5,20x6]-6:	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(H)	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(H){1|B<6>,5|H<1>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(H){1|B<6>,1|C<4>,4|H<1>}	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	119.9140	0.000	1	119.2754	9.465	45	119.1659	9.516	107	119.2187	9.260	111	118.7293	10.699	302	117.5772	103.967	352
362	362	951	0:SPD6_SP-NON_SPD6	C[5x3,5x5,20x6]	C[5x3,5x5,20x6]	H	6:6:6:6:6:1:	6:6:6:6:6:1:	6:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:H-1:	C[5x3,5x5,20x6]-6:	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(H)	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(H){1|B<6>,5|H<1>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(H){1|B<6>,1|N<3>,4|H<1>}	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	114.2515	1.623	4	119.2754	9.465	45	119.1659	9.516	107	119.2187	9.260	111	118.7293	10.699	302	117.5772	103.967	352
362	362	951	0:SPD6_SP-NON_SPD6	C[5x3,5x5,20x6]	C[5x3,5x5,20x6]	H	6:6:6:6:6:1:	6:6:6:6:6:1:	6:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:H-1:	C[5x3,5x5,20x6]-6:	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(H)	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(H){1|B<6>,5|H<1>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(H){1|B<6>,1|S<2>,4|H<1>}	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	111.9850	0.000	1	119.2754	9.465	45	119.1659	9.516	107	119.2187	9.260	111	118.7293	10.699	302	117.5772	103.967	352
362	362	951	0:SPD6_SP-NON_SPD6	C[5x3,5x5,20x6]	C[5x3,5x5,20x6]	H	6:6:6:6:6:1:	6:6:6:6:6:1:	6:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:H-1:	C[5x3,5x5,20x6]-6:	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(H)	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(H){1|B<6>,5|H<1>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(H){1|B<6>,1|S<3>,4|H<1>}	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	120.9040	0.000	1	119.2754	9.465	45	119.1659	9.516	107	119.2187	9.260	111	118.7293	10.699	302	117.5772	103.967	352
362	362	951	0:SPD6_SP-NON_SPD6	C[5x3,5x5,20x6]	C[5x3,5x5,20x6]	H	6:6:6:6:6:1:	6:6:6:6:6:1:	6:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:H-1:	C[5x3,5x5,20x6]-6:	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]I)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]I)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(H)	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]I)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(H){1|B<6>,5|H<1>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]I)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(H){1|B<6>,5|H<1>}	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	120.7505	0.118	2	120.7505	0.014	2	119.1659	9.516	107	119.2187	9.260	111	118.7293	10.699	302	117.5772	103.967	352
362	362	951	0:SPD6_SP-NON_SPD6	C[5x3,5x5,20x6]	C[5x3,5x5,20x6]	H	6:6:6:6:6:1:	6:6:6:6:6:1:	6:	B[5x3,5x5,21x6]-6:B[5x3,5x5,21x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:H-1:	B[5x3,5x5,21x6]-6:C[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:H-1:	C[5x3,5x5,20x6]-6:	C[5x3,5x5,20x6](B[5x3,5x5,21x6]B[5x3,5x5,20x6]2B[5x3,5x5,21x6]C[5x3,5x5,20x6]C[6])(B[5x3,5x5,21x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]C[6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(C[5x3,5x5,20x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]H)(H)	C[5x3,5x5,20x6](B[5x3,5x5,21x6]B[5x3,5x5,20x6]2B[5x3,5x5,21x6]C[5x3,5x5,20x6]C[6])(C[5x3,5x5,20x6]B[5x3,5x5,20x6]2B[5x3,5x5,21x6]2H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(H)	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]2B[5x3,5x5,21x6]2C[5x3,5x5,20x6])	C[5x3,5x5,20x6](B[5x3,5x5,21x6]B[5x3,5x5,20x6]2B[5x3,5x5,21x6]C[5x3,5x5,20x6]C[6])(B[5x3,5x5,21x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]C[6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(C[5x3,5x5,20x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]H)(H){1|B<6>,4|C<3>,5|H<1>}	C[5x3,5x5,20x6](B[5x3,5x5,21x6]B[5x3,5x5,20x6]2B[5x3,5x5,21x6]C[5x3,5x5,20x6]C[6])(C[5x3,5x5,20x6]B[5x3,5x5,20x6]2B[5x3,5x5,21x6]2H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(H){1|B<6>,3|C<3>,4|H<1>}	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]2B[5x3,5x5,21x6]2C[5x3,5x5,20x6])	120.1510	0.382	2	120.1510	0.146	2	120.1510	0.146	2	119.2187	9.260	111	118.7293	10.699	302	117.5772	103.967	352
362	362	951	0:SPD6_SP-NON_SPD6	C[5x3,5x5,20x6]	C[5x3,5x5,20x6]	H	6:6:6:6:6:1:	6:6:6:6:6:1:	6:	B[5x3,5x5,21x6]-6:C[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:H-1:	B[5x3,5x5,21x6]-6:B[5x3,5x5,21x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:H-1:	C[5x3,5x5,20x6]-6:	C[5x3,5x5,20x6](B[5x3,5x5,21x6]B[5x3,5x5,20x6]2B[5x3,5x5,21x6]C[5x3,5x5,20x6]C[6])(C[5x3,5x5,20x6]B[5x3,5x5,20x6]2B[5x3,5x5,21x6]2H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(H)	C[5x3,5x5,20x6](B[5x3,5x5,21x6]B[5x3,5x5,20x6]2B[5x3,5x5,21x6]C[5x3,5x5,20x6]C[6])(B[5x3,5x5,21x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]C[6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(C[5x3,5x5,20x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]H)(H)	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]C[5x3,5x5,20x6])	C[5x3,5x5,20x6](B[5x3,5x5,21x6]B[5x3,5x5,20x6]2B[5x3,5x5,21x6]C[5x3,5x5,20x6]C[6])(C[5x3,5x5,20x6]B[5x3,5x5,20x6]2B[5x3,5x5,21x6]2H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(H){1|B<6>,3|C<3>,4|H<1>}	C[5x3,5x5,20x6](B[5x3,5x5,21x6]B[5x3,5x5,20x6]2B[5x3,5x5,21x6]C[5x3,5x5,20x6]C[6])(B[5x3,5x5,21x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]C[6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(C[5x3,5x5,20x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]H)(H){1|B<6>,4|C<3>,5|H<1>}	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]C[5x3,5x5,20x6])	121.1100	0.759	2	121.1100	0.577	2	121.1100	0.577	2	119.2187	9.260	111	118.7293	10.699	302	117.5772	103.967	352
362	362	951	0:SPD6_SP-NON_SPD6	C[5x3,5x5,20x6]	C[5x3,5x5,20x6]	H	6:6:6:6:6:1:	6:6:6:6:6:2:	6:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:N-2:	C[5x3,5x5,20x6]-6:	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4N)(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(NN)	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4N)(H){1|B<6>,5|H<1>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(NN){1|B<6>,5|H<1>}	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	118.6898	3.047	4	118.6898	9.283	4	120.5769	27.282	7	120.5615	12.840	15	118.7293	10.699	302	117.5772	103.967	352
362	362	951	0:SPD6_SP-NON_SPD6	C[5x3,5x5,20x6]	C[5x3,5x5,20x6]	H	6:6:6:6:6:1:	6:6:6:6:6:2:	6:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:N-2:	C[5x3,5x5,20x6]-6:	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]Ir)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4N)(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]Ir)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(NN)	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]Ir)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4N)(H){1|B<6>,5|H<1>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]Ir)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(NN){1|B<6>,5|H<1>}	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	125.7375	7.787	2	125.7375	60.643	2	120.5769	27.282	7	120.5615	12.840	15	118.7293	10.699	302	117.5772	103.967	352
362	362	951	0:SPD6_SP-NON_SPD6	C[5x3,5x5,20x6]	C[5x3,5x5,20x6]	H	6:6:6:6:6:1:	6:6:6:6:6:2:	6:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:N-2:	C[5x3,5x5,20x6]-6:	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]Rh)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4N)(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]Rh)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(NN)	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]Rh)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4N)(H){1|B<6>,5|H<1>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]Rh)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(NN){1|B<6>,5|H<1>}	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	117.8040	0.000	1	117.8040	0.000	1	120.5769	27.282	7	120.5615	12.840	15	118.7293	10.699	302	117.5772	103.967	352
362	362	951	0:SPD6_SP-NON_SPD6	C[5x3,5x5,20x6]	C[5x3,5x5,20x6]	H	6:6:6:6:6:1:	6:6:6:6:6:2:	6:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:O-2:	C[5x3,5x5,20x6]-6:	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4O)(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(OC)	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4O)(H){1|B<6>,5|H<1>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(OC){1|B<6>,5|H<1>}	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	120.5980	0.000	1	120.5980	0.000	1	120.5980	0.000	1	120.5615	12.840	15	118.7293	10.699	302	117.5772	103.967	352
362	362	951	0:SPD6_SP-NON_SPD6	C[5x3,5x5,20x6]	C[5x3,5x5,20x6]	H	6:6:6:6:6:1:	6:6:6:6:6:2:	6:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:S-2:	C[5x3,5x5,20x6]-6:	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4S)(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(SC)	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4S)(H){1|B<6>,5|H<1>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(SC){1|B<6>,5|H<1>}	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	121.1500	0.000	1	121.1500	0.000	1	120.5410	2.676	7	120.5615	12.840	15	118.7293	10.699	302	117.5772	103.967	352
362	362	951	0:SPD6_SP-NON_SPD6	C[5x3,5x5,20x6]	C[5x3,5x5,20x6]	H	6:6:6:6:6:1:	6:6:6:6:6:2:	6:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:S-2:	C[5x3,5x5,20x6]-6:	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4S)(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(SRu)	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4S)(H){1|B<6>,5|H<1>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(SRu){1|B<6>,5|H<1>}	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	121.8520	0.000	1	121.8520	0.000	1	120.5410	2.676	7	120.5615	12.840	15	118.7293	10.699	302	117.5772	103.967	352
362	362	951	0:SPD6_SP-NON_SPD6	C[5x3,5x5,20x6]	C[5x3,5x5,20x6]	H	6:6:6:6:6:1:	6:6:6:6:6:2:	6:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:S-2:	C[5x3,5x5,20x6]-6:	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4S)(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(SS)	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4S)(H){1|B<6>,5|H<1>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(SS){1|B<6>,5|H<1>}	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	120.9675	0.176	4	120.9675	0.031	4	120.5410	2.676	7	120.5615	12.840	15	118.7293	10.699	302	117.5772	103.967	352
362	362	951	0:SPD6_SP-NON_SPD6	C[5x3,5x5,20x6]	C[5x3,5x5,20x6]	H	6:6:6:6:6:1:	6:6:6:6:6:2:	6:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:S-2:	C[5x3,5x5,20x6]-6:	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]Ir)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4S)(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]Ir)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(SC[6])	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]Ir)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4S)(H){1|B<6>,5|H<1>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]Ir)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(SC[6]){1|B<6>,5|H<1>}	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	116.9150	0.000	1	116.9150	0.000	1	120.5410	2.676	7	120.5615	12.840	15	118.7293	10.699	302	117.5772	103.967	352
362	362	951	0:SPD6_SP-NON_SPD6	C[5x3,5x5,20x6]	C[5x3,5x5,20x6]	H	6:6:6:6:6:1:	6:6:6:6:6:3:	6:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:B-3:	C[5x3,5x5,20x6]-6:	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4B)(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(BC[6a]2)	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4B)(H){1|B<6>,5|H<1>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(BC[6a]2){1|B<6>,5|H<1>}	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	117.4110	0.000	1	117.4110	0.000	1	117.4110	0.000	1	117.5786	14.183	90	118.7293	10.699	302	117.5772	103.967	352
362	362	951	0:SPD6_SP-NON_SPD6	C[5x3,5x5,20x6]	C[5x3,5x5,20x6]	H	6:6:6:6:6:1:	6:6:6:6:6:3:	6:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C-3:	C[5x3,5x5,20x6]-6:	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CB[3x3,3x5,12x6]H)	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(H){1|B<6>,5|H<1>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CB[3x3,3x5,12x6]H){1|B<6>,5|H<1>}	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	120.0790	0.000	1	120.0790	0.000	1	118.5158	13.548	46	117.5786	14.183	90	118.7293	10.699	302	117.5772	103.967	352
362	362	951	0:SPD6_SP-NON_SPD6	C[5x3,5x5,20x6]	C[5x3,5x5,20x6]	H	6:6:6:6:6:1:	6:6:6:6:6:3:	6:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C-3:	C[5x3,5x5,20x6]-6:	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CCC)	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(H){1|B<6>,5|H<1>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CCC){1|B<6>,5|H<1>}	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	120.0326	0.200	8	120.0326	0.040	8	118.5158	13.548	46	117.5786	14.183	90	118.7293	10.699	302	117.5772	103.967	352
362	362	951	0:SPD6_SP-NON_SPD6	C[5x3,5x5,20x6]	C[5x3,5x5,20x6]	H	6:6:6:6:6:1:	6:6:6:6:6:3:	6:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C-3:	C[5x3,5x5,20x6]-6:	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CCH)	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(H){1|B<6>,5|H<1>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CCH){1|B<6>,5|H<1>}	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	117.6005	5.338	2	117.6005	28.494	2	118.5158	13.548	46	117.5786	14.183	90	118.7293	10.699	302	117.5772	103.967	352
362	362	951	0:SPD6_SP-NON_SPD6	C[5x3,5x5,20x6]	C[5x3,5x5,20x6]	H	6:6:6:6:6:1:	6:6:6:6:6:3:	6:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C-3:	C[5x3,5x5,20x6]-6:	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CCN)	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(H){1|B<6>,5|H<1>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CCN){1|B<6>,5|H<1>}	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	119.5510	0.000	1	119.5510	0.000	1	118.5158	13.548	46	117.5786	14.183	90	118.7293	10.699	302	117.5772	103.967	352
362	362	951	0:SPD6_SP-NON_SPD6	C[5x3,5x5,20x6]	C[5x3,5x5,20x6]	H	6:6:6:6:6:1:	6:6:6:6:6:3:	6:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C-3:	C[5x3,5x5,20x6]-6:	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CC[6a]C)	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(H){1|B<6>,5|H<1>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CC[6a]C){1|B<6>,5|H<1>}	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	115.3990	0.847	2	115.3990	0.718	2	118.5158	13.548	46	117.5786	14.183	90	118.7293	10.699	302	117.5772	103.967	352
362	362	951	0:SPD6_SP-NON_SPD6	C[5x3,5x5,20x6]	C[5x3,5x5,20x6]	H	6:6:6:6:6:1:	6:6:6:6:6:3:	6:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C-3:	C[5x3,5x5,20x6]-6:	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CC[6a]O)	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(H){1|B<6>,5|H<1>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CC[6a]O){1|B<6>,5|H<1>}	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	112.1970	0.000	1	112.1970	0.000	1	118.5158	13.548	46	117.5786	14.183	90	118.7293	10.699	302	117.5772	103.967	352
362	362	951	0:SPD6_SP-NON_SPD6	C[5x3,5x5,20x6]	C[5x3,5x5,20x6]	H	6:6:6:6:6:1:	6:6:6:6:6:3:	6:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C-3:	C[5x3,5x5,20x6]-6:	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CHN)	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(H){1|B<6>,5|H<1>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CHN){1|B<6>,5|H<1>}	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	120.1240	0.341	2	120.1240	0.116	2	118.5158	13.548	46	117.5786	14.183	90	118.7293	10.699	302	117.5772	103.967	352
362	362	951	0:SPD6_SP-NON_SPD6	C[5x3,5x5,20x6]	C[5x3,5x5,20x6]	H	6:6:6:6:6:1:	6:6:6:6:6:3:	6:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C-3:	C[5x3,5x5,20x6]-6:	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CNN)	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(H){1|B<6>,5|H<1>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CNN){1|B<6>,5|H<1>}	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	112.4870	0.129	2	112.4870	0.017	2	118.5158	13.548	46	117.5786	14.183	90	118.7293	10.699	302	117.5772	103.967	352
362	362	951	0:SPD6_SP-NON_SPD6	C[5x3,5x5,20x6]	C[5x3,5x5,20x6]	H	6:6:6:6:6:1:	6:6:6:6:6:3:	6:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C-3:	C[5x3,5x5,20x6]-6:	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CNO)	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(H){1|B<6>,5|H<1>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CNO){1|B<6>,5|H<1>}	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	120.4590	0.222	5	120.4590	0.049	5	118.5158	13.548	46	117.5786	14.183	90	118.7293	10.699	302	117.5772	103.967	352
362	362	951	0:SPD6_SP-NON_SPD6	C[5x3,5x5,20x6]	C[5x3,5x5,20x6]	H	6:6:6:6:6:1:	6:6:6:6:6:3:	6:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C-3:	C[5x3,5x5,20x6]-6:	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CNS)	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(H){1|B<6>,5|H<1>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CNS){1|B<6>,5|H<1>}	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	118.6320	1.429	3	118.6320	2.041	3	118.5158	13.548	46	117.5786	14.183	90	118.7293	10.699	302	117.5772	103.967	352
362	362	951	0:SPD6_SP-NON_SPD6	C[5x3,5x5,20x6]	C[5x3,5x5,20x6]	H	6:6:6:6:6:1:	6:6:6:6:6:3:	6:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C-3:	C[5x3,5x5,20x6]-6:	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(COO)	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(H){1|B<6>,1|I<1>,4|H<1>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(COO){1|B<6>,1|I<1>,4|H<1>}	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	114.5760	0.000	1	119.5404	16.722	7	118.5158	13.548	46	117.5786	14.183	90	118.7293	10.699	302	117.5772	103.967	352
362	362	951	0:SPD6_SP-NON_SPD6	C[5x3,5x5,20x6]	C[5x3,5x5,20x6]	H	6:6:6:6:6:1:	6:6:6:6:6:3:	6:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C-3:	C[5x3,5x5,20x6]-6:	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(COO)	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(H){1|B<6>,5|H<1>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(COO){1|B<6>,5|H<1>}	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	120.3678	3.784	6	119.5404	16.722	7	118.5158	13.548	46	117.5786	14.183	90	118.7293	10.699	302	117.5772	103.967	352
362	362	951	0:SPD6_SP-NON_SPD6	C[5x3,5x5,20x6]	C[5x3,5x5,20x6]	H	6:6:6:6:6:1:	6:6:6:6:6:3:	6:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C-3:	C[5x3,5x5,20x6]-6:	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CSS)	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(H){1|B<6>,5|H<1>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CSS){1|B<6>,5|H<1>}	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	113.4873	3.488	3	113.4873	12.167	3	118.5158	13.548	46	117.5786	14.183	90	118.7293	10.699	302	117.5772	103.967	352
362	362	951	0:SPD6_SP-NON_SPD6	C[5x3,5x5,20x6]	C[5x3,5x5,20x6]	H	6:6:6:6:6:1:	6:6:6:6:6:3:	6:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C-3:	C[5x3,5x5,20x6]-6:	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]Ir)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]Ir)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CNS)	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]Ir)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(H){1|B<6>,5|H<1>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]Ir)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CNS){1|B<6>,5|H<1>}	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	122.3035	1.514	2	122.3035	2.292	2	118.5158	13.548	46	117.5786	14.183	90	118.7293	10.699	302	117.5772	103.967	352
362	362	951	0:SPD6_SP-NON_SPD6	C[5x3,5x5,20x6]	C[5x3,5x5,20x6]	H	6:6:6:6:6:1:	6:6:6:6:6:3:	6:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C-3:	C[5x3,5x5,20x6]-6:	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]Ir)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]Ir)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CSS)	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]Ir)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(H){1|B<6>,5|H<1>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]Ir)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CSS){1|B<6>,5|H<1>}	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	116.6567	2.758	6	116.6567	7.609	6	118.5158	13.548	46	117.5786	14.183	90	118.7293	10.699	302	117.5772	103.967	352
362	362	951	0:SPD6_SP-NON_SPD6	C[5x3,5x5,20x6]	C[5x3,5x5,20x6]	H	6:6:6:6:6:1:	6:6:6:6:6:3:	6:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C-3:	C[5x3,5x5,20x6]-6:	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]Rh)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]Rh)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CNS)	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]Rh)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(H){1|B<6>,5|H<1>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]Rh)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CNS){1|B<6>,5|H<1>}	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	128.4340	0.000	1	128.4340	0.000	1	118.5158	13.548	46	117.5786	14.183	90	118.7293	10.699	302	117.5772	103.967	352
362	362	951	0:SPD6_SP-NON_SPD6	C[5x3,5x5,20x6]	C[5x3,5x5,20x6]	H	6:6:6:6:6:1:	6:6:6:6:6:3:	6:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:P-3:	C[5x3,5x5,20x6]-6:	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4P)(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(PC[5]Cl)	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4P)(H){1|B<6>,5|H<1>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(PC[5]Cl){1|B<6>,5|H<1>}	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	114.7575	2.309	2	114.7575	5.330	2	113.2666	8.915	10	117.5786	14.183	90	118.7293	10.699	302	117.5772	103.967	352
362	362	951	0:SPD6_SP-NON_SPD6	C[5x3,5x5,20x6]	C[5x3,5x5,20x6]	H	6:6:6:6:6:1:	6:6:6:6:6:3:	6:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:P-3:	C[5x3,5x5,20x6]-6:	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4P)(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(PC[5]H)	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4P)(H){1|B<6>,5|H<1>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(PC[5]H){1|B<6>,5|H<1>}	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	113.3810	0.000	1	113.3810	0.000	1	113.2666	8.915	10	117.5786	14.183	90	118.7293	10.699	302	117.5772	103.967	352
362	362	951	0:SPD6_SP-NON_SPD6	C[5x3,5x5,20x6]	C[5x3,5x5,20x6]	H	6:6:6:6:6:1:	6:6:6:6:6:3:	6:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:P-3:	C[5x3,5x5,20x6]-6:	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4P)(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(PC[5]N)	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4P)(H){1|B<6>,5|H<1>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(PC[5]N){1|B<6>,5|H<1>}	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	114.8905	5.734	2	114.8905	32.878	2	113.2666	8.915	10	117.5786	14.183	90	118.7293	10.699	302	117.5772	103.967	352
362	362	951	0:SPD6_SP-NON_SPD6	C[5x3,5x5,20x6]	C[5x3,5x5,20x6]	H	6:6:6:6:6:1:	6:6:6:6:6:3:	6:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:P-3:	C[5x3,5x5,20x6]-6:	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4P)(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(PC[5]O)	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4P)(H){1|B<6>,5|H<1>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(PC[5]O){1|B<6>,5|H<1>}	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	112.9693	1.337	4	112.9693	1.789	4	113.2666	8.915	10	117.5786	14.183	90	118.7293	10.699	302	117.5772	103.967	352
362	362	951	0:SPD6_SP-NON_SPD6	C[5x3,5x5,20x6]	C[5x3,5x5,20x6]	H	6:6:6:6:6:1:	6:6:6:6:6:3:	6:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:P-3:	C[5x3,5x5,20x6]-6:	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4P)(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(PC[6a]2)	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4P)(H){1|B<6>,5|H<1>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(PC[6a]2){1|B<6>,5|H<1>}	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	108.1120	0.000	1	108.1120	0.000	1	113.2666	8.915	10	117.5786	14.183	90	118.7293	10.699	302	117.5772	103.967	352
362	362	951	0:SPD6_SP-NON_SPD6	C[5x3,5x5,20x6]	C[5x3,5x5,20x6]	H	6:6:6:6:6:1:	6:6:6:6:6:3:	6:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:S-3:	C[5x3,5x5,20x6]-6:	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]Os)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4S)(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]Os)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4Os)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(SOsC)	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]Os)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4S)(H){1|Os<6>,1|B<6>,4|H<1>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]Os)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4Os)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(SOsC){1|B<6>,5|H<1>}	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	112.8595	4.994	2	115.7870	38.182	3	115.7870	38.182	3	117.5786	14.183	90	118.7293	10.699	302	117.5772	103.967	352
362	362	951	0:SPD6_SP-NON_SPD6	C[5x3,5x5,20x6]	C[5x3,5x5,20x6]	H	6:6:6:6:6:1:	6:6:6:6:6:3:	6:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:S-3:	C[5x3,5x5,20x6]-6:	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]Os)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4S)(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]Os)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4Os)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(SOsC)	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]Os)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4S)(H){1|Os<7>,1|B<6>,4|H<1>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]Os)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4Os)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(SOsC){1|B<6>,5|H<1>}	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	121.6420	0.000	1	115.7870	38.182	3	115.7870	38.182	3	117.5786	14.183	90	118.7293	10.699	302	117.5772	103.967	352
362	362	951	0:SPD6_SP-NON_SPD6	C[5x3,5x5,20x6]	C[5x3,5x5,20x6]	H	6:6:6:6:6:1:	6:6:6:6:6:3:	6:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:B[5a]-3:	C[5x3,5x5,20x6]-6:	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4B[5a])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(B[5a]N[5a]2)	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4B[5a])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(H){1|B<6>,2|N<3>,5|H<1>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(B[5a]N[5a]2){1|B<6>,4|C<3>,5|H<1>}	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	116.0460	0.000	1	116.0460	0.000	1	116.0460	0.000	1	117.5786	14.183	90	118.7293	10.699	302	117.5772	103.967	352
362	362	951	0:SPD6_SP-NON_SPD6	C[5x3,5x5,20x6]	C[5x3,5x5,20x6]	H	6:6:6:6:6:1:	6:6:6:6:6:3:	6:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C[5]-3:	C[5x3,5x5,20x6]-6:	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[5]C[5,6a]C[5])	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(H){1|B<6>,2|C<3>,5|H<1>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[5]C[5,6a]C[5]){1|B<6>,1|C<4>,2|C<3>,6|H<1>}	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	119.4410	0.000	1	119.4410	0.000	1	119.4410	0.000	1	117.5786	14.183	90	118.7293	10.699	302	117.5772	103.967	352
362	362	951	0:SPD6_SP-NON_SPD6	C[5x3,5x5,20x6]	C[5x3,5x5,20x6]	H	6:6:6:6:6:1:	6:6:6:6:6:3:	6:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C[5a]-3:	C[5x3,5x5,20x6]-6:	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5a])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[5a]C[5a]2)	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5a])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(H){1|B<6>,2|C<3>,5|H<1>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[5a]C[5a]2){1|B<6>,1|C<3>,1|N<3>,7|H<1>}	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	120.5310	0.000	1	120.5310	0.000	1	120.2920	0.114	2	117.5786	14.183	90	118.7293	10.699	302	117.5772	103.967	352
362	362	951	0:SPD6_SP-NON_SPD6	C[5x3,5x5,20x6]	C[5x3,5x5,20x6]	H	6:6:6:6:6:1:	6:6:6:6:6:3:	6:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C[5a]-3:	C[5x3,5x5,20x6]-6:	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5a])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[5a]N[5a]S[5a])	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5a])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(H){1|B<6>,1|N<2>,1|S<2>,5|H<1>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[5a]N[5a]S[5a]){1|B<6>,2|C<3>,5|H<1>}	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	120.0530	0.000	1	120.0530	0.000	1	120.2920	0.114	2	117.5786	14.183	90	118.7293	10.699	302	117.5772	103.967	352
362	362	951	0:SPD6_SP-NON_SPD6	C[5x3,5x5,20x6]	C[5x3,5x5,20x6]	H	6:6:6:6:6:1:	6:6:6:6:6:3:	6:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C[6]-3:	C[5x3,5x5,20x6]-6:	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[6]C[6]2)	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(H){1|B<6>,2|C<3>,5|H<1>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[6]C[6]2){1|B<6>,1|C<3>,1|N<3>,7|H<1>}	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	122.4440	0.000	1	122.4440	0.000	1	122.4440	0.000	1	117.5786	14.183	90	118.7293	10.699	302	117.5772	103.967	352
362	362	951	0:SPD6_SP-NON_SPD6	C[5x3,5x5,20x6]	C[5x3,5x5,20x6]	H	6:6:6:6:6:1:	6:6:6:6:6:3:	6:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C[6a]-3:	C[5x3,5x5,20x6]-6:	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]Br)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[6a])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]Br)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[6a]C[6a]2)	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]Br)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[6a])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(H){1|B<6>,2|C<3>,5|H<1>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]Br)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[6a]C[6a]2){1|B<6>,2|C<3>,7|H<1>}	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	119.9580	0.000	1	119.9580	0.000	1	117.3760	8.946	25	117.5786	14.183	90	118.7293	10.699	302	117.5772	103.967	352
362	362	951	0:SPD6_SP-NON_SPD6	C[5x3,5x5,20x6]	C[5x3,5x5,20x6]	H	6:6:6:6:6:1:	6:6:6:6:6:3:	6:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C[6a]-3:	C[5x3,5x5,20x6]-6:	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[6a])2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[6a])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[6a])2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[6a]C[6a]2)	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[6a])2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[6a])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(H){1|B<6>,5|H<1>,6|C<3>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[6a])2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[6a]C[6a]2){1|B<6>,6|C<3>,7|H<1>}	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	118.7880	0.000	1	118.7880	0.000	1	117.3760	8.946	25	117.5786	14.183	90	118.7293	10.699	302	117.5772	103.967	352
362	362	951	0:SPD6_SP-NON_SPD6	C[5x3,5x5,20x6]	C[5x3,5x5,20x6]	H	6:6:6:6:6:1:	6:6:6:6:6:3:	6:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C[6a]-3:	C[5x3,5x5,20x6]-6:	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]O)(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[6a])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]O)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[6a]C[6a]N[6a])	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]O)(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[6a])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(H){1|B<6>,1|C<3>,1|N<2>,5|H<1>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]O)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[6a]C[6a]N[6a]){1|B<6>,2|C<3>,6|H<1>}	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	119.8180	0.373	2	119.8180	0.139	2	117.3760	8.946	25	117.5786	14.183	90	118.7293	10.699	302	117.5772	103.967	352
362	362	951	0:SPD6_SP-NON_SPD6	C[5x3,5x5,20x6]	C[5x3,5x5,20x6]	H	6:6:6:6:6:1:	6:6:6:6:6:3:	6:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C[6a]-3:	C[5x3,5x5,20x6]-6:	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[6a])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4O)(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[6a]C[6a]2)	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[6a])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4O)(H){1|B<6>,2|C<3>,5|H<1>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[6a]C[6a]2){1|B<6>,1|O<2>,2|C<3>,6|H<1>}	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	119.7245	0.084	2	119.7245	0.007	2	117.3760	8.946	25	117.5786	14.183	90	118.7293	10.699	302	117.5772	103.967	352
362	362	951	0:SPD6_SP-NON_SPD6	C[5x3,5x5,20x6]	C[5x3,5x5,20x6]	H	6:6:6:6:6:1:	6:6:6:6:6:3:	6:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C[6a]-3:	C[5x3,5x5,20x6]-6:	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[6a])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[6a])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[6a]C[6a]2)	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[6a])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(H){1|B<6>,3|C<3>,4|H<1>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[6a])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[6a]C[6a]2){1|B<6>,4|C<3>,7|H<1>}	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	120.2080	0.000	1	120.2080	0.000	1	117.3760	8.946	25	117.5786	14.183	90	118.7293	10.699	302	117.5772	103.967	352
362	362	951	0:SPD6_SP-NON_SPD6	C[5x3,5x5,20x6]	C[5x3,5x5,20x6]	H	6:6:6:6:6:1:	6:6:6:6:6:3:	6:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C[6a]-3:	C[5x3,5x5,20x6]-6:	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[6a])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4O)(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[6a]C[6a]2)	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[6a])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(H){1|B<6>,1|O<2>,2|C<3>,4|H<1>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4O)(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[6a]C[6a]2){1|B<6>,2|C<3>,7|H<1>}	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	120.7990	0.000	1	120.7990	0.000	1	117.3760	8.946	25	117.5786	14.183	90	118.7293	10.699	302	117.5772	103.967	352
362	362	951	0:SPD6_SP-NON_SPD6	C[5x3,5x5,20x6]	C[5x3,5x5,20x6]	H	6:6:6:6:6:1:	6:6:6:6:6:3:	6:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C[6a]-3:	C[5x3,5x5,20x6]-6:	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[6a])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[6a]C[6a,6a]2)	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[6a])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(H){1|B<6>,2|C<3>,5|H<1>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[6a]C[6a,6a]2){1|B<6>,4|C<3>,5|H<1>}	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	114.3610	0.000	1	114.3610	0.000	1	117.3760	8.946	25	117.5786	14.183	90	118.7293	10.699	302	117.5772	103.967	352
362	362	951	0:SPD6_SP-NON_SPD6	C[5x3,5x5,20x6]	C[5x3,5x5,20x6]	H	6:6:6:6:6:1:	6:6:6:6:6:3:	6:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C[6a]-3:	C[5x3,5x5,20x6]-6:	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[6a])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[6a]C[6a]2)	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[6a])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(H){1|B<6>,2|C<3>,2|H<1>,3|I<1>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[6a]C[6a]2){1|B<6>,2|C<3>,3|I<1>,4|H<1>}	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	119.2160	0.000	1	116.3908	6.813	12	117.3760	8.946	25	117.5786	14.183	90	118.7293	10.699	302	117.5772	103.967	352
362	362	951	0:SPD6_SP-NON_SPD6	C[5x3,5x5,20x6]	C[5x3,5x5,20x6]	H	6:6:6:6:6:1:	6:6:6:6:6:3:	6:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C[6a]-3:	C[5x3,5x5,20x6]-6:	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[6a])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[6a]C[6a]2)	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[6a])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(H){1|B<6>,2|C<3>,5|H<1>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[6a]C[6a]2){1|B<6>,1|C<3>,1|N<2>,7|H<1>}	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	114.6590	0.000	1	116.3908	6.813	12	117.3760	8.946	25	117.5786	14.183	90	118.7293	10.699	302	117.5772	103.967	352
362	362	951	0:SPD6_SP-NON_SPD6	C[5x3,5x5,20x6]	C[5x3,5x5,20x6]	H	6:6:6:6:6:1:	6:6:6:6:6:3:	6:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C[6a]-3:	C[5x3,5x5,20x6]-6:	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[6a])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[6a]C[6a]2)	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[6a])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(H){1|B<6>,2|C<3>,5|H<1>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[6a]C[6a]2){1|B<6>,2|C<3>,2|F<1>,5|H<1>}	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	116.9810	0.000	1	116.3908	6.813	12	117.3760	8.946	25	117.5786	14.183	90	118.7293	10.699	302	117.5772	103.967	352
362	362	951	0:SPD6_SP-NON_SPD6	C[5x3,5x5,20x6]	C[5x3,5x5,20x6]	H	6:6:6:6:6:1:	6:6:6:6:6:3:	6:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C[6a]-3:	C[5x3,5x5,20x6]-6:	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[6a])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[6a]C[6a]2)	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[6a])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(H){1|B<6>,2|C<3>,5|H<1>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[6a]C[6a]2){1|B<6>,2|C<3>,7|H<1>}	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	116.2038	2.813	9	116.3908	6.813	12	117.3760	8.946	25	117.5786	14.183	90	118.7293	10.699	302	117.5772	103.967	352
362	362	951	0:SPD6_SP-NON_SPD6	C[5x3,5x5,20x6]	C[5x3,5x5,20x6]	H	6:6:6:6:6:1:	6:6:6:6:6:3:	6:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C[6a]-3:	C[5x3,5x5,20x6]-6:	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[6a])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[6a]C[6a]N[6a])	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[6a])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(H){1|B<6>,1|C<3>,1|N<2>,5|H<1>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[6a]C[6a]N[6a]){1|B<6>,2|C<3>,6|H<1>}	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	115.0210	4.827	3	115.0210	23.299	3	117.3760	8.946	25	117.5786	14.183	90	118.7293	10.699	302	117.5772	103.967	352
362	362	951	0:SPD6_SP-NON_SPD6	C[5x3,5x5,20x6]	C[5x3,5x5,20x6]	H	6:6:6:6:6:1:	6:6:6:6:6:3:	6:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C[6a]-3:	C[5x3,5x5,20x6]-6:	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[6a])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4S)2(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[6a]C[6a]2)	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[6a])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4S)2(H){1|B<6>,2|C<3>,5|H<1>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[6a]C[6a]2){1|B<6>,2|C<3>,2|S<2>,5|H<1>}	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	119.4470	0.000	1	119.4470	0.000	1	117.3760	8.946	25	117.5786	14.183	90	118.7293	10.699	302	117.5772	103.967	352
362	362	951	0:SPD6_SP-NON_SPD6	C[5x3,5x5,20x6]	C[5x3,5x5,20x6]	H	6:6:6:6:6:1:	6:6:6:6:6:4:	6:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:B-4:	C[5x3,5x5,20x6]-6:	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4B)(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(BC[5]HH)	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4B)(H){1|B<6>,5|H<1>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(BC[5]HH){1|B<6>,5|H<1>}	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	118.0795	1.023	2	118.0795	1.047	2	118.0795	1.047	2	119.2987	6.059	77	118.7293	10.699	302	117.5772	103.967	352
362	362	951	0:SPD6_SP-NON_SPD6	C[5x3,5x5,20x6]	C[5x3,5x5,20x6]	H	6:6:6:6:6:1:	6:6:6:6:6:4:	6:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C-4:	C[5x3,5x5,20x6]-6:	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[6a])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[6a])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CCHO)	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[6a])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(H){1|B<6>,2|C<3>,5|H<1>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[6a])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CCHO){1|B<6>,2|C<3>,5|H<1>}	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	120.1030	0.000	1	120.1030	0.000	1	119.3653	6.547	60	119.2987	6.059	77	118.7293	10.699	302	117.5772	103.967	352
362	362	951	0:SPD6_SP-NON_SPD6	C[5x3,5x5,20x6]	C[5x3,5x5,20x6]	H	6:6:6:6:6:1:	6:6:6:6:6:4:	6:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C-4:	C[5x3,5x5,20x6]-6:	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]N)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]N)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CCHH)	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]N)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(H){1|B<6>,5|H<1>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]N)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CCHH){1|B<6>,5|H<1>}	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	117.3187	2.261	6	117.3187	5.114	6	119.3653	6.547	60	119.2987	6.059	77	118.7293	10.699	302	117.5772	103.967	352
362	362	951	0:SPD6_SP-NON_SPD6	C[5x3,5x5,20x6]	C[5x3,5x5,20x6]	H	6:6:6:6:6:1:	6:6:6:6:6:4:	6:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C-4:	C[5x3,5x5,20x6]-6:	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]N)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]N)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CH3)	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]N)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(H){1|B<6>,5|H<1>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]N)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CH3){1|B<6>,5|H<1>}	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	113.7730	0.000	1	113.7730	0.000	1	119.3653	6.547	60	119.2987	6.059	77	118.7293	10.699	302	117.5772	103.967	352
362	362	951	0:SPD6_SP-NON_SPD6	C[5x3,5x5,20x6]	C[5x3,5x5,20x6]	H	6:6:6:6:6:1:	6:6:6:6:6:4:	6:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C-4:	C[5x3,5x5,20x6]-6:	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CH3)	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(H){1|B<6>,5|H<1>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CH3){1|B<6>,1|C<2>,4|H<1>}	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	121.1080	0.000	1	121.1080	0.000	1	119.3653	6.547	60	119.2987	6.059	77	118.7293	10.699	302	117.5772	103.967	352
362	362	951	0:SPD6_SP-NON_SPD6	C[5x3,5x5,20x6]	C[5x3,5x5,20x6]	H	6:6:6:6:6:1:	6:6:6:6:6:4:	6:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C-4:	C[5x3,5x5,20x6]-6:	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CH3)	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(H){1|B<6>,2|C<3>,5|H<1>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CH3){1|B<6>,1|C<3>,4|H<1>}	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	116.1470	0.000	1	116.1470	0.000	1	119.3653	6.547	60	119.2987	6.059	77	118.7293	10.699	302	117.5772	103.967	352
362	362	951	0:SPD6_SP-NON_SPD6	C[5x3,5x5,20x6]	C[5x3,5x5,20x6]	H	6:6:6:6:6:1:	6:6:6:6:6:4:	6:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C-4:	C[5x3,5x5,20x6]-6:	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5a])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CH3)	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5a])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(H){1|B<6>,1|C<3>,1|S<2>,5|H<1>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CH3){1|B<6>,1|C<3>,4|H<1>}	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	120.8897	0.784	4	120.8897	0.615	4	119.3653	6.547	60	119.2987	6.059	77	118.7293	10.699	302	117.5772	103.967	352
362	362	951	0:SPD6_SP-NON_SPD6	C[5x3,5x5,20x6]	C[5x3,5x5,20x6]	H	6:6:6:6:6:1:	6:6:6:6:6:4:	6:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C-4:	C[5x3,5x5,20x6]-6:	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CH3)	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(H){1|B<6>,2|C<3>,5|H<1>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CH3){1|B<6>,1|C<3>,4|H<1>}	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	120.9720	0.000	1	120.9720	0.000	1	119.3653	6.547	60	119.2987	6.059	77	118.7293	10.699	302	117.5772	103.967	352
362	362	951	0:SPD6_SP-NON_SPD6	C[5x3,5x5,20x6]	C[5x3,5x5,20x6]	H	6:6:6:6:6:1:	6:6:6:6:6:4:	6:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C-4:	C[5x3,5x5,20x6]-6:	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[6a])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CH3)	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[6a])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(H){1|B<6>,2|C<3>,5|H<1>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CH3){1|B<6>,1|C<3>,4|H<1>}	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	120.8241	0.753	7	120.8241	0.567	7	119.3653	6.547	60	119.2987	6.059	77	118.7293	10.699	302	117.5772	103.967	352
362	362	951	0:SPD6_SP-NON_SPD6	C[5x3,5x5,20x6]	C[5x3,5x5,20x6]	H	6:6:6:6:6:1:	6:6:6:6:6:4:	6:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C-4:	C[5x3,5x5,20x6]-6:	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4N)(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CH3)	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4N)(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(H){1|B<6>,5|H<1>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CH3){1|B<6>,1|N<3>,4|H<1>}	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	116.8510	5.030	2	116.8510	25.304	2	119.3653	6.547	60	119.2987	6.059	77	118.7293	10.699	302	117.5772	103.967	352
362	362	951	0:SPD6_SP-NON_SPD6	C[5x3,5x5,20x6]	C[5x3,5x5,20x6]	H	6:6:6:6:6:1:	6:6:6:6:6:4:	6:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C-4:	C[5x3,5x5,20x6]-6:	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CCHH)	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(H){1|B<6>,5|H<1>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CCHH){1|B<6>,5|H<1>}	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	119.4210	1.686	5	119.4210	2.843	5	119.3653	6.547	60	119.2987	6.059	77	118.7293	10.699	302	117.5772	103.967	352
362	362	951	0:SPD6_SP-NON_SPD6	C[5x3,5x5,20x6]	C[5x3,5x5,20x6]	H	6:6:6:6:6:1:	6:6:6:6:6:4:	6:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C-4:	C[5x3,5x5,20x6]-6:	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CCHO)	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(H){1|B<6>,5|H<1>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CCHO){1|B<6>,1|I<1>,4|H<1>}	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	120.4570	0.000	1	120.4570	0.000	1	119.3653	6.547	60	119.2987	6.059	77	118.7293	10.699	302	117.5772	103.967	352
362	362	951	0:SPD6_SP-NON_SPD6	C[5x3,5x5,20x6]	C[5x3,5x5,20x6]	H	6:6:6:6:6:1:	6:6:6:6:6:4:	6:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C-4:	C[5x3,5x5,20x6]-6:	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CC[5]CC)	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(H){1|B<6>,5|H<1>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CC[5]CC){1|B<6>,5|H<1>}	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	119.7690	0.133	2	119.7690	0.018	2	119.3653	6.547	60	119.2987	6.059	77	118.7293	10.699	302	117.5772	103.967	352
362	362	951	0:SPD6_SP-NON_SPD6	C[5x3,5x5,20x6]	C[5x3,5x5,20x6]	H	6:6:6:6:6:1:	6:6:6:6:6:4:	6:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C-4:	C[5x3,5x5,20x6]-6:	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CC[6]HH)	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(H){1|B<6>,5|H<1>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CC[6]HH){1|B<6>,5|H<1>}	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	110.3130	0.000	1	110.3130	0.000	1	119.3653	6.547	60	119.2987	6.059	77	118.7293	10.699	302	117.5772	103.967	352
362	362	951	0:SPD6_SP-NON_SPD6	C[5x3,5x5,20x6]	C[5x3,5x5,20x6]	H	6:6:6:6:6:1:	6:6:6:6:6:4:	6:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C-4:	C[5x3,5x5,20x6]-6:	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CC[6]HO)	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(H){1|B<6>,5|H<1>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CC[6]HO){1|B<6>,5|H<1>}	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	120.0355	0.303	2	120.0355	0.092	2	119.3653	6.547	60	119.2987	6.059	77	118.7293	10.699	302	117.5772	103.967	352
362	362	951	0:SPD6_SP-NON_SPD6	C[5x3,5x5,20x6]	C[5x3,5x5,20x6]	H	6:6:6:6:6:1:	6:6:6:6:6:4:	6:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C-4:	C[5x3,5x5,20x6]-6:	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CC[6a]HH)	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(H){1|B<6>,5|H<1>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CC[6a]HH){1|B<6>,5|H<1>}	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	120.5390	0.000	1	120.5390	0.000	1	119.3653	6.547	60	119.2987	6.059	77	118.7293	10.699	302	117.5772	103.967	352
362	362	951	0:SPD6_SP-NON_SPD6	C[5x3,5x5,20x6]	C[5x3,5x5,20x6]	H	6:6:6:6:6:1:	6:6:6:6:6:4:	6:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C-4:	C[5x3,5x5,20x6]-6:	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CC[6a]HO)	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(H){1|B<6>,5|H<1>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CC[6a]HO){1|B<6>,5|H<1>}	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	120.8899	1.057	8	120.8899	1.116	8	119.3653	6.547	60	119.2987	6.059	77	118.7293	10.699	302	117.5772	103.967	352
362	362	951	0:SPD6_SP-NON_SPD6	C[5x3,5x5,20x6]	C[5x3,5x5,20x6]	H	6:6:6:6:6:1:	6:6:6:6:6:4:	6:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C-4:	C[5x3,5x5,20x6]-6:	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CHHN)	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(H){1|B<6>,5|H<1>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CHHN){1|B<6>,5|H<1>}	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	119.9617	2.178	6	119.9617	4.745	6	119.3653	6.547	60	119.2987	6.059	77	118.7293	10.699	302	117.5772	103.967	352
362	362	951	0:SPD6_SP-NON_SPD6	C[5x3,5x5,20x6]	C[5x3,5x5,20x6]	H	6:6:6:6:6:1:	6:6:6:6:6:4:	6:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C-4:	C[5x3,5x5,20x6]-6:	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CHHO)	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(H){1|B<6>,5|H<1>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CHHO){1|B<6>,5|H<1>}	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	115.7240	0.000	1	115.7240	0.000	1	119.3653	6.547	60	119.2987	6.059	77	118.7293	10.699	302	117.5772	103.967	352
362	362	951	0:SPD6_SP-NON_SPD6	C[5x3,5x5,20x6]	C[5x3,5x5,20x6]	H	6:6:6:6:6:1:	6:6:6:6:6:4:	6:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C-4:	C[5x3,5x5,20x6]-6:	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CHHP)	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(H){1|B<6>,5|H<1>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CHHP){1|B<6>,5|H<1>}	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	120.8640	0.506	3	120.8640	0.256	3	119.3653	6.547	60	119.2987	6.059	77	118.7293	10.699	302	117.5772	103.967	352
362	362	951	0:SPD6_SP-NON_SPD6	C[5x3,5x5,20x6]	C[5x3,5x5,20x6]	H	6:6:6:6:6:1:	6:6:6:6:6:4:	6:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C-4:	C[5x3,5x5,20x6]-6:	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4O)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CCCH)	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4O)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(H){1|B<6>,5|H<1>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CCCH){1|B<6>,2|O<2>,3|H<1>}	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	120.2070	0.000	1	120.2070	0.000	1	119.3653	6.547	60	119.2987	6.059	77	118.7293	10.699	302	117.5772	103.967	352
362	362	951	0:SPD6_SP-NON_SPD6	C[5x3,5x5,20x6]	C[5x3,5x5,20x6]	H	6:6:6:6:6:1:	6:6:6:6:6:4:	6:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C-4:	C[5x3,5x5,20x6]-6:	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4S)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CH3)	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4S)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(H){1|B<6>,5|H<1>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CH3){1|B<6>,2|S<2>,3|H<1>}	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	119.8770	0.000	1	119.8770	0.000	1	119.3653	6.547	60	119.2987	6.059	77	118.7293	10.699	302	117.5772	103.967	352
362	362	951	0:SPD6_SP-NON_SPD6	C[5x3,5x5,20x6]	C[5x3,5x5,20x6]	H	6:6:6:6:6:1:	6:6:6:6:6:4:	6:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C-4:	C[5x3,5x5,20x6]-6:	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]Ir)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]Ir)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CN[5]HH)	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]Ir)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(H){1|B<6>,5|H<1>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]Ir)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CN[5]HH){1|B<6>,5|H<1>}	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	112.3600	0.000	1	112.3600	0.000	1	119.3653	6.547	60	119.2987	6.059	77	118.7293	10.699	302	117.5772	103.967	352
362	362	951	0:SPD6_SP-NON_SPD6	C[5x3,5x5,20x6]	C[5x3,5x5,20x6]	H	6:6:6:6:6:1:	6:6:6:6:6:4:	6:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C-4:	C[5x3,5x5,20x6]-6:	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]Ru)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]Ru)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CC[5]CC)	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]Ru)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(H){1|B<6>,5|H<1>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]Ru)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CC[5]CC){1|B<6>,5|H<1>}	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	119.0660	0.205	3	119.0660	0.042	3	119.3653	6.547	60	119.2987	6.059	77	118.7293	10.699	302	117.5772	103.967	352
362	362	951	0:SPD6_SP-NON_SPD6	C[5x3,5x5,20x6]	C[5x3,5x5,20x6]	H	6:6:6:6:6:1:	6:6:6:6:6:4:	6:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:P-4:	C[5x3,5x5,20x6]-6:	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4P)(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(PC[6a]2Pt)	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4P)(H){1|B<6>,5|H<1>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(PC[6a]2Pt){1|B<6>,5|H<1>}	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	120.4050	0.000	1	120.4050	0.000	1	117.8272	12.400	5	119.2987	6.059	77	118.7293	10.699	302	117.5772	103.967	352
362	362	951	0:SPD6_SP-NON_SPD6	C[5x3,5x5,20x6]	C[5x3,5x5,20x6]	H	6:6:6:6:6:1:	6:6:6:6:6:4:	6:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:P-4:	C[5x3,5x5,20x6]-6:	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4P)(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(PC[6a]2S)	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4P)(H){1|B<6>,5|H<1>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(PC[6a]2S){1|B<6>,5|H<1>}	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	114.8490	0.000	1	114.8490	0.000	1	117.8272	12.400	5	119.2987	6.059	77	118.7293	10.699	302	117.5772	103.967	352
362	362	951	0:SPD6_SP-NON_SPD6	C[5x3,5x5,20x6]	C[5x3,5x5,20x6]	H	6:6:6:6:6:1:	6:6:6:6:6:4:	6:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:P-4:	C[5x3,5x5,20x6]-6:	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]Pd)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4P)(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]Pd)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(PPdCC)	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]Pd)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4P)(H){1|B<6>,5|H<1>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]Pd)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(PPdCC){1|B<6>,5|H<1>}	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	117.9607	4.125	3	117.9607	17.015	3	117.8272	12.400	5	119.2987	6.059	77	118.7293	10.699	302	117.5772	103.967	352
362	362	951	0:SPD6_SP-NON_SPD6	C[5x3,5x5,20x6]	C[5x3,5x5,20x6]	H	6:6:6:6:6:1:	6:6:6:6:6:4:	6:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,21x6]-6:B[5x3,5x5,21x6]-6:C[5x3,5x5,20x6]-6:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C-4:	C[5x3,5x5,20x6]-6:	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]2B[5x3,5x5,21x6]C[5x3,5x5,20x6]H)2(B[5x3,5x5,21x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]C[6,6a])(B[5x3,5x5,21x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]N[6])(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]2B[5x3,5x5,21x6]C[5x3,5x5,20x6]H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]2B[5x3,5x5,21x6]2H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(CH3)	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]2B[5x3,5x5,21x6]2C[5x3,5x5,20x6])	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]2B[5x3,5x5,21x6]C[5x3,5x5,20x6]H)2(B[5x3,5x5,21x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]C[6,6a])(B[5x3,5x5,21x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]N[6])(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(H){1|B<6>,3|C<3>,6|H<1>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]2B[5x3,5x5,21x6]C[5x3,5x5,20x6]H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]2B[5x3,5x5,21x6]2H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(CH3){1|B<6>,1|C<3>,1|N<3>,3|H<1>}	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]2B[5x3,5x5,21x6]2C[5x3,5x5,20x6])	119.2180	0.126	3	119.2180	0.016	3	119.2180	0.016	3	119.2987	6.059	77	118.7293	10.699	302	117.5772	103.967	352
362	362	951	0:SPD6_SP-NON_SPD6	C[5x3,5x5,20x6]	C[5x3,5x5,20x6]	H	6:6:6:6:6:1:	6:6:6:6:6:4:	6:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C[5]-4:	C[5x3,5x5,20x6]-6:	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]Br)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]Br)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[5]C[5]2Fe)	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]Br)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(H){1|Fe<10>,1|B<6>,2|C<4>,5|H<1>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]Br)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[5]C[5]2Fe){1|B<6>,2|C<4>,7|H<1>}	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	119.2550	0.000	1	119.2550	0.000	1	119.5583	0.147	4	119.2987	6.059	77	118.7293	10.699	302	117.5772	103.967	352
362	362	951	0:SPD6_SP-NON_SPD6	C[5x3,5x5,20x6]	C[5x3,5x5,20x6]	H	6:6:6:6:6:1:	6:6:6:6:6:4:	6:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C[5]-4:	C[5x3,5x5,20x6]-6:	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[6a])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[6a])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[5]C[5]2Fe)	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[6a])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(H){1|Fe<10>,1|B<6>,2|C<3>,2|C<4>,5|H<1>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[6a])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[5]C[5]2Fe){1|B<6>,2|C<3>,2|C<4>,7|H<1>}	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	119.2030	0.000	1	119.2030	0.000	1	119.5583	0.147	4	119.2987	6.059	77	118.7293	10.699	302	117.5772	103.967	352
362	362	951	0:SPD6_SP-NON_SPD6	C[5x3,5x5,20x6]	C[5x3,5x5,20x6]	H	6:6:6:6:6:1:	6:6:6:6:6:4:	6:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C[5]-4:	C[5x3,5x5,20x6]-6:	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[5]C[5,6a]C[5]C)	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(H){1|B<6>,1|C<4>,2|C<3>,5|H<1>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[5]C[5,6a]C[5]C){1|B<6>,1|C<4>,1|N<2>,2|C<3>,5|H<1>}	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	119.8330	0.000	1	119.8330	0.000	1	119.5583	0.147	4	119.2987	6.059	77	118.7293	10.699	302	117.5772	103.967	352
362	362	951	0:SPD6_SP-NON_SPD6	C[5x3,5x5,20x6]	C[5x3,5x5,20x6]	H	6:6:6:6:6:1:	6:6:6:6:6:4:	6:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C[5]-4:	C[5x3,5x5,20x6]-6:	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[5]C[5]2O)	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(H){1|B<6>,1|O<2>,2|C<4>,5|H<1>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[5]C[5]2O){1|B<6>,2|C<3>,9|H<1>}	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	119.9420	0.000	1	119.9420	0.000	1	119.5583	0.147	4	119.2987	6.059	77	118.7293	10.699	302	117.5772	103.967	352
362	362	951	0:SPD6_SP-NON_SPD6	C[5x3,5x5,20x6]	C[5x3,5x5,20x6]	H	6:6:6:6:6:1:	6:6:6:6:6:4:	6:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C[6]-4:	C[5x3,5x5,20x6]-6:	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[6]C[4,6]C[6]H)	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(H){1|B<6>,1|C<3>,1|C<4>,6|H<1>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[6]C[4,6]C[6]H){1|B<6>,1|C<4>,1|C<6>,2|C<3>,6|H<1>}	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	121.0270	0.000	1	121.0270	0.000	1	120.7735	0.129	2	119.2987	6.059	77	118.7293	10.699	302	117.5772	103.967	352
362	362	951	0:SPD6_SP-NON_SPD6	C[5x3,5x5,20x6]	C[5x3,5x5,20x6]	H	6:6:6:6:6:1:	6:6:6:6:6:4:	6:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C[6]-4:	C[5x3,5x5,20x6]-6:	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[6]C[6,6a]2H)	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(H){1|B<6>,2|C<3>,6|H<1>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[6]C[6,6a]2H){1|B<6>,4|C<3>,5|H<1>}	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	120.5200	0.000	1	120.5200	0.000	1	120.7735	0.129	2	119.2987	6.059	77	118.7293	10.699	302	117.5772	103.967	352
362	362	951	0:SPD6_SP-NON_SPD6	C[5x3,5x5,20x6]	C[5x3,5x5,20x6]	H	6:6:6:6:6:1:	6:6:6:6:6:4:	6:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:Si-4:	C[5x3,5x5,20x6]-6:	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4Si)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(SiC3)	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4Si)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(H){1|B<6>,5|H<1>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(SiC3){1|B<6>,5|H<1>}	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	121.3530	0.000	1	121.3530	0.000	1	121.3530	0.000	1	119.2987	6.059	77	118.7293	10.699	302	117.5772	103.967	352
362	362	951	0:SPD6_SP-NON_SPD6	C[5x3,5x5,20x6]	C[5x3,5x5,20x6]	H	6:6:6:6:6:1:	6:6:6:6:6:6:	6:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:H-1:	C[3x3,3x5,12x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:	C[5x3,5x5,20x6]-6:	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[3x3,3x5,12x6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(H)	C[5x3,5x5,20x6](C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]Co)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[3x3,3x5,12x6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(H){1|Co<10>,1|C<6>,4|B<6>,5|H<1>}	C[5x3,5x5,20x6](C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]Co)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H){6|B<6>,9|H<1>}	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	115.3940	0.000	1	115.3940	0.000	1	115.3064	0.376	5	115.2438	0.324	6	118.7293	10.699	302	117.5772	103.967	352
362	362	951	0:SPD6_SP-NON_SPD6	C[5x3,5x5,20x6]	C[5x3,5x5,20x6]	H	6:6:6:6:6:1:	6:6:6:6:6:6:	6:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:H-1:	C[3x3,3x5,12x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:	C[5x3,5x5,20x6]-6:	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[3x3,3x5,12x6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(H)	C[5x3,5x5,20x6](C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]Ni)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[3x3,3x5,12x6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(H){1|Ni<7>,1|C<6>,4|B<6>,5|H<1>}	C[5x3,5x5,20x6](C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]Ni)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H){6|B<6>,9|H<1>}	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	115.0437	0.632	3	115.0437	0.399	3	115.3064	0.376	5	115.2438	0.324	6	118.7293	10.699	302	117.5772	103.967	352
362	362	951	0:SPD6_SP-NON_SPD6	C[5x3,5x5,20x6]	C[5x3,5x5,20x6]	H	6:6:6:6:6:1:	6:6:6:6:6:6:	6:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:H-1:	C[3x3,3x5,12x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:	C[5x3,5x5,20x6]-6:	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[3x3,3x5,12x6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(H)	C[5x3,5x5,20x6](C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]Ru)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[3x3,3x5,12x6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(H){1|Ru<11>,1|C<6>,4|B<6>,5|H<1>}	C[5x3,5x5,20x6](C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]Ru)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H){6|B<6>,9|H<1>}	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	116.0070	0.000	1	116.0070	0.000	1	115.3064	0.376	5	115.2438	0.324	6	118.7293	10.699	302	117.5772	103.967	352
362	362	951	0:SPD6_SP-NON_SPD6	C[5x3,5x5,20x6]	C[5x3,5x5,20x6]	H	6:6:6:6:6:1:	6:6:6:6:6:6:	6:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:H-1:	C[5x3,3x5,11x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:	C[5x3,5x5,20x6]-6:	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,3x5,11x6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(H)	C[5x3,5x5,20x6](C[5x3,3x5,11x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]2B[5x3,5x5,5x6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,3x5,11x6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(H){5|H<1>,6|B<6>}	C[5x3,5x5,20x6](C[5x3,3x5,11x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]2B[5x3,5x5,5x6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H){1|Co<10>,10|H<1>,1|C<6>,4|B<6>}	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	114.9310	0.000	1	114.9310	0.000	1	114.9310	0.000	1	115.2438	0.324	6	118.7293	10.699	302	117.5772	103.967	352
362	362	951	0:SPD6_SP-NON_SPD6	C[5x3,5x5,20x6]	C[5x3,5x5,20x6]	H	6:6:6:6:6:1:	6:6:7:6:6:3:	6:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-7:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:S-3:	C[5x3,5x5,20x6]-6:	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]Os)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4S)(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]Os)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4OsH)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(SOsC)	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]Os)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4S)(H){1|Os<7>,1|B<6>,1|H<2>,4|H<1>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]Os)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4OsH)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(SOsC){1|B<6>,5|H<1>}	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])	119.0130	0.742	2	119.0130	0.551	2	119.0130	0.551	2	119.0130	0.551	2	118.7293	10.699	302	117.5772	103.967	352
362	362	951	0:SPD6_SP-NON_SPD6	C[5x3,5x5,20x6]	C[5x3,5x5,21x6]	H	6:6:6:6:6:1:	6:6:6:6:6:3:	6:	B[5x3,5x5,20x6]-6:C[5x3,5x5,21x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,21x6]-6:C[5x3,5x5,20x6]-6:C[6,6a]-3:	C[5x3,5x5,20x6]-6:	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]2B[5x3,5x5,21x6]C[5x3,5x5,21x6]H)(C[5x3,5x5,21x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]C[6,6a])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,21x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(H)	C[5x3,5x5,21x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]2B[5x3,5x5,21x6]C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[6,6a])(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[6,6a]C[6,6a]C[6a])	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]2B[5x3,5x5,21x6]C[5x3,5x5,21x6]H)(C[5x3,5x5,21x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]C[6,6a])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,21x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(H){1|B<6>,3|C<3>,4|H<1>}	C[5x3,5x5,21x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]2B[5x3,5x5,21x6]C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[6,6a])(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[6,6a]C[6,6a]C[6a]){1|B<6>,4|C<3>,6|H<1>}	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])	121.0680	0.000	1	121.0680	0.000	1	121.0680	0.000	1	120.5795	0.305	6	120.5795	0.305	6	117.5772	103.967	352
362	362	951	0:SPD6_SP-NON_SPD6	C[5x3,5x5,20x6]	C[5x3,5x5,21x6]	H	6:6:6:6:6:1:	6:6:6:6:6:3:	6:	B[5x3,5x5,20x6]-6:C[5x3,5x5,21x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,21x6]-6:C[5x3,5x5,20x6]-6:C[6]-3:	C[5x3,5x5,20x6]-6:	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]2B[5x3,5x5,21x6]C[5x3,5x5,21x6]H)(C[5x3,5x5,21x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]C[6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,21x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(H)	C[5x3,5x5,21x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]2B[5x3,5x5,21x6]C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[6])(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[6]O[6]O)	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]2B[5x3,5x5,21x6]C[5x3,5x5,21x6]H)(C[5x3,5x5,21x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]C[6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,21x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(H){1|B<6>,1|C<3>,1|O<1>,1|O<2>,4|H<1>}	C[5x3,5x5,21x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]2B[5x3,5x5,21x6]C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[6])(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[6]O[6]O){1|B<6>,1|C<3>,1|C<4>,5|H<1>}	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])	121.2460	0.000	1	121.2460	0.000	1	121.2460	0.000	1	120.5795	0.305	6	120.5795	0.305	6	117.5772	103.967	352
362	362	951	0:SPD6_SP-NON_SPD6	C[5x3,5x5,20x6]	C[5x3,5x5,21x6]	H	6:6:6:6:6:1:	6:6:6:6:6:3:	6:	B[5x3,5x5,21x6]-6:C[5x3,5x5,21x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:H-1:	B[5x3,5x5,21x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[6,6a]-3:	C[5x3,5x5,20x6]-6:	C[5x3,5x5,20x6](B[5x3,5x5,21x6]B[5x3,5x5,20x6]3C[5x3,5x5,21x6]C[6,6a])(C[5x3,5x5,21x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]C[6,6a])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,21x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(H)	C[5x3,5x5,21x6](B[5x3,5x5,21x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[6,6a])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(C[5x3,5x5,20x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[6,6a]C[6,6a]C[6a])	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]C[5x3,5x5,21x6])	C[5x3,5x5,20x6](B[5x3,5x5,21x6]B[5x3,5x5,20x6]3C[5x3,5x5,21x6]C[6,6a])(C[5x3,5x5,21x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]C[6,6a])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,21x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(H){1|B<6>,4|C<3>,5|H<1>}	C[5x3,5x5,21x6](B[5x3,5x5,21x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[6,6a])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(C[5x3,5x5,20x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[6,6a]C[6,6a]C[6a]){1|B<6>,4|C<3>,6|H<1>}	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]C[5x3,5x5,21x6])	120.1750	0.000	1	120.1750	0.000	1	120.1750	0.000	1	120.5795	0.305	6	120.5795	0.305	6	117.5772	103.967	352
362	362	951	0:SPD6_SP-NON_SPD6	C[5x3,5x5,20x6]	C[5x3,5x5,21x6]	H	6:6:6:6:6:1:	6:6:6:6:6:3:	6:	B[5x3,5x5,21x6]-6:C[5x3,5x5,21x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:H-1:	B[5x3,5x5,21x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[6]-3:	C[5x3,5x5,20x6]-6:	C[5x3,5x5,20x6](B[5x3,5x5,21x6]B[5x3,5x5,20x6]3C[5x3,5x5,21x6]C[6,6a])(C[5x3,5x5,21x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]C[6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,21x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(H)	C[5x3,5x5,21x6](B[5x3,5x5,21x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[6,6a])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(C[5x3,5x5,20x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[6]C[6]H)	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]C[5x3,5x5,21x6])	C[5x3,5x5,20x6](B[5x3,5x5,21x6]B[5x3,5x5,20x6]3C[5x3,5x5,21x6]C[6,6a])(C[5x3,5x5,21x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]C[6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,21x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(H){1|B<6>,3|C<3>,6|H<1>}	C[5x3,5x5,21x6](B[5x3,5x5,21x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[6,6a])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(C[5x3,5x5,20x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[6]C[6]H){1|B<6>,2|C<3>,6|H<1>}	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]C[5x3,5x5,21x6])	120.4780	0.597	2	120.4780	0.356	2	120.3293	0.244	3	120.5795	0.305	6	120.5795	0.305	6	117.5772	103.967	352
362	362	951	0:SPD6_SP-NON_SPD6	C[5x3,5x5,20x6]	C[5x3,5x5,21x6]	H	6:6:6:6:6:1:	6:6:6:6:6:3:	6:	B[5x3,5x5,21x6]-6:C[5x3,5x5,21x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:H-1:	B[5x3,5x5,21x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[6]-3:	C[5x3,5x5,20x6]-6:	C[5x3,5x5,20x6](B[5x3,5x5,21x6]B[5x3,5x5,20x6]3C[5x3,5x5,21x6]C[6])(C[5x3,5x5,21x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]C[6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,21x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(H)	C[5x3,5x5,21x6](B[5x3,5x5,21x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(C[5x3,5x5,20x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[6]C[6]C)	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]C[5x3,5x5,21x6])	C[5x3,5x5,20x6](B[5x3,5x5,21x6]B[5x3,5x5,20x6]3C[5x3,5x5,21x6]C[6])(C[5x3,5x5,21x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]C[6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,21x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(H){1|B<6>,2|C<3>,2|C<4>,5|H<1>}	C[5x3,5x5,21x6](B[5x3,5x5,21x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(C[5x3,5x5,20x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[6]C[6]C){1|B<6>,1|C<3>,2|C<4>,5|H<1>}	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]C[5x3,5x5,21x6])	120.0320	0.000	1	120.0320	0.000	1	120.3293	0.244	3	120.5795	0.305	6	120.5795	0.305	6	117.5772	103.967	352
362	362	951	0:SPD6_SP-NON_SPD6	C[5x3,5x5,20x6]	C[5x3,6x5,20x6]	H	6:6:6:6:6:1:	6:6:6:6:6:2:	6:	B[5x3,6x5,20x6]-6:C[5x3,6x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:H-1:	B[5x3,6x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:S[5]-2:	C[5x3,5x5,20x6]-6:	C[5x3,5x5,20x6](B[5x3,6x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,20x6]C[3x5,6])(C[5x3,6x5,20x6]B[5x3,5x5,20x6]3B[5x3,6x5,20x6]S[5])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3B[5x3,6x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(H)	C[5x3,6x5,20x6](B[5x3,6x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[3x5,6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3B[5x3,6x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(C[5x3,5x5,20x6]B[5x3,5x5,20x6]3B[5x3,6x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(S[5]C[5,5,6])	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]3B[5x3,6x5,20x6]C[5x3,6x5,20x6])	C[5x3,5x5,20x6](B[5x3,6x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,20x6]C[3x5,6])(C[5x3,6x5,20x6]B[5x3,5x5,20x6]3B[5x3,6x5,20x6]S[5])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3B[5x3,6x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(H){1|B<6>,1|C<3>,2|C<4>,5|H<1>}	C[5x3,6x5,20x6](B[5x3,6x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[3x5,6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3B[5x3,6x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(C[5x3,5x5,20x6]B[5x3,5x5,20x6]3B[5x3,6x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(S[5]C[5,5,6]){1|B<6>,1|C<3>,2|C<4>,6|H<1>}	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]3B[5x3,6x5,20x6]C[5x3,6x5,20x6])	116.9610	2.321	2	116.9610	5.386	2	116.9610	5.386	2	116.9610	5.386	2	120.4425	4.198	11	117.5772	103.967	352
362	362	951	0:SPD6_SP-NON_SPD6	C[5x3,5x5,20x6]	C[5x3,6x5,20x6]	H	6:6:6:6:6:1:	6:6:6:6:6:3:	6:	B[5x3,5x5,20x6]-6:C[5x3,6x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,6x5,20x6]-6:C[5x3,5x5,20x6]-6:C[5,6a]-3:	C[5x3,5x5,20x6]-6:	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]2B[5x3,6x5,20x6]C[5x3,6x5,20x6]H)(C[5x3,6x5,20x6]B[5x3,5x5,20x6]3B[5x3,6x5,20x6]C[5,6a])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(H)	C[5x3,6x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]2B[5x3,6x5,20x6]C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3B[5x3,6x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,6x5,20x6]B[5x3,5x5,20x6]4O[5])(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[5,6a]C[5,6a]C[6a])	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]2B[5x3,6x5,20x6]C[5x3,6x5,20x6]H)(C[5x3,6x5,20x6]B[5x3,5x5,20x6]3B[5x3,6x5,20x6]C[5,6a])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(H){1|B<6>,1|O<2>,2|C<3>,4|H<1>}	C[5x3,6x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]2B[5x3,6x5,20x6]C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3B[5x3,6x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,6x5,20x6]B[5x3,5x5,20x6]4O[5])(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[5,6a]C[5,6a]C[6a]){1|B<6>,2|C<3>,6|H<1>}	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])	121.7900	0.000	1	121.7900	0.000	1	121.7900	0.000	1	121.0079	0.602	7	120.4425	4.198	11	117.5772	103.967	352
362	362	951	0:SPD6_SP-NON_SPD6	C[5x3,5x5,20x6]	C[5x3,6x5,20x6]	H	6:6:6:6:6:1:	6:6:6:6:6:3:	6:	B[5x3,5x5,20x6]-6:C[5x3,6x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,6x5,20x6]-6:C[5x3,5x5,20x6]-6:C[5]-3:	C[5x3,5x5,20x6]-6:	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]2B[5x3,6x5,20x6]C[5x3,6x5,20x6]H)(C[5x3,6x5,20x6]B[5x3,5x5,20x6]3B[5x3,6x5,20x6]C[5])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(H)	C[5x3,6x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]2B[5x3,6x5,20x6]C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3B[5x3,6x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5,6a])(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[5]C[5,6a]O)	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]2B[5x3,6x5,20x6]C[5x3,6x5,20x6]H)(C[5x3,6x5,20x6]B[5x3,5x5,20x6]3B[5x3,6x5,20x6]C[5])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(H){1|B<6>,1|I<1>,1|O<1>,2|C<3>,3|H<1>}	C[5x3,6x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]2B[5x3,6x5,20x6]C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3B[5x3,6x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5,6a])(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[5]C[5,6a]O){1|B<6>,2|C<3>,5|H<1>}	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])	121.5315	0.234	2	120.7906	0.668	5	120.7906	0.668	5	121.0079	0.602	7	120.4425	4.198	11	117.5772	103.967	352
362	362	951	0:SPD6_SP-NON_SPD6	C[5x3,5x5,20x6]	C[5x3,6x5,20x6]	H	6:6:6:6:6:1:	6:6:6:6:6:3:	6:	B[5x3,5x5,20x6]-6:C[5x3,6x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,6x5,20x6]-6:C[5x3,5x5,20x6]-6:C[5]-3:	C[5x3,5x5,20x6]-6:	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]2B[5x3,6x5,20x6]C[5x3,6x5,20x6]H)(C[5x3,6x5,20x6]B[5x3,5x5,20x6]3B[5x3,6x5,20x6]C[5])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(H)	C[5x3,6x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]2B[5x3,6x5,20x6]C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3B[5x3,6x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5,6a])(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[5]C[5,6a]O)	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]2B[5x3,6x5,20x6]C[5x3,6x5,20x6]H)(C[5x3,6x5,20x6]B[5x3,5x5,20x6]3B[5x3,6x5,20x6]C[5])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(H){1|B<6>,1|O<1>,2|C<3>,4|H<1>}	C[5x3,6x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]2B[5x3,6x5,20x6]C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3B[5x3,6x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5,6a])(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[5]C[5,6a]O){1|B<6>,2|C<3>,5|H<1>}	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])	120.2967	0.627	3	120.7906	0.668	5	120.7906	0.668	5	121.0079	0.602	7	120.4425	4.198	11	117.5772	103.967	352
362	362	951	0:SPD6_SP-NON_SPD6	C[5x3,5x5,20x6]	C[5x3,6x5,20x6]	H	6:6:6:6:6:1:	6:6:6:6:6:3:	6:	C[5x3,6x5,20x6]-6:B[5x3,6x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:H-1:	B[5x3,6x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5,6a]-3:	C[5x3,5x5,20x6]-6:	C[5x3,5x5,20x6](C[5x3,6x5,20x6]B[5x3,5x5,20x6]3B[5x3,6x5,20x6]C[5,6a])(B[5x3,6x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,20x6]O[5])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3B[5x3,6x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(H)	C[5x3,6x5,20x6](B[5x3,6x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]O[5])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3B[5x3,6x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(C[5x3,5x5,20x6]B[5x3,5x5,20x6]3B[5x3,6x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[5,6a]C[5,6a]C[6a])	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]3B[5x3,6x5,20x6]C[5x3,6x5,20x6])	C[5x3,5x5,20x6](C[5x3,6x5,20x6]B[5x3,5x5,20x6]3B[5x3,6x5,20x6]C[5,6a])(B[5x3,6x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,20x6]O[5])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3B[5x3,6x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(H){1|B<6>,2|C<3>,5|H<1>}	C[5x3,6x5,20x6](B[5x3,6x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]O[5])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3B[5x3,6x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(C[5x3,5x5,20x6]B[5x3,5x5,20x6]3B[5x3,6x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[5,6a]C[5,6a]C[6a]){1|B<6>,1|O<2>,2|C<3>,5|H<1>}	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]3B[5x3,6x5,20x6]C[5x3,6x5,20x6])	121.3120	0.000	1	121.3120	0.000	1	121.3120	0.000	1	121.0079	0.602	7	120.4425	4.198	11	117.5772	103.967	352
362	362	951	0:SPD6_SP-NON_SPD6	C[5x3,5x5,20x6]	C[5x3,6x5,20x6]	H	6:6:6:6:6:1:	6:6:6:6:6:4:	6:	B[5x3,5x5,20x6]-6:C[5x3,6x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,6x5,20x6]-6:C[5x3,5x5,20x6]-6:C[5]-4:	C[5x3,5x5,20x6]-6:	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]2B[5x3,6x5,20x6]C[5x3,6x5,20x6]H)(C[5x3,6x5,20x6]B[5x3,5x5,20x6]3B[5x3,6x5,20x6]C[5])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(H)	C[5x3,6x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]2B[5x3,6x5,20x6]C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3B[5x3,6x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5,6a])(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[5]C[5,6a]HH)	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]2B[5x3,6x5,20x6]C[5x3,6x5,20x6]H)(C[5x3,6x5,20x6]B[5x3,5x5,20x6]3B[5x3,6x5,20x6]C[5])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(H){1|B<6>,2|C<3>,6|H<1>}	C[5x3,6x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]2B[5x3,6x5,20x6]C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3B[5x3,6x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5,6a])(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[5]C[5,6a]HH){1|B<6>,2|C<3>,5|H<1>}	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])	122.9410	0.000	1	122.9410	0.000	1	122.9410	0.000	1	121.9455	1.982	2	120.4425	4.198	11	117.5772	103.967	352
362	362	951	0:SPD6_SP-NON_SPD6	C[5x3,5x5,20x6]	C[5x3,6x5,20x6]	H	6:6:6:6:6:1:	6:6:6:6:6:4:	6:	B[5x3,6x5,20x6]-6:C[5x3,6x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:H-1:	B[5x3,6x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5]-4:	C[5x3,5x5,20x6]-6:	C[5x3,5x5,20x6](B[5x3,6x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,20x6]C[5,6a])(C[5x3,6x5,20x6]B[5x3,5x5,20x6]3B[5x3,6x5,20x6]C[5])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3B[5x3,6x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(H)	C[5x3,6x5,20x6](B[5x3,6x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[5,6a])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3B[5x3,6x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(C[5x3,5x5,20x6]B[5x3,5x5,20x6]3B[5x3,6x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[5]C[5,6a]HH)	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]3B[5x3,6x5,20x6]C[5x3,6x5,20x6])	C[5x3,5x5,20x6](B[5x3,6x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,20x6]C[5,6a])(C[5x3,6x5,20x6]B[5x3,5x5,20x6]3B[5x3,6x5,20x6]C[5])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3B[5x3,6x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(H){1|B<6>,2|C<3>,7|H<1>}	C[5x3,6x5,20x6](B[5x3,6x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[5,6a])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3B[5x3,6x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(C[5x3,5x5,20x6]B[5x3,5x5,20x6]3B[5x3,6x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[5]C[5,6a]HH){1|B<6>,2|C<3>,5|H<1>}	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]3B[5x3,6x5,20x6]C[5x3,6x5,20x6])	120.9500	0.000	1	120.9500	0.000	1	120.9500	0.000	1	121.9455	1.982	2	120.4425	4.198	11	117.5772	103.967	352
362	362	955	5:SPD6_SP3_SPD6	C[5x3,6x5,20x6]	C[5x3,6x5,20x6]	P[5]	6:6:6:6:6:4:	6:6:6:6:6:4:	6:3:4:1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,6x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:P[5]-4:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,6x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5]-4:	C[5x3,6x5,20x6]-6:C[6a]-3:C[5]-4:O-1:	C[5x3,6x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,20x6]H)2(C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(P[5]C[6a]C[5]O)	C[5x3,6x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,20x6]H)2(C[5x3,6x5,20x6]B[5x3,5x5,20x6]4P[5])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5]C[5]CH)	P[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[6a]C[6a]2)(C[5]C[5]HH)(O)	C[5x3,6x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,20x6]H)2(C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(P[5]C[6a]C[5]O){1|B<6>,1|C<4>,2|C<3>,8|H<1>}	C[5x3,6x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,20x6]H)2(C[5x3,6x5,20x6]B[5x3,5x5,20x6]4P[5])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5]C[5]CH){1|B<6>,1|C<3>,1|O<1>,7|H<1>}	P[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[6a]C[6a]2)(C[5]C[5]HH)(O){1|C<4>,2|C<3>,5|B<6>,7|H<1>}	107.3290	0.000	1	107.3290	0.000	1	107.3290	0.000	1	107.3290	0.000	1	109.6298	1.768	5	109.6298	1.768	5
362	362	955	5:SPD6_SP3_SPD6	C[5x3,6x5,20x6]	C[5x3,6x5,20x6]	P[5]	6:6:6:6:6:4:	6:6:6:6:6:6:	6:6:3:1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,6x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:P[5]-4:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,6x5,20x6]-6:C[5x3,6x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:	C[5x3,6x5,20x6]-6:C[5x3,6x5,20x6]-6:C[6a]-3:Se-1:	C[5x3,6x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,20x6]H)2(C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(P[5]C[5x3,6x5,20x6]C[6a]Se)	C[5x3,6x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,20x6]H)2(C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5x3,6x5,20x6]B[5x3,5x5,20x6]4P[5])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2	P[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])2(C[6a]C[6a]2)(Se)	C[5x3,6x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,20x6]H)2(C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(P[5]C[5x3,6x5,20x6]C[6a]Se){2|C<3>,5|H<1>,7|B<6>}	C[5x3,6x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,20x6]H)2(C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5x3,6x5,20x6]B[5x3,5x5,20x6]4P[5])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2{1|Se<1>,1|C<3>,6|B<6>,9|H<1>}	P[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])2(C[6a]C[6a]2)(Se){10|B<6>,10|H<1>,2|C<3>}	110.2755	0.426	2	110.2755	0.182	2	110.2755	0.182	2	110.2755	0.182	2	109.6298	1.768	5	109.6298	1.768	5
362	362	955	5:SPD6_SP3_SPD6	C[5x3,6x5,20x6]	C[5x3,6x5,20x6]	P[5]	6:6:6:6:6:4:	6:6:6:6:6:6:	6:6:4:1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,6x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:P[5]-4:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,6x5,20x6]-6:C[5x3,6x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:	C[5x3,6x5,20x6]-6:C[5x3,6x5,20x6]-6:C-4:Se-1:	C[5x3,6x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,20x6]H)2(C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(P[5]C[5x3,6x5,20x6]SeC)	C[5x3,6x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,20x6]H)2(C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5x3,6x5,20x6]B[5x3,5x5,20x6]4P[5])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2	P[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])2(CCHH)(Se)	C[5x3,6x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,20x6]H)2(C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(P[5]C[5x3,6x5,20x6]SeC){5|H<1>,7|B<6>}	C[5x3,6x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,20x6]H)2(C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5x3,6x5,20x6]B[5x3,5x5,20x6]4P[5])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2{1|Se<1>,1|C<4>,6|B<6>,9|H<1>}	P[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])2(CCHH)(Se){10|B<6>,8|H<1>}	110.1345	0.503	2	110.1345	0.253	2	110.1345	0.253	2	110.1345	0.253	2	109.6298	1.768	5	109.6298	1.768	5
362	362	968	0:SPD6_SP-NON_SPD6	C[3,4,6]	C[3,4,6]	H[3]	6:2:2:2:2:1:	6:5:2:2:1:1:	6:2:	C[3,4,6]-6:H[4]-2:S[6]-2:H[3]-2:H[3]-2:H-1:	C[3,4,6]-6:C[3,4]-5:H[3]-2:S[6]-2:H-1:H-1:	C[3,4,6]-6:H[3]-2:	C[3,4,6](C[3,4,6]C[3,4]H[3]S[6]HH)(H[4]C[3,4])(S[6]C[5,6])(H[3]H[3])2(H)	C[3,4,6](C[3,4,6]H[3]2H[4]S[6]H)(C[3,4]H[3]H[4]HH)(H[3]C[3,4])(S[6]C[5,6])(H)2	H[3](C[3,4,6]C[3,4,6]H[3]H[4]S[6]H)(H[3]C[3,4,6])	C[3,4,6](C[3,4,6]C[3,4]H[3]S[6]HH)(H[4]C[3,4])(S[6]C[5,6])(H[3]H[3])2(H){1|C<3>,1|S<2>,2|H<1>}	C[3,4,6](C[3,4,6]H[3]2H[4]S[6]H)(C[3,4]H[3]H[4]HH)(H[3]C[3,4])(S[6]C[5,6])(H)2{1|C<3>,1|S<2>}	H[3](C[3,4,6]C[3,4,6]H[3]H[4]S[6]H)(H[3]C[3,4,6])	114.5230	0.874	2	114.5230	0.764	2	114.5230	0.764	2	114.5230	0.764	2	112.3087	15.092	3	84.8431	1731.617	16
362	362	968	0:SPD6_SP-NON_SPD6	C[3,4,6]	C[3,4,6]	H[3]	6:5:2:2:1:1:	6:2:2:2:2:1:	6:5:	C[3,4,6]-6:C[3,4]-5:H[3]-2:S[6]-2:H-1:H-1:	C[3,4,6]-6:H[4]-2:S[6]-2:H[3]-2:H[3]-2:H-1:	C[3,4,6]-6:C[3,4]-5:	C[3,4,6](C[3,4,6]H[3]2H[4]S[6]H)(C[3,4]H[3]H[4]HH)(H[3]C[3,4])(S[6]C[5,6])(H)2	C[3,4,6](C[3,4,6]C[3,4]H[3]S[6]HH)(H[4]C[3,4])(S[6]C[5,6])(H[3]H[3])2(H)	H[3](C[3,4,6]C[3,4,6]C[3,4]S[6]HH)(C[3,4]C[3,4,6]H[4]HH)	C[3,4,6](C[3,4,6]H[3]2H[4]S[6]H)(C[3,4]H[3]H[4]HH)(H[3]C[3,4])(S[6]C[5,6])(H)2{1|C<3>,1|S<2>}	C[3,4,6](C[3,4,6]C[3,4]H[3]S[6]HH)(H[4]C[3,4])(S[6]C[5,6])(H[3]H[3])2(H){1|C<3>,1|S<2>,2|H<1>}	H[3](C[3,4,6]C[3,4,6]C[3,4]S[6]HH)(C[3,4]C[3,4,6]H[4]HH)	107.8800	0.000	1	107.8800	0.000	1	107.8800	0.000	1	107.8800	0.000	1	112.3087	15.092	3	84.8431	1731.617	16
362	362	968	0:SPD6_SP-NON_SPD6	C[3x3,4,5,5]	C[3,3x4,4x5]	H[3]	7:6:5:2:2:1:	7:6:2:2:4:1:	7:6:	C[3x3,3x4,5,5]-7:C[3,3x4,4x5]-6:S[4,5,5]-5:H[3]-2:H[3]-2:H-1:	C[3x3,3x4,5,5]-7:C[3x3,4,5,5]-6:H[4,4,5]-2:H[4,4,5]-2:C[4,5,5]-4:H-1:	C[3x3,3x4,5,5]-7:C[3x3,4,5,5]-6:	C[3x3,4,5,5](C[3x3,3x4,5,5]C[3,3x4,4x5]C[4x4,5,5]C[4,5,5]H[3]2H)(C[3,3x4,4x5]C[3x3,3x4,5,5]C[4,5,5]H[4,4,5]2H)(S[4,5,5]C[4x4,5,5]C[5]OO)(H[3]C[3x3,3x4,5,5])2(H)	C[3,3x4,4x5](C[3x3,3x4,5,5]C[3x3,4,5,5]C[4x4,5,5]C[4,5,5]H[3]2H)(C[3x3,4,5,5]C[3x3,3x4,5,5]S[4,5,5]H[3]2H)(H[4,4,5]C[4x4,5,5])2(C[4,5,5]H[4,5]2H)(H)	H[3](C[3x3,3x4,5,5]C[3,3x4,4x5]C[3x3,4,5,5]C[4x4,5,5]C[4,5,5]H[3]H)(C[3x3,4,5,5]C[3x3,3x4,5,5]C[3,3x4,4x5]S[4,5,5]H[3]H)	C[3x3,4,5,5](C[3x3,3x4,5,5]C[3,3x4,4x5]C[4x4,5,5]C[4,5,5]H[3]2H)(C[3,3x4,4x5]C[3x3,3x4,5,5]C[4,5,5]H[4,4,5]2H)(S[4,5,5]C[4x4,5,5]C[5]OO)(H[3]C[3x3,3x4,5,5])2(H){2|C<4>,2|H<2>,6|H<1>}	C[3,3x4,4x5](C[3x3,3x4,5,5]C[3x3,4,5,5]C[4x4,5,5]C[4,5,5]H[3]2H)(C[3x3,4,5,5]C[3x3,3x4,5,5]S[4,5,5]H[3]2H)(H[4,4,5]C[4x4,5,5])2(C[4,5,5]H[4,5]2H)(H){1|C<4>,2|O<1>,4|H<1>}	H[3](C[3x3,3x4,5,5]C[3,3x4,4x5]C[3x3,4,5,5]C[4x4,5,5]C[4,5,5]H[3]H)(C[3x3,4,5,5]C[3x3,3x4,5,5]C[3,3x4,4x5]S[4,5,5]H[3]H)	112.4620	3.813	2	112.4620	14.537	2	112.4620	14.537	2	112.4620	14.537	2	112.4620	14.537	2	84.8431	1731.617	16
362	362	968	0:SPD6_SP-NON_SPD6	C[3x3]	C[3,3]	H[3]	7:5:6:2:1:1:	7:6:6:1:1:1:	6:5:	C[4x3,4,4]-7:C[3,3,3x4]-5:C[3,3]-6:H[3]-2:H-1:H-1:	C[4x3,4,4]-7:C[3x3]-6:C[3x3]-6:H-1:H-1:H-1:	C[3x3]-6:C[3,3,3x4]-5:	C[3x3](C[4x3,4,4]C[3,3,3x4]C[3,3]2C[3x3]C[3x4]C)(C[3,3,3x4]C[4x3,4,4]H[4,4]2H[3])(C[3,3]C[4x3,4,4]C[3x3]H3)(H[3]C[3,3,3x4])(H)2	C[3,3](C[4x3,4,4]C[3,3,3x4]C[3,3]C[3x3]2C[3x4]C)(C[3x3]C[3,3,3x4]C[4x3,4,4]H[3]HH)(C[3x3]C[4x3,4,4]C[3,3]H[3]HH)(H)3	H[3](C[3x3]C[3,3,3x4]C[4x3,4,4]C[3,3]HH)(C[3,3,3x4]C[4x3,4,4]C[3x3]H[4,4]2)	C[3x3](C[4x3,4,4]C[3,3,3x4]C[3,3]2C[3x3]C[3x4]C)(C[3,3,3x4]C[4x3,4,4]H[4,4]2H[3])(C[3,3]C[4x3,4,4]C[3x3]H3)(H[3]C[3,3,3x4])(H)2{1|H<2>,5|H<1>}	C[3,3](C[4x3,4,4]C[3,3,3x4]C[3,3]C[3x3]2C[3x4]C)(C[3x3]C[3,3,3x4]C[4x3,4,4]H[3]HH)(C[3x3]C[4x3,4,4]C[3,3]H[3]HH)(H)3{2|H<2>,3|H<1>}	H[3](C[3x3]C[3,3,3x4]C[4x3,4,4]C[3,3]HH)(C[3,3,3x4]C[4x3,4,4]C[3x3]H[4,4]2)	160.3920	0.000	1	160.3920	0.000	1	160.3920	0.000	1	160.3920	0.000	1	162.4025	8.084	2	84.8431	1731.617	16
362	362	968	0:SPD6_SP-NON_SPD6	C[3x3]	C[3,3]	H[3]	7:6:5:2:1:1:	7:6:6:1:1:1:	6:5:	C[4x3,4,4]-7:C[3,3]-6:C[3,3]-5:H[3]-2:H-1:H-1:	C[4x3,4,4]-7:C[3x3]-6:C[3x3]-6:H-1:H-1:H-1:	C[3x3]-6:C[3,3]-5:	C[3x3](C[4x3,4,4]C[3,3,3x4]C[3,3]2C[3x3]C[3x4]C)(C[3,3]C[4x3,4,4]C[3x3]H3)(C[3,3]C[4x3,4,4]H[3]HH)(H[3]C[3,3])(H)2	C[3,3](C[4x3,4,4]C[3,3,3x4]C[3,3]C[3x3]2C[3x4]C)(C[3x3]C[3,3,3x4]C[4x3,4,4]H[3]HH)(C[3x3]C[4x3,4,4]C[3,3]H[3]HH)(H)3	H[3](C[3x3]C[4x3,4,4]C[3,3]2HH)(C[3,3]C[4x3,4,4]C[3x3]HH)	C[3x3](C[4x3,4,4]C[3,3,3x4]C[3,3]2C[3x3]C[3x4]C)(C[3,3]C[4x3,4,4]C[3x3]H3)(C[3,3]C[4x3,4,4]H[3]HH)(H[3]C[3,3])(H)2{3|H<1>,3|H<2>}	C[3,3](C[4x3,4,4]C[3,3,3x4]C[3,3]C[3x3]2C[3x4]C)(C[3x3]C[3,3,3x4]C[4x3,4,4]H[3]HH)(C[3x3]C[4x3,4,4]C[3,3]H[3]HH)(H)3{2|H<2>,3|H<1>}	H[3](C[3x3]C[4x3,4,4]C[3,3]2HH)(C[3,3]C[4x3,4,4]C[3x3]HH)	164.4130	0.000	1	164.4130	0.000	1	164.4130	0.000	1	164.4130	0.000	1	162.4025	8.084	2	84.8431	1731.617	16
362	362	968	0:SPD6_SP-NON_SPD6	C[3x3]	C[3x3]	H[3]	6:4:2:2:1:1:	6:4:2:2:1:1:	6:6:	C[3x3]-6:N[3]-4:H[3]-2:H[3]-2:H-1:H-1:	C[3x3]-6:N[3]-4:H[3]-2:H[3]-2:H-1:H-1:	C[3x3]-6:C[3x3]-6:	C[3x3](C[3x3]H[3]2N[3]HH)(N[3]C[3x3]CC)(H[3]C[3x3])2(H)2	C[3x3](C[3x3]H[3]2N[3]HH)(N[3]C[3x3]CC)(H[3]C[3x3])2(H)2	H[3](C[3x3]C[3x3]H[3]N[3]HH)2	C[3x3](C[3x3]H[3]2N[3]HH)(N[3]C[3x3]CC)(H[3]C[3x3])2(H)2	C[3x3](C[3x3]H[3]2N[3]HH)(N[3]C[3x3]CC)(H[3]C[3x3])2(H)2	H[3](C[3x3]C[3x3]H[3]N[3]HH)2	58.1835	5.653	4	58.1835	31.962	4	58.1835	31.962	4	58.1835	31.962	4	52.3150	72.395	9	84.8431	1731.617	16
362	362	968	0:SPD6_SP-NON_SPD6	C[3x3]	C[3x3]	H[3]	6:4:2:2:4:1:	6:4:2:2:4:1:	6:6:	C[3x3]-6:C[3]-4:H[3]-2:H[3]-2:C-4:H-1:	C[3x3]-6:C[3]-4:H[3]-2:H[3]-2:C-4:H-1:	C[3x3]-6:C[3x3]-6:	C[3x3](C[3x3]C[3]H[3]2CH)(C[3]C[3x3]HH)(H[3]C[3x3])2(CH3)(H)	C[3x3](C[3x3]C[3]H[3]2CH)(C[3]C[3x3]HH)(H[3]C[3x3])2(CH3)(H)	H[3](C[3x3]C[3x3]C[3]H[3]CH)2	C[3x3](C[3x3]C[3]H[3]2CH)(C[3]C[3x3]HH)(H[3]C[3x3])2(CH3)(H)	C[3x3](C[3x3]C[3]H[3]2CH)(C[3]C[3x3]HH)(H[3]C[3x3])2(CH3)(H)	H[3](C[3x3]C[3x3]C[3]H[3]CH)2	45.0443	5.848	4	45.0443	34.203	4	45.0443	34.203	4	45.0443	34.203	4	52.3150	72.395	9	84.8431	1731.617	16
362	362	968	0:SPD6_SP-NON_SPD6	C[3x3]	C[3x3]	H[3]	6:5:3:2:1:1:	7:5:6:3:1:1:	6:3:	C[3x3]-6:N[3x3]-5:H[3,3]-3:H[3]-2:H-1:H-1:	C[4x3]-7:N[3x3]-5:C[3x3]-6:H[3,3]-3:H-1:H-1:	C[3x3]-6:H[3,3]-3:	C[3x3](C[3x3]C[4x3]H[3,3]N[3x3]HH)(N[3x3]C[3,3]C[3x3]C[4x3]C)(H[3,3]C[3x3]H[3])(H[3]H[3,3])(H)2	C[3x3](C[4x3]C[3,3]H[3,3]N[3x3]H[3]HH)(N[3x3]C[3,3]C[3x3]C[4x3]C)(C[3x3]H[3,3]N[3x3]H[3]HH)(H[3,3]C[3x3]H[3])(H)2	H[3](C[3x3]C[3x3]H[3,3]N[3x3]HH)(H[3,3]C[3x3]2)	C[3x3](C[3x3]C[4x3]H[3,3]N[3x3]HH)(N[3x3]C[3,3]C[3x3]C[4x3]C)(H[3,3]C[3x3]H[3])(H[3]H[3,3])(H)2{1|H<2>,1|H<3>,4|H<1>}	C[3x3](C[4x3]C[3,3]H[3,3]N[3x3]H[3]HH)(N[3x3]C[3,3]C[3x3]C[4x3]C)(C[3x3]H[3,3]N[3x3]H[3]HH)(H[3,3]C[3x3]H[3])(H)2{2|H<1>}	H[3](C[3x3]C[3x3]H[3,3]N[3x3]HH)(H[3,3]C[3x3]2)	57.9237	0.000	1	57.9237	0.000	1	57.9237	0.000	1	57.9237	0.000	1	52.3150	72.395	9	84.8431	1731.617	16
362	362	983	0:SPD6_SP1_SPD6	C[5x3,5x5,20x6]	C[5x3,5x5,20x6]	C	6:6:6:6:6:2:	6:6:6:6:6:4:	6:2:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C-2:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C-4:	C[5x3,5x5,20x6]-6:C-2:	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(CC)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(CH3)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CC[6a])	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(CC){1|B<6>,5|H<1>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(CH3){1|B<6>,5|H<1>}	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CC[6a])	117.4540	0.000	1	117.4540	0.000	1	117.9140	0.671	4	117.9140	0.671	4	117.9140	0.671	4	117.9140	0.671	4
362	362	983	0:SPD6_SP1_SPD6	C[5x3,5x5,20x6]	C[5x3,5x5,20x6]	C	6:6:6:6:6:2:	6:6:6:6:6:4:	6:2:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C-2:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C-4:	C[5x3,5x5,20x6]-6:C-2:	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(CC)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(CCHH)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CC[6a])	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(CC){1|B<6>,5|H<1>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(CCHH){1|B<6>,5|H<1>}	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CC[6a])	117.4920	0.000	1	117.4920	0.000	1	117.9140	0.671	4	117.9140	0.671	4	117.9140	0.671	4	117.9140	0.671	4
362	362	983	0:SPD6_SP1_SPD6	C[5x3,5x5,20x6]	C[5x3,5x5,20x6]	C	6:6:6:6:6:2:	6:6:6:6:6:4:	6:2:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C-2:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C-4:	C[5x3,5x5,20x6]-6:C-2:	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(CC)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(CH3)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CC[6a])	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(CC){1|B<6>,5|H<1>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(CH3){1|B<6>,5|H<1>}	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CC[6a])	118.3550	1.112	2	118.3550	1.236	2	117.9140	0.671	4	117.9140	0.671	4	117.9140	0.671	4	117.9140	0.671	4
362	362	989	5:SPD6_SP2_SPD6	C[5x3,6x5,20x6]	C[5x3,6x5,20x6]	Si[5]	6:6:6:6:6:3:	6:6:6:6:6:3:	6:3:3:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,6x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:Si[5]-3:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,6x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5]-3:	C[5x3,6x5,20x6]-6:C[5]-3:N[5]-3:	C[5x3,6x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,20x6]H)2(C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(Si[5]C[5]N[5])	C[5x3,6x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,20x6]H)2(C[5x3,6x5,20x6]B[5x3,5x5,20x6]4Si[5])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5]N[5]N)	Si[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]N[5]2)(N[5]C[5]C)	C[5x3,6x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,20x6]H)2(C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(Si[5]C[5]N[5]){1|B<6>,1|C<4>,1|N<2>,2|N<3>,5|H<1>}	C[5x3,6x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,20x6]H)2(C[5x3,6x5,20x6]B[5x3,5x5,20x6]4Si[5])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5]N[5]N){1|B<6>,1|C<3>,1|C<4>,5|H<1>}	Si[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]N[5]2)(N[5]C[5]C){1|N<2>,2|C<3>,2|C<4>,4|H<1>,5|B<6>}	108.7110	0.000	1	108.7110	0.000	1	108.7110	0.000	1	108.7110	0.000	1	108.7110	0.000	1	108.7110	0.000	1
362	362	992	0:SPD6_SP3_SPD6	C[5x3,5x5,20x6]	C[5x3,5x5,20x6]	P	6:6:6:6:6:4:	6:6:6:6:6:1:	6:3:3:1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:P-4:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:H-1:	C[5x3,5x5,20x6]-6:C[6a]-3:C[6a]-3:S-1:	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(PC[6a]2S)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4P)(H)	P(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]2)2(S)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(PC[6a]2S){1|B<6>,5|H<1>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4P)(H){1|B<6>,5|H<1>}	P(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]2)2(S)	114.8210	0.000	1	114.8210	0.000	1	114.8210	0.000	1	114.8210	0.000	1	114.8210	0.000	1	114.8210	0.000	1
362	374	374	3:SPD6_SP3_SP3	C[3,3,4,4]	O[3,3]	O[3]	4:3:3:3:2:4:	6:3:2:	6:3:1:	C[3x4]-4:C[3x4]-3:O[3,3]-3:O[3]-3:H[3]-2:C-4:	C[3,3,4,4]-6:O[3]-3:H[3]-2:	C[3,3,4,4]-6:O[3,3]-3:H-1:	C[3,3,4,4](C[3x4]N[4,4,6]H[4,4]H)(C[3x4]N[4,4,6]H[4,4])(O[3,3]H[3]O[3])(O[3]O[3,3]H)(H[3]O[3,3])(CN[5a]HH)	O[3,3](C[3,3,4,4]C[3x4]2H[3]O[3]C)(O[3]C[3,3,4,4]H)(H[3]C[3,3,4,4])	O[3](C[3,3,4,4]C[3x4]2O[3,3]H[3]C)(O[3,3]C[3,3,4,4]H[3])(H)	C[3,3,4,4](C[3x4]N[4,4,6]H[4,4]H)(C[3x4]N[4,4,6]H[4,4])(O[3,3]H[3]O[3])(O[3]O[3,3]H)(H[3]O[3,3])(CN[5a]HH){2|C<4>}	O[3,3](C[3,3,4,4]C[3x4]2H[3]O[3]C)(O[3]C[3,3,4,4]H)(H[3]C[3,3,4,4]){1|H<1>,1|H<2>,1|N<4>}	O[3](C[3,3,4,4]C[3x4]2O[3,3]H[3]C)(O[3,3]C[3,3,4,4]H[3])(H){1|H<1>,1|H<2>,1|N<4>}	62.8974	0.000	1	62.8974	0.000	1	62.8974	0.000	1	62.8974	0.000	1	62.8974	0.000	1	62.8974	0.000	1
362	374	478	0:SPD6_SP3_SP3	C[3,3,4,4]	O[3,3]	C[3x4]	4:3:3:3:2:4:	6:3:2:	6:4:2:1:	C[3x4]-4:C[3x4]-3:O[3,3]-3:O[3]-3:H[3]-2:C-4:	C[3,3,4,4]-6:O[3]-3:H[3]-2:	C[3,3,4,4]-6:N[4,4,6]-4:H[4,4]-2:H-1:	C[3,3,4,4](C[3x4]N[4,4,6]H[4,4]H)(C[3x4]N[4,4,6]H[4,4])(O[3,3]H[3]O[3])(O[3]O[3,3]H)(H[3]O[3,3])(CN[5a]HH)	O[3,3](C[3,3,4,4]C[3x4]2H[3]O[3]C)(O[3]C[3,3,4,4]H)(H[3]C[3,3,4,4])	C[3x4](C[3,3,4,4]C[3x4]O[3,3]H[3]O[3]C)(N[4,4,6]C[3x4]C[6]2)(H[4,4]C[3x4])(H)	C[3,3,4,4](C[3x4]N[4,4,6]H[4,4]H)(C[3x4]N[4,4,6]H[4,4])(O[3,3]H[3]O[3])(O[3]O[3,3]H)(H[3]O[3,3])(CN[5a]HH){2|C<4>}	O[3,3](C[3,3,4,4]C[3x4]2H[3]O[3]C)(O[3]C[3,3,4,4]H)(H[3]C[3,3,4,4]){1|H<1>,1|H<2>,1|N<4>}	C[3x4](C[3,3,4,4]C[3x4]O[3,3]H[3]O[3]C)(N[4,4,6]C[3x4]C[6]2)(H[4,4]C[3x4])(H){2|C<4>,5|H<1>}	132.1730	0.000	1	132.1730	0.000	1	132.1730	0.000	1	132.1730	0.000	1	132.1730	0.000	1	123.4520	152.112	2
362	374	478	0:SPD6_SP3_SP3	C[3,3,4,4]	O[3]	C[3x4]	4:3:3:3:2:4:	6:3:1:	6:4:2:1:	C[3x4]-4:C[3x4]-3:O[3,3]-3:O[3]-3:H[3]-2:C-4:	C[3,3,4,4]-6:O[3,3]-3:H-1:	C[3,3,4,4]-6:N[4,4,6]-4:H[4,4]-2:H-1:	C[3,3,4,4](C[3x4]N[4,4,6]H[4,4]H)(C[3x4]N[4,4,6]H[4,4])(O[3,3]H[3]O[3])(O[3]O[3,3]H)(H[3]O[3,3])(CN[5a]HH)	O[3](C[3,3,4,4]C[3x4]2O[3,3]H[3]C)(O[3,3]C[3,3,4,4]H[3])(H)	C[3x4](C[3,3,4,4]C[3x4]O[3,3]H[3]O[3]C)(N[4,4,6]C[3x4]C[6]2)(H[4,4]C[3x4])(H)	C[3,3,4,4](C[3x4]N[4,4,6]H[4,4]H)(C[3x4]N[4,4,6]H[4,4])(O[3,3]H[3]O[3])(O[3]O[3,3]H)(H[3]O[3,3])(CN[5a]HH){2|C<4>}	O[3](C[3,3,4,4]C[3x4]2O[3,3]H[3]C)(O[3,3]C[3,3,4,4]H[3])(H){1|H<1>,1|H<2>,1|N<4>}	C[3x4](C[3,3,4,4]C[3x4]O[3,3]H[3]O[3]C)(N[4,4,6]C[3x4]C[6]2)(H[4,4]C[3x4])(H){2|C<4>,5|H<1>}	114.7310	0.000	1	114.7310	0.000	1	114.7310	0.000	1	114.7310	0.000	1	114.7310	0.000	1	123.4520	152.112	2
362	374	490	0:SPD6_SP3_SP3	C[3,3,4,4]	O[3,3]	C	4:3:3:3:2:4:	6:3:2:	6:3:1:1:	C[3x4]-4:C[3x4]-3:O[3,3]-3:O[3]-3:H[3]-2:C-4:	C[3,3,4,4]-6:O[3]-3:H[3]-2:	C[3,3,4,4]-6:N[5a]-3:H-1:H-1:	C[3,3,4,4](C[3x4]N[4,4,6]H[4,4]H)(C[3x4]N[4,4,6]H[4,4])(O[3,3]H[3]O[3])(O[3]O[3,3]H)(H[3]O[3,3])(CN[5a]HH)	O[3,3](C[3,3,4,4]C[3x4]2H[3]O[3]C)(O[3]C[3,3,4,4]H)(H[3]C[3,3,4,4])	C(C[3,3,4,4]C[3x4]2O[3,3]H[3]O[3])(N[5a]C[5a,6a]C[5a])(H)2	C[3,3,4,4](C[3x4]N[4,4,6]H[4,4]H)(C[3x4]N[4,4,6]H[4,4])(O[3,3]H[3]O[3])(O[3]O[3,3]H)(H[3]O[3,3])(CN[5a]HH){2|C<4>}	O[3,3](C[3,3,4,4]C[3x4]2H[3]O[3]C)(O[3]C[3,3,4,4]H)(H[3]C[3,3,4,4]){1|H<1>,1|H<2>,1|N<4>}	C(C[3,3,4,4]C[3x4]2O[3,3]H[3]O[3])(N[5a]C[5a,6a]C[5a])(H)2	112.5480	0.000	1	112.5480	0.000	1	112.5480	0.000	1	112.5480	0.000	1	112.5480	0.000	1	109.6960	16.268	2
362	374	490	0:SPD6_SP3_SP3	C[3,3,4,4]	O[3]	C	4:3:3:3:2:4:	6:3:1:	6:3:1:1:	C[3x4]-4:C[3x4]-3:O[3,3]-3:O[3]-3:H[3]-2:C-4:	C[3,3,4,4]-6:O[3,3]-3:H-1:	C[3,3,4,4]-6:N[5a]-3:H-1:H-1:	C[3,3,4,4](C[3x4]N[4,4,6]H[4,4]H)(C[3x4]N[4,4,6]H[4,4])(O[3,3]H[3]O[3])(O[3]O[3,3]H)(H[3]O[3,3])(CN[5a]HH)	O[3](C[3,3,4,4]C[3x4]2O[3,3]H[3]C)(O[3,3]C[3,3,4,4]H[3])(H)	C(C[3,3,4,4]C[3x4]2O[3,3]H[3]O[3])(N[5a]C[5a,6a]C[5a])(H)2	C[3,3,4,4](C[3x4]N[4,4,6]H[4,4]H)(C[3x4]N[4,4,6]H[4,4])(O[3,3]H[3]O[3])(O[3]O[3,3]H)(H[3]O[3,3])(CN[5a]HH){2|C<4>}	O[3](C[3,3,4,4]C[3x4]2O[3,3]H[3]C)(O[3,3]C[3,3,4,4]H[3])(H){1|H<1>,1|H<2>,1|N<4>}	C(C[3,3,4,4]C[3x4]2O[3,3]H[3]O[3])(N[5a]C[5a,6a]C[5a])(H)2	106.8440	0.000	1	106.8440	0.000	1	106.8440	0.000	1	106.8440	0.000	1	106.8440	0.000	1	109.6960	16.268	2
362	374	846	0:SPD6_SP2_SP3	C[3,3,4,4]	O[3,3]	C[3x4]	4:3:3:3:2:4:	6:3:2:	6:4:2:	C[3x4]-4:C[3x4]-3:O[3,3]-3:O[3]-3:H[3]-2:C-4:	C[3,3,4,4]-6:O[3]-3:H[3]-2:	C[3,3,4,4]-6:N[4,4,6]-4:H[4,4]-2:	C[3,3,4,4](C[3x4]N[4,4,6]H[4,4]H)(C[3x4]N[4,4,6]H[4,4])(O[3,3]H[3]O[3])(O[3]O[3,3]H)(H[3]O[3,3])(CN[5a]HH)	O[3,3](C[3,3,4,4]C[3x4]2H[3]O[3]C)(O[3]C[3,3,4,4]H)(H[3]C[3,3,4,4])	C[3x4](C[3,3,4,4]C[3x4]O[3,3]H[3]O[3]C)(N[4,4,6]C[3x4]C[6]2)(H[4,4]C[3x4])	C[3,3,4,4](C[3x4]N[4,4,6]H[4,4]H)(C[3x4]N[4,4,6]H[4,4])(O[3,3]H[3]O[3])(O[3]O[3,3]H)(H[3]O[3,3])(CN[5a]HH){2|C<4>}	O[3,3](C[3,3,4,4]C[3x4]2H[3]O[3]C)(O[3]C[3,3,4,4]H)(H[3]C[3,3,4,4]){1|H<1>,1|H<2>,1|N<4>}	C[3x4](C[3,3,4,4]C[3x4]O[3,3]H[3]O[3]C)(N[4,4,6]C[3x4]C[6]2)(H[4,4]C[3x4]){2|C<4>,6|H<1>}	108.6530	0.000	1	108.6530	0.000	1	108.6530	0.000	1	108.6530	0.000	1	108.6530	0.000	1	119.5845	238.995	2
362	374	846	0:SPD6_SP2_SP3	C[3,3,4,4]	O[3]	C[3x4]	4:3:3:3:2:4:	6:3:1:	6:4:2:	C[3x4]-4:C[3x4]-3:O[3,3]-3:O[3]-3:H[3]-2:C-4:	C[3,3,4,4]-6:O[3,3]-3:H-1:	C[3,3,4,4]-6:N[4,4,6]-4:H[4,4]-2:	C[3,3,4,4](C[3x4]N[4,4,6]H[4,4]H)(C[3x4]N[4,4,6]H[4,4])(O[3,3]H[3]O[3])(O[3]O[3,3]H)(H[3]O[3,3])(CN[5a]HH)	O[3](C[3,3,4,4]C[3x4]2O[3,3]H[3]C)(O[3,3]C[3,3,4,4]H[3])(H)	C[3x4](C[3,3,4,4]C[3x4]O[3,3]H[3]O[3]C)(N[4,4,6]C[3x4]C[6]2)(H[4,4]C[3x4])	C[3,3,4,4](C[3x4]N[4,4,6]H[4,4]H)(C[3x4]N[4,4,6]H[4,4])(O[3,3]H[3]O[3])(O[3]O[3,3]H)(H[3]O[3,3])(CN[5a]HH){2|C<4>}	O[3](C[3,3,4,4]C[3x4]2O[3,3]H[3]C)(O[3,3]C[3,3,4,4]H[3])(H){1|H<1>,1|H<2>,1|N<4>}	C[3x4](C[3,3,4,4]C[3x4]O[3,3]H[3]O[3]C)(N[4,4,6]C[3x4]C[6]2)(H[4,4]C[3x4]){2|C<4>,6|H<1>}	130.5160	0.000	1	130.5160	0.000	1	130.5160	0.000	1	130.5160	0.000	1	130.5160	0.000	1	119.5845	238.995	2
362	374	968	0:SPD6_SP-NON_SP3	C[3,3,4,4]	O[3,3]	H[3]	4:3:3:3:2:4:	6:3:2:	6:3:	C[3x4]-4:C[3x4]-3:O[3,3]-3:O[3]-3:H[3]-2:C-4:	C[3,3,4,4]-6:O[3]-3:H[3]-2:	C[3,3,4,4]-6:O[3,3]-3:	C[3,3,4,4](C[3x4]N[4,4,6]H[4,4]H)(C[3x4]N[4,4,6]H[4,4])(O[3,3]H[3]O[3])(O[3]O[3,3]H)(H[3]O[3,3])(CN[5a]HH)	O[3,3](C[3,3,4,4]C[3x4]2H[3]O[3]C)(O[3]C[3,3,4,4]H)(H[3]C[3,3,4,4])	H[3](C[3,3,4,4]C[3x4]2O[3,3]O[3]C)(O[3,3]C[3,3,4,4]O[3])	C[3,3,4,4](C[3x4]N[4,4,6]H[4,4]H)(C[3x4]N[4,4,6]H[4,4])(O[3,3]H[3]O[3])(O[3]O[3,3]H)(H[3]O[3,3])(CN[5a]HH){2|C<4>}	O[3,3](C[3,3,4,4]C[3x4]2H[3]O[3]C)(O[3]C[3,3,4,4]H)(H[3]C[3,3,4,4]){1|H<1>,1|H<2>,1|N<4>}	H[3](C[3,3,4,4]C[3x4]2O[3,3]O[3]C)(O[3,3]C[3,3,4,4]O[3])	43.3374	0.000	1	43.3374	0.000	1	43.3374	0.000	1	43.3374	0.000	1	43.3374	0.000	1	74.2277	1908.421	2
362	374	968	0:SPD6_SP-NON_SP3	C[3,3,4,4]	O[3]	H[3]	4:3:3:3:2:4:	6:3:1:	6:3:	C[3x4]-4:C[3x4]-3:O[3,3]-3:O[3]-3:H[3]-2:C-4:	C[3,3,4,4]-6:O[3,3]-3:H-1:	C[3,3,4,4]-6:O[3,3]-3:	C[3,3,4,4](C[3x4]N[4,4,6]H[4,4]H)(C[3x4]N[4,4,6]H[4,4])(O[3,3]H[3]O[3])(O[3]O[3,3]H)(H[3]O[3,3])(CN[5a]HH)	O[3](C[3,3,4,4]C[3x4]2O[3,3]H[3]C)(O[3,3]C[3,3,4,4]H[3])(H)	H[3](C[3,3,4,4]C[3x4]2O[3,3]O[3]C)(O[3,3]C[3,3,4,4]O[3])	C[3,3,4,4](C[3x4]N[4,4,6]H[4,4]H)(C[3x4]N[4,4,6]H[4,4])(O[3,3]H[3]O[3])(O[3]O[3,3]H)(H[3]O[3,3])(CN[5a]HH){2|C<4>}	O[3](C[3,3,4,4]C[3x4]2O[3,3]H[3]C)(O[3,3]C[3,3,4,4]H[3])(H){1|H<1>,1|H<2>,1|N<4>}	H[3](C[3,3,4,4]C[3x4]2O[3,3]O[3]C)(O[3,3]C[3,3,4,4]O[3])	105.1180	0.000	1	105.1180	0.000	1	105.1180	0.000	1	105.1180	0.000	1	105.1180	0.000	1	74.2277	1908.421	2
362	382	490	0:SPD6_SP3_SPD7	C[5x3,4x5,16x6]	B[6x3,6x5,36x6]	C	6:6:6:6:7:4:	6:6:6:6:6:6:1:	6:1:1:1:	B[5x3,4x5,16x6]-6:B[5x3,4x5,16x6]-6:B[5x3,4x5,16x6]-6:B[5x3,4x5,16x6]-6:B[6x3,6x5,36x6]-7:C-4:	B[5x3,4x5,16x6]-6:B[5x3,4x5,16x6]-6:B[5x3,4x5,16x6]-6:B[5x3,4x5,16x6]-6:B[5x3,4x5,16x6]-6:C[5x3,4x5,16x6]-6:H-1:	C[5x3,4x5,16x6]-6:H-1:H-1:H-1:	C[5x3,4x5,16x6](B[5x3,4x5,16x6]B[5x3,4x5,16x6]2B[6x3,6x5,36x6]C[5x3,4x5,16x6]H)2(B[5x3,4x5,16x6]B[5x3,4x5,16x6]3B[6x3,6x5,36x6]H)2(B[6x3,6x5,36x6]B[5x3,4x5,16x6]5H)(CH3)	B[6x3,6x5,36x6](B[5x3,4x5,16x6]B[5x3,4x5,16x6]2C[5x3,4x5,16x6]2H)(B[5x3,4x5,16x6]B[5x3,4x5,16x6]3C[5x3,4x5,16x6]H)2(B[5x3,4x5,16x6]B[5x3,4x5,16x6]4H)2(C[5x3,4x5,16x6]B[5x3,4x5,16x6]4C)(H)	C(C[5x3,4x5,16x6]B[5x3,4x5,16x6]4B[6x3,6x5,36x6])(H)3	C[5x3,4x5,16x6](B[5x3,4x5,16x6]B[5x3,4x5,16x6]2B[6x3,6x5,36x6]C[5x3,4x5,16x6]H)2(B[5x3,4x5,16x6]B[5x3,4x5,16x6]3B[6x3,6x5,36x6]H)2(B[6x3,6x5,36x6]B[5x3,4x5,16x6]5H)(CH3){1|C<4>,2|B<6>,5|H<1>}	B[6x3,6x5,36x6](B[5x3,4x5,16x6]B[5x3,4x5,16x6]2C[5x3,4x5,16x6]2H)(B[5x3,4x5,16x6]B[5x3,4x5,16x6]3C[5x3,4x5,16x6]H)2(B[5x3,4x5,16x6]B[5x3,4x5,16x6]4H)2(C[5x3,4x5,16x6]B[5x3,4x5,16x6]4C)(H){1|B<7>,1|C<4>,5|H<1>}	C(C[5x3,4x5,16x6]B[5x3,4x5,16x6]4B[6x3,6x5,36x6])(H)3	122.9160	0.000	1	122.9160	0.000	1	122.9160	0.000	1	122.9160	0.000	1	122.9160	0.000	1	122.9160	0.000	1
362	398	398	0:SPD6_SP-NON_SP-NON	C[3,3,5x4,14x5,6]	H[3,3,4,4,5,5]	H[3,3,4,4,5,5]	6:3:3:3:3:3:	6:6:3:	6:6:3:	C[3,8x4,8x5,6,6]-6:H[3,3,4,4,5,5]-3:H[3,3,4,4,5,5]-3:S[3x4,5,5,3x6]-3:H[3,3,7x5]-3:H[3,3,7x5]-3:	C[3,8x4,8x5,6,6]-6:C[3,3,5x4,14x5,6]-6:H[3,3,4,4,5,5]-3:	C[3,8x4,8x5,6,6]-6:C[3,3,5x4,14x5,6]-6:H[3,3,4,4,5,5]-3:	C[3,3,5x4,14x5,6](C[3,8x4,8x5,6,6]C[3,8x4,8x5,6,6]H[3,3,4,4,5,5]2S[3x4,5,5,3x6]H)(H[3,3,4,4,5,5]C[3,8x4,8x5,6,6]H[3,3,4,4,5,5])2(S[3x4,5,5,3x6]C[3,8x4,8x5,6,6]C[5,3x6])(H[3,3,7x5]C[3,3,5x4,14x5,6]H[3,3,7x5])2	H[3,3,4,4,5,5](C[3,8x4,8x5,6,6]C[3,3,5x4,14x5,6]C[3,8x4,8x5,6,6]H[3,3,4,4,5,5]S[3x4,5,5,3x6]H)(C[3,3,5x4,14x5,6]C[3,8x4,8x5,6,6]H[3,3,4,4,5,5]S[3x4,5,5,3x6]H[3,3,7x5]2)(H[3,3,4,4,5,5]C[3,3,5x4,14x5,6]C[3,8x4,8x5,6,6])	H[3,3,4,4,5,5](C[3,8x4,8x5,6,6]C[3,3,5x4,14x5,6]C[3,8x4,8x5,6,6]H[3,3,4,4,5,5]S[3x4,5,5,3x6]H)(C[3,3,5x4,14x5,6]C[3,8x4,8x5,6,6]H[3,3,4,4,5,5]S[3x4,5,5,3x6]H[3,3,7x5]2)(H[3,3,4,4,5,5]C[3,3,5x4,14x5,6]C[3,8x4,8x5,6,6])	C[3,3,5x4,14x5,6](C[3,8x4,8x5,6,6]C[3,8x4,8x5,6,6]H[3,3,4,4,5,5]2S[3x4,5,5,3x6]H)(H[3,3,4,4,5,5]C[3,8x4,8x5,6,6]H[3,3,4,4,5,5])2(S[3x4,5,5,3x6]C[3,8x4,8x5,6,6]C[5,3x6])(H[3,3,7x5]C[3,3,5x4,14x5,6]H[3,3,7x5])2{1|C<3>,1|H<1>,1|S<2>}	H[3,3,4,4,5,5](C[3,8x4,8x5,6,6]C[3,3,5x4,14x5,6]C[3,8x4,8x5,6,6]H[3,3,4,4,5,5]S[3x4,5,5,3x6]H)(C[3,3,5x4,14x5,6]C[3,8x4,8x5,6,6]H[3,3,4,4,5,5]S[3x4,5,5,3x6]H[3,3,7x5]2)(H[3,3,4,4,5,5]C[3,3,5x4,14x5,6]C[3,8x4,8x5,6,6])	H[3,3,4,4,5,5](C[3,8x4,8x5,6,6]C[3,3,5x4,14x5,6]C[3,8x4,8x5,6,6]H[3,3,4,4,5,5]S[3x4,5,5,3x6]H)(C[3,3,5x4,14x5,6]C[3,8x4,8x5,6,6]H[3,3,4,4,5,5]S[3x4,5,5,3x6]H[3,3,7x5]2)(H[3,3,4,4,5,5]C[3,3,5x4,14x5,6]C[3,8x4,8x5,6,6])	23.0057	0.000	1	23.0057	0.000	1	23.0057	0.000	1	23.0057	0.000	1	23.0057	0.000	1	80.7241	2595.642	7
362	398	398	0:SPD6_SP-NON_SP-NON	C[3,3,5x4,14x5,6]	H[3,3,4,4,5,5]	H[3,3,7x5]	6:3:3:3:3:3:	6:6:3:	6:6:3:	C[3,8x4,8x5,6,6]-6:H[3,3,4,4,5,5]-3:H[3,3,4,4,5,5]-3:S[3x4,5,5,3x6]-3:H[3,3,7x5]-3:H[3,3,7x5]-3:	C[3,8x4,8x5,6,6]-6:C[3,3,5x4,14x5,6]-6:H[3,3,4,4,5,5]-3:	C[3,3,5x4,14x5,6]-6:C[3,3,5x4,14x5,6]-6:H[3,3,7x5]-3:	C[3,3,5x4,14x5,6](C[3,8x4,8x5,6,6]C[3,8x4,8x5,6,6]H[3,3,4,4,5,5]2S[3x4,5,5,3x6]H)(H[3,3,4,4,5,5]C[3,8x4,8x5,6,6]H[3,3,4,4,5,5])2(S[3x4,5,5,3x6]C[3,8x4,8x5,6,6]C[5,3x6])(H[3,3,7x5]C[3,3,5x4,14x5,6]H[3,3,7x5])2	H[3,3,4,4,5,5](C[3,8x4,8x5,6,6]C[3,3,5x4,14x5,6]C[3,8x4,8x5,6,6]H[3,3,4,4,5,5]S[3x4,5,5,3x6]H)(C[3,3,5x4,14x5,6]C[3,8x4,8x5,6,6]H[3,3,4,4,5,5]S[3x4,5,5,3x6]H[3,3,7x5]2)(H[3,3,4,4,5,5]C[3,3,5x4,14x5,6]C[3,8x4,8x5,6,6])	H[3,3,7x5](C[3,3,5x4,14x5,6]C[3,8x4,8x5,6,6]H[3,3,4,4,5,5]2S[3x4,5,5,3x6]H[3,3,7x5])2(H[3,3,7x5]C[3,3,5x4,14x5,6]2)	C[3,3,5x4,14x5,6](C[3,8x4,8x5,6,6]C[3,8x4,8x5,6,6]H[3,3,4,4,5,5]2S[3x4,5,5,3x6]H)(H[3,3,4,4,5,5]C[3,8x4,8x5,6,6]H[3,3,4,4,5,5])2(S[3x4,5,5,3x6]C[3,8x4,8x5,6,6]C[5,3x6])(H[3,3,7x5]C[3,3,5x4,14x5,6]H[3,3,7x5])2{1|C<3>,1|H<1>,1|S<2>}	H[3,3,4,4,5,5](C[3,8x4,8x5,6,6]C[3,3,5x4,14x5,6]C[3,8x4,8x5,6,6]H[3,3,4,4,5,5]S[3x4,5,5,3x6]H)(C[3,3,5x4,14x5,6]C[3,8x4,8x5,6,6]H[3,3,4,4,5,5]S[3x4,5,5,3x6]H[3,3,7x5]2)(H[3,3,4,4,5,5]C[3,3,5x4,14x5,6]C[3,8x4,8x5,6,6])	H[3,3,7x5](C[3,3,5x4,14x5,6]C[3,8x4,8x5,6,6]H[3,3,4,4,5,5]2S[3x4,5,5,3x6]H[3,3,7x5])2(H[3,3,7x5]C[3,3,5x4,14x5,6]2)	120.8780	12.864	4	120.8780	165.485	4	120.8780	165.485	4	120.8780	165.485	4	120.8780	165.485	4	80.7241	2595.642	7
362	398	398	0:SPD6_SP-NON_SP-NON	C[3,3,5x4,14x5,6]	H[3,3,7x5]	H[3,3,7x5]	6:3:3:3:3:3:	6:6:3:	6:6:3:	C[3,8x4,8x5,6,6]-6:H[3,3,4,4,5,5]-3:H[3,3,4,4,5,5]-3:S[3x4,5,5,3x6]-3:H[3,3,7x5]-3:H[3,3,7x5]-3:	C[3,3,5x4,14x5,6]-6:C[3,3,5x4,14x5,6]-6:H[3,3,7x5]-3:	C[3,3,5x4,14x5,6]-6:C[3,3,5x4,14x5,6]-6:H[3,3,7x5]-3:	C[3,3,5x4,14x5,6](C[3,8x4,8x5,6,6]C[3,8x4,8x5,6,6]H[3,3,4,4,5,5]2S[3x4,5,5,3x6]H)(H[3,3,4,4,5,5]C[3,8x4,8x5,6,6]H[3,3,4,4,5,5])2(S[3x4,5,5,3x6]C[3,8x4,8x5,6,6]C[5,3x6])(H[3,3,7x5]C[3,3,5x4,14x5,6]H[3,3,7x5])2	H[3,3,7x5](C[3,3,5x4,14x5,6]C[3,8x4,8x5,6,6]H[3,3,4,4,5,5]2S[3x4,5,5,3x6]H[3,3,7x5])2(H[3,3,7x5]C[3,3,5x4,14x5,6]2)	H[3,3,7x5](C[3,3,5x4,14x5,6]C[3,8x4,8x5,6,6]H[3,3,4,4,5,5]2S[3x4,5,5,3x6]H[3,3,7x5])2(H[3,3,7x5]C[3,3,5x4,14x5,6]2)	C[3,3,5x4,14x5,6](C[3,8x4,8x5,6,6]C[3,8x4,8x5,6,6]H[3,3,4,4,5,5]2S[3x4,5,5,3x6]H)(H[3,3,4,4,5,5]C[3,8x4,8x5,6,6]H[3,3,4,4,5,5])2(S[3x4,5,5,3x6]C[3,8x4,8x5,6,6]C[5,3x6])(H[3,3,7x5]C[3,3,5x4,14x5,6]H[3,3,7x5])2{1|C<3>,1|H<1>,1|S<2>}	H[3,3,7x5](C[3,3,5x4,14x5,6]C[3,8x4,8x5,6,6]H[3,3,4,4,5,5]2S[3x4,5,5,3x6]H[3,3,7x5])2(H[3,3,7x5]C[3,3,5x4,14x5,6]2)	H[3,3,7x5](C[3,3,5x4,14x5,6]C[3,8x4,8x5,6,6]H[3,3,4,4,5,5]2S[3x4,5,5,3x6]H[3,3,7x5])2(H[3,3,7x5]C[3,3,5x4,14x5,6]2)	28.1126	0.000	1	28.1126	0.000	1	28.1126	0.000	1	28.1126	0.000	1	28.1126	0.000	1	80.7241	2595.642	7
362	398	398	0:SPD6_SP-NON_SP-NON	C[3,8x4,8x5,6,6]	H[3,3,4,4,5,5]	H[3,3,4,4,5,5]	6:6:3:3:3:1:	6:6:3:	6:6:3:	C[3,8x4,8x5,6,6]-6:C[3,3,5x4,14x5,6]-6:H[3,3,4,4,5,5]-3:H[3,3,4,4,5,5]-3:S[3x4,5,5,3x6]-3:H-1:	C[3,8x4,8x5,6,6]-6:C[3,3,5x4,14x5,6]-6:H[3,3,4,4,5,5]-3:	C[3,8x4,8x5,6,6]-6:C[3,3,5x4,14x5,6]-6:H[3,3,4,4,5,5]-3:	C[3,8x4,8x5,6,6](C[3,8x4,8x5,6,6]C[3,3,5x4,14x5,6]H[3,3,4,4,5,5]2S[3x4,5,5,3x6]H)(C[3,3,5x4,14x5,6]H[3,3,4,4,5,5]2S[3x4,5,5,3x6]H[3,3,7x5]2)(H[3,3,4,4,5,5]C[3,3,5x4,14x5,6]H[3,3,4,4,5,5])2(S[3x4,5,5,3x6]C[3,3,5x4,14x5,6]C[5,3x6])(H)	H[3,3,4,4,5,5](C[3,8x4,8x5,6,6]C[3,3,5x4,14x5,6]C[3,8x4,8x5,6,6]H[3,3,4,4,5,5]S[3x4,5,5,3x6]H)(C[3,3,5x4,14x5,6]C[3,8x4,8x5,6,6]H[3,3,4,4,5,5]S[3x4,5,5,3x6]H[3,3,7x5]2)(H[3,3,4,4,5,5]C[3,3,5x4,14x5,6]C[3,8x4,8x5,6,6])	H[3,3,4,4,5,5](C[3,8x4,8x5,6,6]C[3,3,5x4,14x5,6]C[3,8x4,8x5,6,6]H[3,3,4,4,5,5]S[3x4,5,5,3x6]H)(C[3,3,5x4,14x5,6]C[3,8x4,8x5,6,6]H[3,3,4,4,5,5]S[3x4,5,5,3x6]H[3,3,7x5]2)(H[3,3,4,4,5,5]C[3,3,5x4,14x5,6]C[3,8x4,8x5,6,6])	C[3,8x4,8x5,6,6](C[3,8x4,8x5,6,6]C[3,3,5x4,14x5,6]H[3,3,4,4,5,5]2S[3x4,5,5,3x6]H)(C[3,3,5x4,14x5,6]H[3,3,4,4,5,5]2S[3x4,5,5,3x6]H[3,3,7x5]2)(H[3,3,4,4,5,5]C[3,3,5x4,14x5,6]H[3,3,4,4,5,5])2(S[3x4,5,5,3x6]C[3,3,5x4,14x5,6]C[5,3x6])(H){1|C<3>,1|S<2>}	H[3,3,4,4,5,5](C[3,8x4,8x5,6,6]C[3,3,5x4,14x5,6]C[3,8x4,8x5,6,6]H[3,3,4,4,5,5]S[3x4,5,5,3x6]H)(C[3,3,5x4,14x5,6]C[3,8x4,8x5,6,6]H[3,3,4,4,5,5]S[3x4,5,5,3x6]H[3,3,7x5]2)(H[3,3,4,4,5,5]C[3,3,5x4,14x5,6]C[3,8x4,8x5,6,6])	H[3,3,4,4,5,5](C[3,8x4,8x5,6,6]C[3,3,5x4,14x5,6]C[3,8x4,8x5,6,6]H[3,3,4,4,5,5]S[3x4,5,5,3x6]H)(C[3,3,5x4,14x5,6]C[3,8x4,8x5,6,6]H[3,3,4,4,5,5]S[3x4,5,5,3x6]H[3,3,7x5]2)(H[3,3,4,4,5,5]C[3,3,5x4,14x5,6]C[3,8x4,8x5,6,6])	30.4382	0.000	1	30.4382	0.000	1	30.4382	0.000	1	30.4382	0.000	1	30.4382	0.000	1	80.7241	2595.642	7
362	398	778	0:SPD6_SP-NON_SPD5	C[4x3,4,4,5]	H[3,4,4,5]	C[4x3,4,4,5]	7:5:4:3:2:1:	6:4:2:	7:6:4:5:3:	C[6x3,4,4]-7:C[4x3,4,4,5]-5:O[4x3,4,4]-4:H[3,4,4,5]-3:H[3]-2:H-1:	C[4x3,4,4,5]-6:C[3,4x4,5]-4:H[3]-2:	C[6x3,4,4]-7:C[4x3,4,4,5]-6:O[4x3,4,4]-4:C[4,4,5]-5:H[3,3]-3:	C[4x3,4,4,5](C[6x3,4,4]C[4x3,4,4,5]C[3,4x4,5]O[4x3,4,4]H[3,3]H[3]H)(C[4x3,4,4,5]C[6x3,4,4]O[4x3,4,4]C[4,4,5]H[3,3])(O[4x3,4,4]C[4x3,4,4,5]C[3,4x4,5]C[6x3,4,4])(H[3,4,4,5]C[3,4x4,5]H[3])(H[3]H[3,4,4,5])(H)	H[3,4,4,5](C[4x3,4,4,5]C[4x3,4,4,5]C[6x3,4,4]O[4x3,4,4]H[3]H)(C[3,4x4,5]C[6x3,4,4]O[4x3,4,4]C[4,4,5])(H[3]C[4x3,4,4,5])	C[4x3,4,4,5](C[6x3,4,4]C[4x3,4,4,5]C[3,4x4,5]O[4x3,4,4]H[3,3]H[3]H)(C[4x3,4,4,5]C[6x3,4,4]H[3,4,4,5]O[4x3,4,4]H[3]H)(O[4x3,4,4]C[4x3,4,4,5]C[3,4x4,5]C[6x3,4,4])(C[4,4,5]C[3,4x4,5]HHO)(H[3,3]C[6x3,4,4]H[3])	C[4x3,4,4,5](C[6x3,4,4]C[4x3,4,4,5]C[3,4x4,5]O[4x3,4,4]H[3,3]H[3]H)(C[4x3,4,4,5]C[6x3,4,4]O[4x3,4,4]C[4,4,5]H[3,3])(O[4x3,4,4]C[4x3,4,4,5]C[3,4x4,5]C[6x3,4,4])(H[3,4,4,5]C[3,4x4,5]H[3])(H[3]H[3,4,4,5])(H){1|O<2>,2|H<1>}	H[3,4,4,5](C[4x3,4,4,5]C[4x3,4,4,5]C[6x3,4,4]O[4x3,4,4]H[3]H)(C[3,4x4,5]C[6x3,4,4]O[4x3,4,4]C[4,4,5])(H[3]C[4x3,4,4,5])	C[4x3,4,4,5](C[6x3,4,4]C[4x3,4,4,5]C[3,4x4,5]O[4x3,4,4]H[3,3]H[3]H)(C[4x3,4,4,5]C[6x3,4,4]H[3,4,4,5]O[4x3,4,4]H[3]H)(O[4x3,4,4]C[4x3,4,4,5]C[3,4x4,5]C[6x3,4,4])(C[4,4,5]C[3,4x4,5]HHO)(H[3,3]C[6x3,4,4]H[3])	91.8928	0.000	1	91.8928	0.000	1	91.8928	0.000	1	91.8928	0.000	1	91.8928	0.000	1	91.8928	0.000	1
362	398	782	0:SPD6_SP-NON_SPD5	C[3x3]	H[3,3]	N[3x3]	6:5:3:2:1:1:	6:6:2:	7:6:6:5:2:	C[3x3]-6:N[3x3]-5:H[3,3]-3:H[3]-2:H-1:H-1:	C[3x3]-6:C[3x3]-6:H[3]-2:	C[4x3]-7:C[3x3]-6:C[3x3]-6:C[3,3]-5:C-2:	C[3x3](C[3x3]C[4x3]H[3,3]N[3x3]HH)(N[3x3]C[3,3]C[3x3]C[4x3]C)(H[3,3]C[3x3]H[3])(H[3]H[3,3])(H)2	H[3,3](C[3x3]C[3x3]C[4x3]N[3x3]HH)(C[3x3]C[3x3]N[3x3]H[3]HH)(H[3]C[3x3])	N[3x3](C[4x3]C[3,3]C[3x3]H[3,3]H[3]HH)(C[3x3]C[3x3]C[4x3]H[3,3]HH)(C[3x3]C[3x3]H[3,3]H[3]HH)(C[3,3]C[4x3]H[3,3]HH)(CN)	C[3x3](C[3x3]C[4x3]H[3,3]N[3x3]HH)(N[3x3]C[3,3]C[3x3]C[4x3]C)(H[3,3]C[3x3]H[3])(H[3]H[3,3])(H)2{1|H<2>,1|H<3>,4|H<1>}	H[3,3](C[3x3]C[3x3]C[4x3]N[3x3]HH)(C[3x3]C[3x3]N[3x3]H[3]HH)(H[3]C[3x3])	N[3x3](C[4x3]C[3,3]C[3x3]H[3,3]H[3]HH)(C[3x3]C[3x3]C[4x3]H[3,3]HH)(C[3x3]C[3x3]H[3,3]H[3]HH)(C[3,3]C[4x3]H[3,3]HH)(CN)	87.2859	0.000	1	87.2859	0.000	1	87.2859	0.000	1	87.2859	0.000	1	98.4984	251.443	2	98.4984	251.443	2
362	398	782	0:SPD6_SP-NON_SPD5	C[3x3]	H[3,3]	N[3x3]	7:5:6:3:1:1:	6:6:2:	7:6:6:5:2:	C[4x3]-7:N[3x3]-5:C[3x3]-6:H[3,3]-3:H-1:H-1:	C[3x3]-6:C[3x3]-6:H[3]-2:	C[4x3]-7:C[3x3]-6:C[3x3]-6:C[3,3]-5:C-2:	C[3x3](C[4x3]C[3,3]H[3,3]N[3x3]H[3]HH)(N[3x3]C[3,3]C[3x3]C[4x3]C)(C[3x3]H[3,3]N[3x3]H[3]HH)(H[3,3]C[3x3]H[3])(H)2	H[3,3](C[3x3]C[3x3]C[4x3]N[3x3]HH)(C[3x3]C[3x3]N[3x3]H[3]HH)(H[3]C[3x3])	N[3x3](C[4x3]C[3,3]C[3x3]H[3,3]H[3]HH)(C[3x3]C[3x3]C[4x3]H[3,3]HH)(C[3x3]C[3x3]H[3,3]H[3]HH)(C[3,3]C[4x3]H[3,3]HH)(CN)	C[3x3](C[4x3]C[3,3]H[3,3]N[3x3]H[3]HH)(N[3x3]C[3,3]C[3x3]C[4x3]C)(C[3x3]H[3,3]N[3x3]H[3]HH)(H[3,3]C[3x3]H[3])(H)2{2|H<1>}	H[3,3](C[3x3]C[3x3]C[4x3]N[3x3]HH)(C[3x3]C[3x3]N[3x3]H[3]HH)(H[3]C[3x3])	N[3x3](C[4x3]C[3,3]C[3x3]H[3,3]H[3]HH)(C[3x3]C[3x3]C[4x3]H[3,3]HH)(C[3x3]C[3x3]H[3,3]H[3]HH)(C[3,3]C[4x3]H[3,3]HH)(CN)	109.7110	0.000	1	109.7110	0.000	1	109.7110	0.000	1	109.7110	0.000	1	98.4984	251.443	2	98.4984	251.443	2
362	398	802	0:SPD6_SP-NON_SP-NON	C[3,6x4]	H[3,3x4]	H[3x4]	7:3:2:2:2:1:	6:5:2:	6:5:	C[3x3,3x4]-7:H[3,3x4]-3:H[3]-2:H[3x4]-2:H[3x4]-2:H-1:	C[3,6x4]-6:C[6x4]-5:H[3]-2:	C[3,6x4]-6:C[6x4]-5:	C[3,6x4](C[3x3,3x4]C[3x3]2C[4x3]2C[6x4]C[6a])(H[3,3x4]C[6x4]H[3])(H[3]H[3,3x4])(H[3x4]C[6x4])2(H)	H[3,3x4](C[3,6x4]C[3x3,3x4]H[3x4]2H[3]H)(C[6x4]C[3x3,3x4]H[3x4]2H)(H[3]C[3,6x4])	H[3x4](C[3,6x4]C[3x3,3x4]H[3,3x4]H[3x4]H[3]H)(C[6x4]C[3x3,3x4]H[3,3x4]H[3x4]H)	C[3,6x4](C[3x3,3x4]C[3x3]2C[4x3]2C[6x4]C[6a])(H[3,3x4]C[6x4]H[3])(H[3]H[3,3x4])(H[3x4]C[6x4])2(H){2|C<3>,4|H<2>,9|H<1>}	H[3,3x4](C[3,6x4]C[3x3,3x4]H[3x4]2H[3]H)(C[6x4]C[3x3,3x4]H[3x4]2H)(H[3]C[3,6x4])	H[3x4](C[3,6x4]C[3x3,3x4]H[3,3x4]H[3x4]H[3]H)(C[6x4]C[3x3,3x4]H[3,3x4]H[3x4]H)	92.0765	11.027	2	92.0765	121.600	2	92.0765	121.600	2	92.0765	121.600	2	92.0765	121.600	2	106.7567	707.321	3
362	398	802	0:SPD6_SP-NON_SP-NON	C[3,7x4]	H[3,3x4]	H[3x4]	3:3:3:2:2:1:	6:6:2:	6:6:	O[5x4]-3:O[5x4]-3:H[3,3x4]-3:H[3]-2:H[3x4]-2:H-1:	C[3,7x4]-6:C[7x4]-6:H[3]-2:	C[3,7x4]-6:C[7x4]-6:	C[3,7x4](O[5x4]C[4,4,6]C[7x4])2(H[3,3x4]C[7x4]H[3])(H[3]H[3,3x4])(H[3x4]C[7x4])(H)	H[3,3x4](C[3,7x4]H[3x4]O[5x4]2H[3]H)(C[7x4]H[3x4]O[5x4]2HH)(H[3]C[3,7x4])	H[3x4](C[3,7x4]H[3,3x4]O[5x4]2H[3]H)(C[7x4]H[3,3x4]O[5x4]2HH)	C[3,7x4](O[5x4]C[4,4,6]C[7x4])2(H[3,3x4]C[7x4]H[3])(H[3]H[3,3x4])(H[3x4]C[7x4])(H){2|C<3>,2|H<1>}	H[3,3x4](C[3,7x4]H[3x4]O[5x4]2H[3]H)(C[7x4]H[3x4]O[5x4]2HH)(H[3]C[3,7x4])	H[3x4](C[3,7x4]H[3,3x4]O[5x4]2H[3]H)(C[7x4]H[3,3x4]O[5x4]2HH)	136.1170	0.000	1	136.1170	0.000	1	136.1170	0.000	1	136.1170	0.000	1	136.1170	0.000	1	106.7567	707.321	3
362	398	897	0:SPD6_SP-NON_SP3	C[3,7x4]	H[3,3x4]	O[5x4]	3:3:3:2:2:1:	6:6:2:	6:6:4:	O[5x4]-3:O[5x4]-3:H[3,3x4]-3:H[3]-2:H[3x4]-2:H-1:	C[3,7x4]-6:C[7x4]-6:H[3]-2:	C[3,7x4]-6:C[7x4]-6:C[4,4,6]-4:	C[3,7x4](O[5x4]C[4,4,6]C[7x4])2(H[3,3x4]C[7x4]H[3])(H[3]H[3,3x4])(H[3x4]C[7x4])(H)	H[3,3x4](C[3,7x4]H[3x4]O[5x4]2H[3]H)(C[7x4]H[3x4]O[5x4]2HH)(H[3]C[3,7x4])	O[5x4](C[3,7x4]H[3,3x4]H[3x4]O[5x4]H[3]H)(C[7x4]H[3,3x4]H[3x4]O[5x4]HH)(C[4,4,6]O[5x4]C[6]2)	C[3,7x4](O[5x4]C[4,4,6]C[7x4])2(H[3,3x4]C[7x4]H[3])(H[3]H[3,3x4])(H[3x4]C[7x4])(H){2|C<3>,2|H<1>}	H[3,3x4](C[3,7x4]H[3x4]O[5x4]2H[3]H)(C[7x4]H[3x4]O[5x4]2HH)(H[3]C[3,7x4])	O[5x4](C[3,7x4]H[3,3x4]H[3x4]O[5x4]H[3]H)(C[7x4]H[3,3x4]H[3x4]O[5x4]HH)(C[4,4,6]O[5x4]C[6]2){1|H<1>,1|O<2>,2|C<3>}	103.9110	0.006	2	103.9110	0.000	2	103.9110	0.000	2	103.9110	0.000	2	103.9110	0.000	2	103.9110	0.000	2
362	398	920	0:SPD6_SP-NON_SP3	C[4x3,4,4,5]	H[3,4,4,5]	O[4x3,4,4]	7:5:4:3:2:1:	6:4:2:	6:5:7:4:	C[6x3,4,4]-7:C[4x3,4,4,5]-5:O[4x3,4,4]-4:H[3,4,4,5]-3:H[3]-2:H-1:	C[4x3,4,4,5]-6:C[3,4x4,5]-4:H[3]-2:	C[4x3,4,4,5]-6:C[4x3,4,4,5]-5:C[6x3,4,4]-7:C[3,4x4,5]-4:	C[4x3,4,4,5](C[6x3,4,4]C[4x3,4,4,5]C[3,4x4,5]O[4x3,4,4]H[3,3]H[3]H)(C[4x3,4,4,5]C[6x3,4,4]O[4x3,4,4]C[4,4,5]H[3,3])(O[4x3,4,4]C[4x3,4,4,5]C[3,4x4,5]C[6x3,4,4])(H[3,4,4,5]C[3,4x4,5]H[3])(H[3]H[3,4,4,5])(H)	H[3,4,4,5](C[4x3,4,4,5]C[4x3,4,4,5]C[6x3,4,4]O[4x3,4,4]H[3]H)(C[3,4x4,5]C[6x3,4,4]O[4x3,4,4]C[4,4,5])(H[3]C[4x3,4,4,5])	O[4x3,4,4](C[4x3,4,4,5]C[4x3,4,4,5]C[6x3,4,4]H[3,4,4,5]H[3]H)(C[4x3,4,4,5]C[4x3,4,4,5]C[6x3,4,4]C[4,4,5]H[3,3])(C[6x3,4,4]C[4x3,4,4,5]2C[3,4x4,5]H[3,3]H[3]H)(C[3,4x4,5]C[6x3,4,4]H[3,4,4,5]C[4,4,5])	C[4x3,4,4,5](C[6x3,4,4]C[4x3,4,4,5]C[3,4x4,5]O[4x3,4,4]H[3,3]H[3]H)(C[4x3,4,4,5]C[6x3,4,4]O[4x3,4,4]C[4,4,5]H[3,3])(O[4x3,4,4]C[4x3,4,4,5]C[3,4x4,5]C[6x3,4,4])(H[3,4,4,5]C[3,4x4,5]H[3])(H[3]H[3,4,4,5])(H){1|O<2>,2|H<1>}	H[3,4,4,5](C[4x3,4,4,5]C[4x3,4,4,5]C[6x3,4,4]O[4x3,4,4]H[3]H)(C[3,4x4,5]C[6x3,4,4]O[4x3,4,4]C[4,4,5])(H[3]C[4x3,4,4,5])	O[4x3,4,4](C[4x3,4,4,5]C[4x3,4,4,5]C[6x3,4,4]H[3,4,4,5]H[3]H)(C[4x3,4,4,5]C[4x3,4,4,5]C[6x3,4,4]C[4,4,5]H[3,3])(C[6x3,4,4]C[4x3,4,4,5]2C[3,4x4,5]H[3,3]H[3]H)(C[3,4x4,5]C[6x3,4,4]H[3,4,4,5]C[4,4,5]){1|O<2>,2|H<1>}	130.6330	0.000	1	130.6330	0.000	1	130.6330	0.000	1	130.6330	0.000	1	130.6330	0.000	1	130.6330	0.000	1
362	398	951	0:SPD6_SP-NON_SP-NON	C[3,6x4]	H[3,3x4]	H	7:3:2:2:2:1:	6:5:2:	6:	C[3x3,3x4]-7:H[3,3x4]-3:H[3]-2:H[3x4]-2:H[3x4]-2:H-1:	C[3,6x4]-6:C[6x4]-5:H[3]-2:	C[3,6x4]-6:	C[3,6x4](C[3x3,3x4]C[3x3]2C[4x3]2C[6x4]C[6a])(H[3,3x4]C[6x4]H[3])(H[3]H[3,3x4])(H[3x4]C[6x4])2(H)	H[3,3x4](C[3,6x4]C[3x3,3x4]H[3x4]2H[3]H)(C[6x4]C[3x3,3x4]H[3x4]2H)(H[3]C[3,6x4])	H(C[3,6x4]C[3x3,3x4]H[3,3x4]H[3x4]2H[3])	C[3,6x4](C[3x3,3x4]C[3x3]2C[4x3]2C[6x4]C[6a])(H[3,3x4]C[6x4]H[3])(H[3]H[3,3x4])(H[3x4]C[6x4])2(H){2|C<3>,4|H<2>,9|H<1>}	H[3,3x4](C[3,6x4]C[3x3,3x4]H[3x4]2H[3]H)(C[6x4]C[3x3,3x4]H[3x4]2H)(H[3]C[3,6x4])	H(C[3,6x4]C[3x3,3x4]H[3,3x4]H[3x4]2H[3])	142.2840	0.000	1	142.2840	0.000	1	142.2840	0.000	1	142.2840	0.000	1	142.2840	0.000	1	112.6203	215.699	10
362	398	951	0:SPD6_SP-NON_SP-NON	C[3,7x4]	H[3,3x4]	H	3:3:3:2:2:1:	6:6:2:	6:	O[5x4]-3:O[5x4]-3:H[3,3x4]-3:H[3]-2:H[3x4]-2:H-1:	C[3,7x4]-6:C[7x4]-6:H[3]-2:	C[3,7x4]-6:	C[3,7x4](O[5x4]C[4,4,6]C[7x4])2(H[3,3x4]C[7x4]H[3])(H[3]H[3,3x4])(H[3x4]C[7x4])(H)	H[3,3x4](C[3,7x4]H[3x4]O[5x4]2H[3]H)(C[7x4]H[3x4]O[5x4]2HH)(H[3]C[3,7x4])	H(C[3,7x4]H[3,3x4]H[3x4]O[5x4]2H[3])	C[3,7x4](O[5x4]C[4,4,6]C[7x4])2(H[3,3x4]C[7x4]H[3])(H[3]H[3,3x4])(H[3x4]C[7x4])(H){2|C<3>,2|H<1>}	H[3,3x4](C[3,7x4]H[3x4]O[5x4]2H[3]H)(C[7x4]H[3x4]O[5x4]2HH)(H[3]C[3,7x4])	H(C[3,7x4]H[3,3x4]H[3x4]O[5x4]2H[3])	84.3334	0.000	1	84.3334	0.000	1	84.3334	0.000	1	84.3334	0.000	1	84.3334	0.000	1	112.6203	215.699	10
362	398	951	0:SPD6_SP-NON_SP-NON	C[3,8x4,8x5,6,6]	H[3,3,4,4,5,5]	H	6:6:3:3:3:1:	6:6:3:	6:	C[3,8x4,8x5,6,6]-6:C[3,3,5x4,14x5,6]-6:H[3,3,4,4,5,5]-3:H[3,3,4,4,5,5]-3:S[3x4,5,5,3x6]-3:H-1:	C[3,8x4,8x5,6,6]-6:C[3,3,5x4,14x5,6]-6:H[3,3,4,4,5,5]-3:	C[3,8x4,8x5,6,6]-6:	C[3,8x4,8x5,6,6](C[3,8x4,8x5,6,6]C[3,3,5x4,14x5,6]H[3,3,4,4,5,5]2S[3x4,5,5,3x6]H)(C[3,3,5x4,14x5,6]H[3,3,4,4,5,5]2S[3x4,5,5,3x6]H[3,3,7x5]2)(H[3,3,4,4,5,5]C[3,3,5x4,14x5,6]H[3,3,4,4,5,5])2(S[3x4,5,5,3x6]C[3,3,5x4,14x5,6]C[5,3x6])(H)	H[3,3,4,4,5,5](C[3,8x4,8x5,6,6]C[3,3,5x4,14x5,6]C[3,8x4,8x5,6,6]H[3,3,4,4,5,5]S[3x4,5,5,3x6]H)(C[3,3,5x4,14x5,6]C[3,8x4,8x5,6,6]H[3,3,4,4,5,5]S[3x4,5,5,3x6]H[3,3,7x5]2)(H[3,3,4,4,5,5]C[3,3,5x4,14x5,6]C[3,8x4,8x5,6,6])	H(C[3,8x4,8x5,6,6]C[3,3,5x4,14x5,6]C[3,8x4,8x5,6,6]H[3,3,4,4,5,5]2S[3x4,5,5,3x6])	C[3,8x4,8x5,6,6](C[3,8x4,8x5,6,6]C[3,3,5x4,14x5,6]H[3,3,4,4,5,5]2S[3x4,5,5,3x6]H)(C[3,3,5x4,14x5,6]H[3,3,4,4,5,5]2S[3x4,5,5,3x6]H[3,3,7x5]2)(H[3,3,4,4,5,5]C[3,3,5x4,14x5,6]H[3,3,4,4,5,5])2(S[3x4,5,5,3x6]C[3,3,5x4,14x5,6]C[5,3x6])(H){1|C<3>,1|S<2>}	H[3,3,4,4,5,5](C[3,8x4,8x5,6,6]C[3,3,5x4,14x5,6]C[3,8x4,8x5,6,6]H[3,3,4,4,5,5]S[3x4,5,5,3x6]H)(C[3,3,5x4,14x5,6]C[3,8x4,8x5,6,6]H[3,3,4,4,5,5]S[3x4,5,5,3x6]H[3,3,7x5]2)(H[3,3,4,4,5,5]C[3,3,5x4,14x5,6]C[3,8x4,8x5,6,6])	H(C[3,8x4,8x5,6,6]C[3,3,5x4,14x5,6]C[3,8x4,8x5,6,6]H[3,3,4,4,5,5]2S[3x4,5,5,3x6])	113.9835	8.371	2	113.9835	70.081	2	113.9835	70.081	2	113.9835	70.081	2	113.9835	70.081	2	112.6203	215.699	10
362	398	951	0:SPD6_SP-NON_SP-NON	C[3x3,4,6]	H[3,3]	H	7:7:6:3:2:1:	7:6:2:	6:	C[6x3]-7:C[4x3,4,6]-7:C[3,3,4,4,6]-6:H[3,3]-3:H[4]-2:H-1:	C[4x3,4,6]-7:C[3x3,4,6]-6:H[3]-2:	C[3x3,4,6]-6:	C[3x3,4,6](C[6x3]C[3,3,4,4,6]2C[3x3,4,6]C[4x3,4,6]2C[6])(C[4x3,4,6]C[4x3,4,6]C[6x3]H[3,3]H[3]H[4]H)(C[3,3,4,4,6]C[3,3,4,4,6]C[6x3]H[4]2H)(H[3,3]C[4x3,4,6]H[3])(H[4]H[4])(H)	H[3,3](C[4x3,4,6]C[3x3,4,6]C[4x3,4,6]C[6x3]H[3]H[4]H)(C[3x3,4,6]C[3,3,4,4,6]C[4x3,4,6]C[6x3]H[4]H)(H[3]C[4x3,4,6])	H(C[3x3,4,6]C[3,3,4,4,6]C[4x3,4,6]C[6x3]H[3,3]H[4])	C[3x3,4,6](C[6x3]C[3,3,4,4,6]2C[3x3,4,6]C[4x3,4,6]2C[6])(C[4x3,4,6]C[4x3,4,6]C[6x3]H[3,3]H[3]H[4]H)(C[3,3,4,4,6]C[3,3,4,4,6]C[6x3]H[4]2H)(H[3,3]C[4x3,4,6]H[3])(H[4]H[4])(H){1|H<3>,2|C<3>,3|H<1>,5|H<2>}	H[3,3](C[4x3,4,6]C[3x3,4,6]C[4x3,4,6]C[6x3]H[3]H[4]H)(C[3x3,4,6]C[3,3,4,4,6]C[4x3,4,6]C[6x3]H[4]H)(H[3]C[4x3,4,6])	H(C[3x3,4,6]C[3,3,4,4,6]C[4x3,4,6]C[6x3]H[3,3]H[4])	109.5510	0.000	1	109.5510	0.000	1	109.5510	0.000	1	109.5510	0.000	1	109.5510	0.000	1	112.6203	215.699	10
362	398	951	0:SPD6_SP-NON_SP-NON	C[3x3]	H[3,3]	H	6:5:3:2:1:1:	6:6:2:	6:	C[3x3]-6:N[3x3]-5:H[3,3]-3:H[3]-2:H-1:H-1:	C[3x3]-6:C[3x3]-6:H[3]-2:	C[3x3]-6:	C[3x3](C[3x3]C[4x3]H[3,3]N[3x3]HH)(N[3x3]C[3,3]C[3x3]C[4x3]C)(H[3,3]C[3x3]H[3])(H[3]H[3,3])(H)2	H[3,3](C[3x3]C[3x3]C[4x3]N[3x3]HH)(C[3x3]C[3x3]N[3x3]H[3]HH)(H[3]C[3x3])	H(C[3x3]C[3x3]H[3,3]N[3x3]H[3]H)	C[3x3](C[3x3]C[4x3]H[3,3]N[3x3]HH)(N[3x3]C[3,3]C[3x3]C[4x3]C)(H[3,3]C[3x3]H[3])(H[3]H[3,3])(H)2{1|H<2>,1|H<3>,4|H<1>}	H[3,3](C[3x3]C[3x3]C[4x3]N[3x3]HH)(C[3x3]C[3x3]N[3x3]H[3]HH)(H[3]C[3x3])	H(C[3x3]C[3x3]H[3,3]N[3x3]H[3]H)	119.0380	4.162	2	119.0380	17.322	2	119.0380	17.322	2	119.0380	17.322	2	114.2855	35.898	4	112.6203	215.699	10
362	398	951	0:SPD6_SP-NON_SP-NON	C[3x3]	H[3,3]	H	7:5:6:3:1:1:	6:6:2:	6:	C[4x3]-7:N[3x3]-5:C[3x3]-6:H[3,3]-3:H-1:H-1:	C[3x3]-6:C[3x3]-6:H[3]-2:	C[3x3]-6:	C[3x3](C[4x3]C[3,3]H[3,3]N[3x3]H[3]HH)(N[3x3]C[3,3]C[3x3]C[4x3]C)(C[3x3]H[3,3]N[3x3]H[3]HH)(H[3,3]C[3x3]H[3])(H)2	H[3,3](C[3x3]C[3x3]C[4x3]N[3x3]HH)(C[3x3]C[3x3]N[3x3]H[3]HH)(H[3]C[3x3])	H(C[3x3]C[3x3]C[4x3]H[3,3]N[3x3]H)	C[3x3](C[4x3]C[3,3]H[3,3]N[3x3]H[3]HH)(N[3x3]C[3,3]C[3x3]C[4x3]C)(C[3x3]H[3,3]N[3x3]H[3]HH)(H[3,3]C[3x3]H[3])(H)2{2|H<1>}	H[3,3](C[3x3]C[3x3]C[4x3]N[3x3]HH)(C[3x3]C[3x3]N[3x3]H[3]HH)(H[3]C[3x3])	H(C[3x3]C[3x3]C[4x3]H[3,3]N[3x3]H)	109.5330	0.158	2	109.5330	0.025	2	109.5330	0.025	2	109.5330	0.025	2	114.2855	35.898	4	112.6203	215.699	10
362	398	951	0:SPD6_SP-NON_SP-NON	C[4x3,4,4,5]	H[3,4,4,5]	H	7:5:4:3:2:1:	6:4:2:	6:	C[6x3,4,4]-7:C[4x3,4,4,5]-5:O[4x3,4,4]-4:H[3,4,4,5]-3:H[3]-2:H-1:	C[4x3,4,4,5]-6:C[3,4x4,5]-4:H[3]-2:	C[4x3,4,4,5]-6:	C[4x3,4,4,5](C[6x3,4,4]C[4x3,4,4,5]C[3,4x4,5]O[4x3,4,4]H[3,3]H[3]H)(C[4x3,4,4,5]C[6x3,4,4]O[4x3,4,4]C[4,4,5]H[3,3])(O[4x3,4,4]C[4x3,4,4,5]C[3,4x4,5]C[6x3,4,4])(H[3,4,4,5]C[3,4x4,5]H[3])(H[3]H[3,4,4,5])(H)	H[3,4,4,5](C[4x3,4,4,5]C[4x3,4,4,5]C[6x3,4,4]O[4x3,4,4]H[3]H)(C[3,4x4,5]C[6x3,4,4]O[4x3,4,4]C[4,4,5])(H[3]C[4x3,4,4,5])	H(C[4x3,4,4,5]C[4x3,4,4,5]C[6x3,4,4]H[3,4,4,5]O[4x3,4,4]H[3])	C[4x3,4,4,5](C[6x3,4,4]C[4x3,4,4,5]C[3,4x4,5]O[4x3,4,4]H[3,3]H[3]H)(C[4x3,4,4,5]C[6x3,4,4]O[4x3,4,4]C[4,4,5]H[3,3])(O[4x3,4,4]C[4x3,4,4,5]C[3,4x4,5]C[6x3,4,4])(H[3,4,4,5]C[3,4x4,5]H[3])(H[3]H[3,4,4,5])(H){1|O<2>,2|H<1>}	H[3,4,4,5](C[4x3,4,4,5]C[4x3,4,4,5]C[6x3,4,4]O[4x3,4,4]H[3]H)(C[3,4x4,5]C[6x3,4,4]O[4x3,4,4]C[4,4,5])(H[3]C[4x3,4,4,5])	H(C[4x3,4,4,5]C[4x3,4,4,5]C[6x3,4,4]H[3,4,4,5]O[4x3,4,4]H[3])	104.9260	0.000	1	104.9260	0.000	1	104.9260	0.000	1	104.9260	0.000	1	104.9260	0.000	1	112.6203	215.699	10
362	398	968	0:SPD6_SP-NON_SP-NON	C[3,6x4]	H[3,3x4]	H[3]	7:3:2:2:2:1:	6:5:2:	6:3:	C[3x3,3x4]-7:H[3,3x4]-3:H[3]-2:H[3x4]-2:H[3x4]-2:H-1:	C[3,6x4]-6:C[6x4]-5:H[3]-2:	C[3,6x4]-6:H[3,3x4]-3:	C[3,6x4](C[3x3,3x4]C[3x3]2C[4x3]2C[6x4]C[6a])(H[3,3x4]C[6x4]H[3])(H[3]H[3,3x4])(H[3x4]C[6x4])2(H)	H[3,3x4](C[3,6x4]C[3x3,3x4]H[3x4]2H[3]H)(C[6x4]C[3x3,3x4]H[3x4]2H)(H[3]C[3,6x4])	H[3](C[3,6x4]C[3x3,3x4]H[3,3x4]H[3x4]2H)(H[3,3x4]C[3,6x4]C[6x4])	C[3,6x4](C[3x3,3x4]C[3x3]2C[4x3]2C[6x4]C[6a])(H[3,3x4]C[6x4]H[3])(H[3]H[3,3x4])(H[3x4]C[6x4])2(H){2|C<3>,4|H<2>,9|H<1>}	H[3,3x4](C[3,6x4]C[3x3,3x4]H[3x4]2H[3]H)(C[6x4]C[3x3,3x4]H[3x4]2H)(H[3]C[3,6x4])	H[3](C[3,6x4]C[3x3,3x4]H[3,3x4]H[3x4]2H)(H[3,3x4]C[3,6x4]C[6x4])	34.4990	0.000	1	34.4990	0.000	1	34.4990	0.000	1	34.4990	0.000	1	34.4990	0.000	1	31.0028	39.132	4
362	398	968	0:SPD6_SP-NON_SP-NON	C[3,7x4]	H[3,3x4]	H[3]	3:3:3:2:2:1:	6:6:2:	6:3:	O[5x4]-3:O[5x4]-3:H[3,3x4]-3:H[3]-2:H[3x4]-2:H-1:	C[3,7x4]-6:C[7x4]-6:H[3]-2:	C[3,7x4]-6:H[3,3x4]-3:	C[3,7x4](O[5x4]C[4,4,6]C[7x4])2(H[3,3x4]C[7x4]H[3])(H[3]H[3,3x4])(H[3x4]C[7x4])(H)	H[3,3x4](C[3,7x4]H[3x4]O[5x4]2H[3]H)(C[7x4]H[3x4]O[5x4]2HH)(H[3]C[3,7x4])	H[3](C[3,7x4]H[3,3x4]H[3x4]O[5x4]2H)(H[3,3x4]C[3,7x4]C[7x4])	C[3,7x4](O[5x4]C[4,4,6]C[7x4])2(H[3,3x4]C[7x4]H[3])(H[3]H[3,3x4])(H[3x4]C[7x4])(H){2|C<3>,2|H<1>}	H[3,3x4](C[3,7x4]H[3x4]O[5x4]2H[3]H)(C[7x4]H[3x4]O[5x4]2HH)(H[3]C[3,7x4])	H[3](C[3,7x4]H[3,3x4]H[3x4]O[5x4]2H)(H[3,3x4]C[3,7x4]C[7x4])	30.6076	0.000	1	30.6076	0.000	1	30.6076	0.000	1	30.6076	0.000	1	30.6076	0.000	1	31.0028	39.132	4
362	398	968	0:SPD6_SP-NON_SP-NON	C[3x3]	H[3,3]	H[3]	6:5:3:2:1:1:	6:6:2:	6:3:	C[3x3]-6:N[3x3]-5:H[3,3]-3:H[3]-2:H-1:H-1:	C[3x3]-6:C[3x3]-6:H[3]-2:	C[3x3]-6:H[3,3]-3:	C[3x3](C[3x3]C[4x3]H[3,3]N[3x3]HH)(N[3x3]C[3,3]C[3x3]C[4x3]C)(H[3,3]C[3x3]H[3])(H[3]H[3,3])(H)2	H[3,3](C[3x3]C[3x3]C[4x3]N[3x3]HH)(C[3x3]C[3x3]N[3x3]H[3]HH)(H[3]C[3x3])	H[3](C[3x3]C[3x3]H[3,3]N[3x3]HH)(H[3,3]C[3x3]2)	C[3x3](C[3x3]C[4x3]H[3,3]N[3x3]HH)(N[3x3]C[3,3]C[3x3]C[4x3]C)(H[3,3]C[3x3]H[3])(H[3]H[3,3])(H)2{1|H<2>,1|H<3>,4|H<1>}	H[3,3](C[3x3]C[3x3]C[4x3]N[3x3]HH)(C[3x3]C[3x3]N[3x3]H[3]HH)(H[3]C[3x3])	H[3](C[3x3]C[3x3]H[3,3]N[3x3]HH)(H[3,3]C[3x3]2)	22.3739	0.000	1	22.3739	0.000	1	22.3739	0.000	1	22.3739	0.000	1	22.3739	0.000	1	31.0028	39.132	4
362	398	968	0:SPD6_SP-NON_SP-NON	C[4x3,4,4,5]	H[3,4,4,5]	H[3]	7:5:4:3:2:1:	6:4:2:	6:3:	C[6x3,4,4]-7:C[4x3,4,4,5]-5:O[4x3,4,4]-4:H[3,4,4,5]-3:H[3]-2:H-1:	C[4x3,4,4,5]-6:C[3,4x4,5]-4:H[3]-2:	C[4x3,4,4,5]-6:H[3,4,4,5]-3:	C[4x3,4,4,5](C[6x3,4,4]C[4x3,4,4,5]C[3,4x4,5]O[4x3,4,4]H[3,3]H[3]H)(C[4x3,4,4,5]C[6x3,4,4]O[4x3,4,4]C[4,4,5]H[3,3])(O[4x3,4,4]C[4x3,4,4,5]C[3,4x4,5]C[6x3,4,4])(H[3,4,4,5]C[3,4x4,5]H[3])(H[3]H[3,4,4,5])(H)	H[3,4,4,5](C[4x3,4,4,5]C[4x3,4,4,5]C[6x3,4,4]O[4x3,4,4]H[3]H)(C[3,4x4,5]C[6x3,4,4]O[4x3,4,4]C[4,4,5])(H[3]C[4x3,4,4,5])	H[3](C[4x3,4,4,5]C[4x3,4,4,5]C[6x3,4,4]H[3,4,4,5]O[4x3,4,4]H)(H[3,4,4,5]C[4x3,4,4,5]C[3,4x4,5])	C[4x3,4,4,5](C[6x3,4,4]C[4x3,4,4,5]C[3,4x4,5]O[4x3,4,4]H[3,3]H[3]H)(C[4x3,4,4,5]C[6x3,4,4]O[4x3,4,4]C[4,4,5]H[3,3])(O[4x3,4,4]C[4x3,4,4,5]C[3,4x4,5]C[6x3,4,4])(H[3,4,4,5]C[3,4x4,5]H[3])(H[3]H[3,4,4,5])(H){1|O<2>,2|H<1>}	H[3,4,4,5](C[4x3,4,4,5]C[4x3,4,4,5]C[6x3,4,4]O[4x3,4,4]H[3]H)(C[3,4x4,5]C[6x3,4,4]O[4x3,4,4]C[4,4,5])(H[3]C[4x3,4,4,5])	H[3](C[4x3,4,4,5]C[4x3,4,4,5]C[6x3,4,4]H[3,4,4,5]O[4x3,4,4]H)(H[3,4,4,5]C[4x3,4,4,5]C[3,4x4,5])	36.5308	0.000	1	36.5308	0.000	1	36.5308	0.000	1	36.5308	0.000	1	36.5308	0.000	1	31.0028	39.132	4
362	442	442	3:SPD6_SPD5_SPD5	C[5x3,5x5,20x6]	B[5x3,5x5,20x6]	B[5x3,5x5,20x6]	5:5:5:5:5:3:	5:5:5:6:5:	5:5:5:6:6:	B[5x3,5x5,20x6]-5:B[5x3,5x5,20x6]-5:B[5x3,5x5,20x6]-5:B[5x3,5x5,20x6]-5:B[5x3,5x5,20x6]-5:C[6a]-3:	B[5x3,5x5,20x6]-5:B[5x3,5x5,20x6]-5:B[5x3,5x5,20x6]-5:C[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-5:	B[5x3,5x5,20x6]-5:B[5x3,5x5,20x6]-5:B[5x3,5x5,20x6]-5:C[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6])2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4)3(C[6a]C[6a]2)	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]2C[5x3,5x5,20x6]2)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6])2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[6a])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4)	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]2C[5x3,5x5,20x6]2)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6])2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[6a])2	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6])2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4)3(C[6a]C[6a]2){1|B<5>,2|H<1>,3|C<3>}	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]2C[5x3,5x5,20x6]2)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6])2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[6a])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4){1|B<5>,3|C<3>}	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]2C[5x3,5x5,20x6]2)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6])2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[6a])2{1|B<5>,4|C<3>}	61.8085	0.200	4	61.8085	0.040	4	61.8085	0.040	4	61.8085	0.040	4	62.0867	0.155	10	62.0867	0.155	10
362	442	442	3:SPD6_SPD5_SPD5	C[5x3,5x5,20x6]	B[5x3,5x5,20x6]	B[5x3,5x5,20x6]	5:5:5:5:5:3:	5:5:5:6:5:	5:5:6:5:5:	B[5x3,5x5,20x6]-5:B[5x3,5x5,20x6]-5:B[5x3,5x5,20x6]-5:B[5x3,5x5,20x6]-5:B[5x3,5x5,20x6]-5:C[6a]-3:	B[5x3,5x5,20x6]-5:B[5x3,5x5,20x6]-5:B[5x3,5x5,20x6]-5:C[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-5:	B[5x3,5x5,20x6]-5:B[5x3,5x5,20x6]-5:C[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-5:B[5x3,5x5,20x6]-5:	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6])2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4)3(C[6a]C[6a]2)	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]2C[5x3,5x5,20x6]2)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6])2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[6a])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4)	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6])2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[6a])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4)2	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6])2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4)3(C[6a]C[6a]2){1|B<5>,2|H<1>,3|C<3>}	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]2C[5x3,5x5,20x6]2)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6])2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[6a])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4){1|B<5>,3|C<3>}	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6])2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[6a])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4)2{1|C<6>,2|C<3>}	62.0652	0.286	4	62.0652	0.082	4	62.0652	0.082	4	62.0652	0.082	4	62.0867	0.155	10	62.0867	0.155	10
362	442	442	3:SPD6_SPD5_SPD5	C[5x3,5x5,20x6]	B[5x3,5x5,20x6]	B[5x3,5x5,20x6]	5:5:5:5:5:3:	5:5:5:6:6:	5:5:5:6:6:	B[5x3,5x5,20x6]-5:B[5x3,5x5,20x6]-5:B[5x3,5x5,20x6]-5:B[5x3,5x5,20x6]-5:B[5x3,5x5,20x6]-5:C[6a]-3:	B[5x3,5x5,20x6]-5:B[5x3,5x5,20x6]-5:B[5x3,5x5,20x6]-5:C[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:	B[5x3,5x5,20x6]-5:B[5x3,5x5,20x6]-5:B[5x3,5x5,20x6]-5:C[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6])2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4)3(C[6a]C[6a]2)	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]2C[5x3,5x5,20x6]2)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6])2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[6a])2	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]2C[5x3,5x5,20x6]2)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6])2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[6a])2	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6])2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4)3(C[6a]C[6a]2){1|B<5>,2|H<1>,3|C<3>}	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]2C[5x3,5x5,20x6]2)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6])2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[6a])2{1|B<5>,4|C<3>}	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]2C[5x3,5x5,20x6]2)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6])2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[6a])2{1|B<5>,4|C<3>}	62.6859	0.043	2	62.6859	0.002	2	62.6859	0.002	2	62.6859	0.002	2	62.0867	0.155	10	62.0867	0.155	10
362	442	442	5:SPD6_SPD5_SPD5	C[5x3,5x5,20x6]	B[5x3,5x5,20x6]	B[5x3,5x5,20x6]	5:5:5:5:5:3:	5:5:5:6:6:	5:5:6:5:5:	B[5x3,5x5,20x6]-5:B[5x3,5x5,20x6]-5:B[5x3,5x5,20x6]-5:B[5x3,5x5,20x6]-5:B[5x3,5x5,20x6]-5:C[6a]-3:	B[5x3,5x5,20x6]-5:B[5x3,5x5,20x6]-5:B[5x3,5x5,20x6]-5:C[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:	B[5x3,5x5,20x6]-5:B[5x3,5x5,20x6]-5:C[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-5:B[5x3,5x5,20x6]-5:	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6])2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4)3(C[6a]C[6a]2)	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]2C[5x3,5x5,20x6]2)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6])2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[6a])2	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6])2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[6a])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4)2	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6])2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4)3(C[6a]C[6a]2){1|B<5>,2|H<1>,3|C<3>}	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]2C[5x3,5x5,20x6]2)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6])2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[6a])2{1|B<5>,4|C<3>}	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6])2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[6a])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4)2{1|C<6>,2|C<3>}	112.7800	0.642	2	112.7800	0.412	2	112.7800	0.412	2	112.7800	0.412	2	112.7800	0.412	2	112.7800	0.412	2
362	442	442	6:SPD6_SPD5_SPD5	C[5x3,5x5,20x6]	B[5x3,5x5,20x6]	B[5x3,5x5,20x6]	5:5:5:5:5:3:	5:5:5:6:5:	5:5:5:6:5:	B[5x3,5x5,20x6]-5:B[5x3,5x5,20x6]-5:B[5x3,5x5,20x6]-5:B[5x3,5x5,20x6]-5:B[5x3,5x5,20x6]-5:C[6a]-3:	B[5x3,5x5,20x6]-5:B[5x3,5x5,20x6]-5:B[5x3,5x5,20x6]-5:C[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-5:	B[5x3,5x5,20x6]-5:B[5x3,5x5,20x6]-5:B[5x3,5x5,20x6]-5:C[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-5:	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6])2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4)3(C[6a]C[6a]2)	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]2C[5x3,5x5,20x6]2)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6])2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[6a])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4)	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]2C[5x3,5x5,20x6]2)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6])2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[6a])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6])2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4)3(C[6a]C[6a]2){1|B<5>,2|H<1>,3|C<3>}	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]2C[5x3,5x5,20x6]2)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6])2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[6a])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4){1|B<5>,3|C<3>}	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]2C[5x3,5x5,20x6]2)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6])2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[6a])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4){1|B<5>,3|C<3>}	113.4855	0.415	2	113.4855	0.172	2	113.4855	0.172	2	113.4855	0.172	2	113.1850	0.294	8	113.1850	0.294	8
362	442	442	6:SPD6_SPD5_SPD5	C[5x3,5x5,20x6]	B[5x3,5x5,20x6]	B[5x3,5x5,20x6]	5:5:5:5:5:3:	5:5:5:6:5:	5:5:5:6:6:	B[5x3,5x5,20x6]-5:B[5x3,5x5,20x6]-5:B[5x3,5x5,20x6]-5:B[5x3,5x5,20x6]-5:B[5x3,5x5,20x6]-5:C[6a]-3:	B[5x3,5x5,20x6]-5:B[5x3,5x5,20x6]-5:B[5x3,5x5,20x6]-5:C[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-5:	B[5x3,5x5,20x6]-5:B[5x3,5x5,20x6]-5:B[5x3,5x5,20x6]-5:C[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6])2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4)3(C[6a]C[6a]2)	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]2C[5x3,5x5,20x6]2)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6])2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[6a])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4)	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]2C[5x3,5x5,20x6]2)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6])2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[6a])2	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6])2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4)3(C[6a]C[6a]2){1|B<5>,2|H<1>,3|C<3>}	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]2C[5x3,5x5,20x6]2)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6])2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[6a])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4){1|B<5>,3|C<3>}	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]2C[5x3,5x5,20x6]2)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6])2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[6a])2{1|B<5>,4|C<3>}	113.4210	0.261	4	113.4210	0.068	4	113.4210	0.068	4	113.4210	0.068	4	113.1850	0.294	8	113.1850	0.294	8
362	442	442	6:SPD6_SPD5_SPD5	C[5x3,5x5,20x6]	B[5x3,5x5,20x6]	B[5x3,5x5,20x6]	5:5:5:5:5:3:	5:5:5:6:6:	5:5:6:5:5:	B[5x3,5x5,20x6]-5:B[5x3,5x5,20x6]-5:B[5x3,5x5,20x6]-5:B[5x3,5x5,20x6]-5:B[5x3,5x5,20x6]-5:C[6a]-3:	B[5x3,5x5,20x6]-5:B[5x3,5x5,20x6]-5:B[5x3,5x5,20x6]-5:C[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:	B[5x3,5x5,20x6]-5:B[5x3,5x5,20x6]-5:C[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-5:B[5x3,5x5,20x6]-5:	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6])2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4)3(C[6a]C[6a]2)	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]2C[5x3,5x5,20x6]2)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6])2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[6a])2	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6])2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[6a])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4)2	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6])2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4)3(C[6a]C[6a]2){1|B<5>,2|H<1>,3|C<3>}	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]2C[5x3,5x5,20x6]2)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6])2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[6a])2{1|B<5>,4|C<3>}	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6])2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[6a])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4)2{1|C<6>,2|C<3>}	112.4125	0.295	2	112.4125	0.087	2	112.4125	0.087	2	112.4125	0.087	2	113.1850	0.294	8	113.1850	0.294	8
362	442	643	0:SPD6_SP2_SPD5	C[5x3,5x5,20x6]	B[5x3,5x5,20x6]	C[6a]	5:5:5:5:5:3:	5:5:5:6:5:	6:3:3:	B[5x3,5x5,20x6]-5:B[5x3,5x5,20x6]-5:B[5x3,5x5,20x6]-5:B[5x3,5x5,20x6]-5:B[5x3,5x5,20x6]-5:C[6a]-3:	B[5x3,5x5,20x6]-5:B[5x3,5x5,20x6]-5:B[5x3,5x5,20x6]-5:C[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-5:	C[5x3,5x5,20x6]-6:C[6a]-3:C[6a]-3:	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6])2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4)3(C[6a]C[6a]2)	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]2C[5x3,5x5,20x6]2)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6])2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[6a])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4)	C[6a](C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(C[6a]C[6a]H)2	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6])2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4)3(C[6a]C[6a]2){1|B<5>,2|H<1>,3|C<3>}	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]2C[5x3,5x5,20x6]2)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6])2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[6a])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4){1|B<5>,3|C<3>}	C[6a](C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(C[6a]C[6a]H)2{1|C<3>,1|C<6>,2|H<1>,4|B<5>}	118.7812	1.144	4	118.7812	1.308	4	118.7812	1.308	4	118.7812	1.308	4	118.6749	1.553	10	118.6749	1.553	10
362	442	643	0:SPD6_SP2_SPD5	C[5x3,5x5,20x6]	B[5x3,5x5,20x6]	C[6a]	5:5:5:5:5:3:	5:5:5:6:6:	6:3:3:	B[5x3,5x5,20x6]-5:B[5x3,5x5,20x6]-5:B[5x3,5x5,20x6]-5:B[5x3,5x5,20x6]-5:B[5x3,5x5,20x6]-5:C[6a]-3:	B[5x3,5x5,20x6]-5:B[5x3,5x5,20x6]-5:B[5x3,5x5,20x6]-5:C[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:	C[5x3,5x5,20x6]-6:C[6a]-3:C[6a]-3:	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6])2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4)3(C[6a]C[6a]2)	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]2C[5x3,5x5,20x6]2)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6])2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[6a])2	C[6a](C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(C[6a]C[6a]H)2	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6])2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4)3(C[6a]C[6a]2){1|B<5>,2|H<1>,3|C<3>}	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]2C[5x3,5x5,20x6]2)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6])2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[6a])2{1|B<5>,4|C<3>}	C[6a](C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(C[6a]C[6a]H)2{1|C<3>,1|C<6>,2|H<1>,4|B<5>}	117.8697	0.926	4	117.8697	0.858	4	117.8697	0.858	4	117.8697	0.858	4	118.6749	1.553	10	118.6749	1.553	10
362	442	643	0:SPD6_SP2_SPD5	C[5x3,5x5,20x6]	B[5x3,5x5,20x6]	C[6a]	5:5:5:5:5:3:	5:5:6:5:5:	6:3:3:	B[5x3,5x5,20x6]-5:B[5x3,5x5,20x6]-5:B[5x3,5x5,20x6]-5:B[5x3,5x5,20x6]-5:B[5x3,5x5,20x6]-5:C[6a]-3:	B[5x3,5x5,20x6]-5:B[5x3,5x5,20x6]-5:C[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-5:B[5x3,5x5,20x6]-5:	C[5x3,5x5,20x6]-6:C[6a]-3:C[6a]-3:	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6])2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4)3(C[6a]C[6a]2)	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6])2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[6a])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4)2	C[6a](C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(C[6a]C[6a]H)2	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6])2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4)3(C[6a]C[6a]2){1|B<5>,2|H<1>,3|C<3>}	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6])2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[6a])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4)2{1|C<6>,2|C<3>}	C[6a](C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(C[6a]C[6a]H)2{1|C<3>,1|C<6>,2|H<1>,4|B<5>}	120.0725	0.967	2	120.0725	0.934	2	120.0725	0.934	2	120.0725	0.934	2	118.6749	1.553	10	118.6749	1.553	10
362	442	951	0:SPD6_SP-NON_SPD5	C[5x3,4,9x5,6,6]	B[4x3,4x5,4x6]	H	6:6:6:6:5:1:	6:6:6:6:1:	6:	B[5x3,4,9x5,6,6]-6:B[5x3,4,9x5,6,6]-6:B[5x3,4,9x5,6,6]-6:B[5x3,4,9x5,6,6]-6:B[4x3,4x5,4x6]-5:H-1:	B[5x3,4,9x5,6,6]-6:B[5x3,4,9x5,6,6]-6:B[5x3,4,9x5,6,6]-6:C[5x3,4,9x5,6,6]-6:H-1:	C[5x3,4,9x5,6,6]-6:	C[5x3,4,9x5,6,6](B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]3B[4x3,4x5,4x6]H)2(B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]3C[4x3,4x5,4x6]H)2(B[4x3,4x5,4x6]B[5x3,4,9x5,6,6]3H)(H)	B[4x3,4x5,4x6](B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]3C[5x3,4,9x5,6,6]H)2(B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]4Br)(C[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]4H)(H)	H(C[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]4B[4x3,4x5,4x6])	C[5x3,4,9x5,6,6](B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]3B[4x3,4x5,4x6]H)2(B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]3C[4x3,4x5,4x6]H)2(B[4x3,4x5,4x6]B[5x3,4,9x5,6,6]3H)(H){1|Br<1>,3|H<1>}	B[4x3,4x5,4x6](B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]3C[5x3,4,9x5,6,6]H)2(B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]4Br)(C[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]4H)(H){1|C<5>,4|H<1>}	H(C[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]4B[4x3,4x5,4x6])	114.5050	0.000	1	114.5050	0.000	1	114.5050	0.000	1	114.5050	0.000	1	113.5794	2.382	5	114.1068	3.575	6
362	442	951	0:SPD6_SP-NON_SPD5	C[5x3,4,9x5,6,6]	B[4x3,4x5,4x6]	H	6:6:6:6:5:1:	6:6:6:6:4:	6:	B[5x3,4,9x5,6,6]-6:B[5x3,4,9x5,6,6]-6:B[5x3,4,9x5,6,6]-6:B[5x3,4,9x5,6,6]-6:B[4x3,4x5,4x6]-5:H-1:	B[5x3,4,9x5,6,6]-6:B[5x3,4,9x5,6,6]-6:B[5x3,4,9x5,6,6]-6:C[5x3,4,9x5,6,6]-6:C-4:	C[5x3,4,9x5,6,6]-6:	C[5x3,4,9x5,6,6](B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]3B[4x3,4x5,4x6]C)2(B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]3C[4x3,4x5,4x6]C)2(B[4x3,4x5,4x6]B[5x3,4,9x5,6,6]3C)(H)	B[4x3,4x5,4x6](B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]3C[5x3,4,9x5,6,6]C)2(B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]4I)(C[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]4H)(CH3)	H(C[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]4B[4x3,4x5,4x6])	C[5x3,4,9x5,6,6](B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]3B[4x3,4x5,4x6]C)2(B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]3C[4x3,4x5,4x6]C)2(B[4x3,4x5,4x6]B[5x3,4,9x5,6,6]3C)(H){1|H<1>,1|I<1>,2|C<4>}	B[4x3,4x5,4x6](B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]3C[5x3,4,9x5,6,6]C)2(B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]4I)(C[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]4H)(CH3){1|C<5>,4|C<4>}	H(C[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]4B[4x3,4x5,4x6])	114.8020	0.000	2	114.8020	0.000	2	113.3480	2.819	4	113.3480	2.819	4	113.5794	2.382	5	114.1068	3.575	6
362	442	951	0:SPD6_SP-NON_SPD5	C[5x3,4,9x5,6,6]	B[4x3,4x5,4x6]	H	6:6:6:6:5:1:	6:6:6:6:4:	6:	B[5x3,4,9x5,6,6]-6:B[5x3,4,9x5,6,6]-6:B[5x3,4,9x5,6,6]-6:B[5x3,4,9x5,6,6]-6:B[4x3,4x5,4x6]-5:H-1:	B[5x3,4,9x5,6,6]-6:B[5x3,4,9x5,6,6]-6:B[5x3,4,9x5,6,6]-6:C[5x3,4,9x5,6,6]-6:C-4:	C[5x3,4,9x5,6,6]-6:	C[5x3,4,9x5,6,6](B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]3B[4x3,4x5,4x6]C)2(B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]3C[4x3,4x5,4x6]C)2(B[4x3,4x5,4x6]B[5x3,4,9x5,6,6]3C)(H)	B[4x3,4x5,4x6](B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]3C[5x3,4,9x5,6,6]C)2(B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]4O)(C[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]4H)(CH3)	H(C[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]4B[4x3,4x5,4x6])	C[5x3,4,9x5,6,6](B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]3B[4x3,4x5,4x6]C)2(B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]3C[4x3,4x5,4x6]C)2(B[4x3,4x5,4x6]B[5x3,4,9x5,6,6]3C)(H){1|H<1>,1|O<2>,2|C<4>}	B[4x3,4x5,4x6](B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]3C[5x3,4,9x5,6,6]C)2(B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]4O)(C[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]4H)(CH3){1|C<5>,4|C<4>}	H(C[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]4B[4x3,4x5,4x6])	111.8940	0.000	2	111.8940	0.000	2	113.3480	2.819	4	113.3480	2.819	4	113.5794	2.382	5	114.1068	3.575	6
362	442	951	0:SPD6_SP-NON_SPD5	C[5x3,5x5,20x6]	B[5x3,5x5,20x6]	H	6:6:6:6:5:1:	6:6:6:6:6:	6:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-5:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:	C[5x3,5x5,20x6]-6:	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]N[5])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4)(H)	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]2C[5x3,5x5,20x6]2N[5])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]N[5])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4)(H){1|B<6>,2|C<3>,5|H<1>}	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]2C[5x3,5x5,20x6]2N[5])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H){1|B<6>,2|C<3>,5|H<1>}	H(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)	116.7440	0.000	1	116.7440	0.000	1	116.7440	0.000	1	116.7440	0.000	1	116.7440	0.000	1	114.1068	3.575	6
362	466	486	0:SPD6_SP3_SP3	C[3,3]	C[6]	C[3x3]	4:3:4:2:1:1:	6:4:3:1:	6:3:3:2:	C[3x3]-4:C[3,3]-3:C[6]-4:C[3]-2:C-1:C-1:	C[3,3]-6:C[6]-4:C[6]-3:H-1:	C[3,3]-6:C[3,3]-3:C[3]-3:C[3]-2:	C[3,3](C[3x3]C[3,3]C[3]2)(C[3,3]C[3x3]C[3])(C[6]C[6]2H)(C[3]C[3x3])(C)2	C[6](C[3,3]C[3,3]C[3x3]C[3]CC)(C[6]C[6]PdC)(C[6]C[6]H)(H)	C[3x3](C[3,3]C[3,3]C[3]C[6]CC)(C[3,3]C[3,3]C[3])(C[3]C[3,3]C)(C[3]C[3,3])	C[3,3](C[3x3]C[3,3]C[3]2)(C[3,3]C[3x3]C[3])(C[6]C[6]2H)(C[3]C[3x3])(C)2{1|Pd<5>,1|C<3>,1|H<1>,3|C<4>}	C[6](C[3,3]C[3,3]C[3x3]C[3]CC)(C[6]C[6]PdC)(C[6]C[6]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[3x3](C[3,3]C[3,3]C[3]C[6]CC)(C[3,3]C[3,3]C[3])(C[3]C[3,3]C)(C[3]C[3,3]){1|C<3>,1|C<4>,1|H<1>}	115.0900	0.000	1	115.0900	0.000	1	115.0900	0.000	1	115.0900	0.000	1	115.0900	0.000	1	115.0900	0.000	1
362	466	899	0:SPD6_SP-NON_SP3	C[3,3]	C[6]	C	4:3:4:2:1:1:	6:4:3:1:	6:	C[3x3]-4:C[3,3]-3:C[6]-4:C[3]-2:C-1:C-1:	C[3,3]-6:C[6]-4:C[6]-3:H-1:	C[3,3]-6:	C[3,3](C[3x3]C[3,3]C[3]2)(C[3,3]C[3x3]C[3])(C[6]C[6]2H)(C[3]C[3x3])(C)2	C[6](C[3,3]C[3,3]C[3x3]C[3]CC)(C[6]C[6]PdC)(C[6]C[6]H)(H)	C(C[3,3]C[3,3]C[3x3]C[3]C[6]C)	C[3,3](C[3x3]C[3,3]C[3]2)(C[3,3]C[3x3]C[3])(C[6]C[6]2H)(C[3]C[3x3])(C)2{1|Pd<5>,1|C<3>,1|H<1>,3|C<4>}	C[6](C[3,3]C[3,3]C[3x3]C[3]CC)(C[6]C[6]PdC)(C[6]C[6]H)(H){1|C<3>,1|H<1>,2|C<4>}	C(C[3,3]C[3,3]C[3x3]C[3]C[6]C)	114.4535	5.947	2	114.4535	35.372	2	114.4535	35.372	2	114.4535	35.372	2	114.4535	35.372	2	114.4535	35.372	2
362	466	902	0:SPD6_SP2_SP3	C[3,3]	C[6]	C[3,3]	4:3:4:2:1:1:	6:4:3:1:	6:4:3:	C[3x3]-4:C[3,3]-3:C[6]-4:C[3]-2:C-1:C-1:	C[3,3]-6:C[6]-4:C[6]-3:H-1:	C[3,3]-6:C[3x3]-4:C[3]-3:	C[3,3](C[3x3]C[3,3]C[3]2)(C[3,3]C[3x3]C[3])(C[6]C[6]2H)(C[3]C[3x3])(C)2	C[6](C[3,3]C[3,3]C[3x3]C[3]CC)(C[6]C[6]PdC)(C[6]C[6]H)(H)	C[3,3](C[3,3]C[3x3]C[3]C[6]CC)(C[3x3]C[3,3]C[3]2)(C[3]C[3x3]C)	C[3,3](C[3x3]C[3,3]C[3]2)(C[3,3]C[3x3]C[3])(C[6]C[6]2H)(C[3]C[3x3])(C)2{1|Pd<5>,1|C<3>,1|H<1>,3|C<4>}	C[6](C[3,3]C[3,3]C[3x3]C[3]CC)(C[6]C[6]PdC)(C[6]C[6]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[3,3](C[3,3]C[3x3]C[3]C[6]CC)(C[3x3]C[3,3]C[3]2)(C[3]C[3x3]C){1|C<3>,1|C<4>,1|H<1>}	106.9940	0.000	1	106.9940	0.000	1	106.9940	0.000	1	106.9940	0.000	1	106.9940	0.000	1	106.9940	0.000	1
362	474	778	0:SPD6_SP3_SPD5	C[5x3,5x5,20x6]	C[5]	C[5x3,5x5,20x6]	6:6:6:6:5:4:	6:3:3:1:	6:6:6:6:6:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-5:C[5]-4:	C[5x3,5x5,20x6]-6:N[5]-3:C[5]-3:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4)(C[5]C[5]N[5]H)	C[5](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(N[5]C[5,6a]Si)(C[5]C[5,6a]C)(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4)(C[5]C[5]N[5]H){1|Si<4>,1|B<6>,1|C<4>,2|C<3>,5|H<1>}	C[5](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(N[5]C[5,6a]Si)(C[5]C[5,6a]C)(H){2|C<3>,4|H<1>,5|B<6>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2{1|B<6>,1|C<3>,1|N<3>,6|H<1>}	93.5915	0.000	1	93.5915	0.000	1	93.5915	0.000	1	93.5915	0.000	1	93.5915	0.000	1	93.5915	0.000	1
362	478	490	0:SPD6_SP3_SP3	C[3,3,4,4]	C[3x4]	C	4:3:3:3:2:4:	6:4:2:1:	6:3:1:1:	C[3x4]-4:C[3x4]-3:O[3,3]-3:O[3]-3:H[3]-2:C-4:	C[3,3,4,4]-6:N[4,4,6]-4:H[4,4]-2:H-1:	C[3,3,4,4]-6:N[5a]-3:H-1:H-1:	C[3,3,4,4](C[3x4]N[4,4,6]H[4,4]H)(C[3x4]N[4,4,6]H[4,4])(O[3,3]H[3]O[3])(O[3]O[3,3]H)(H[3]O[3,3])(CN[5a]HH)	C[3x4](C[3,3,4,4]C[3x4]O[3,3]H[3]O[3]C)(N[4,4,6]C[3x4]C[6]2)(H[4,4]C[3x4])(H)	C(C[3,3,4,4]C[3x4]2O[3,3]H[3]O[3])(N[5a]C[5a,6a]C[5a])(H)2	C[3,3,4,4](C[3x4]N[4,4,6]H[4,4]H)(C[3x4]N[4,4,6]H[4,4])(O[3,3]H[3]O[3])(O[3]O[3,3]H)(H[3]O[3,3])(CN[5a]HH){2|C<4>}	C[3x4](C[3,3,4,4]C[3x4]O[3,3]H[3]O[3]C)(N[4,4,6]C[3x4]C[6]2)(H[4,4]C[3x4])(H){2|C<4>,5|H<1>}	C(C[3,3,4,4]C[3x4]2O[3,3]H[3]O[3])(N[5a]C[5a,6a]C[5a])(H)2	113.2050	0.000	1	113.2050	0.000	1	113.2050	0.000	1	113.2050	0.000	1	113.2050	0.000	1	113.2050	0.000	1
362	478	802	0:SPD6_SP-NON_SP3	C[3,3x4,4x5]	C[4,5,5]	H[4,4,5]	7:6:2:2:4:1:	6:2:2:1:	6:5:	C[3x3,3x4,5,5]-7:C[3x3,4,5,5]-6:H[4,4,5]-2:H[4,4,5]-2:C[4,5,5]-4:H-1:	C[3,3x4,4x5]-6:H[4,5]-2:H[4,5]-2:H-1:	C[3,3x4,4x5]-6:C[4x4,5,5]-5:	C[3,3x4,4x5](C[3x3,3x4,5,5]C[3x3,4,5,5]C[4x4,5,5]C[4,5,5]H[3]2H)(C[3x3,4,5,5]C[3x3,3x4,5,5]S[4,5,5]H[3]2H)(H[4,4,5]C[4x4,5,5])2(C[4,5,5]H[4,5]2H)(H)	C[4,5,5](C[3,3x4,4x5]C[3x3,3x4,5,5]C[3x3,4,5,5]H[4,4,5]2H)(H[4,5]C[4,5,5])2(H)	H[4,4,5](C[3,3x4,4x5]C[3x3,3x4,5,5]C[3x3,4,5,5]C[4,5,5]H[4,4,5]H)(C[4x4,5,5]C[3x3,3x4,5,5]H[4,4,5]S[4,5,5]H)	C[3,3x4,4x5](C[3x3,3x4,5,5]C[3x3,4,5,5]C[4x4,5,5]C[4,5,5]H[3]2H)(C[3x3,4,5,5]C[3x3,3x4,5,5]S[4,5,5]H[3]2H)(H[4,4,5]C[4x4,5,5])2(C[4,5,5]H[4,5]2H)(H){1|C<4>,2|O<1>,4|H<1>}	C[4,5,5](C[3,3x4,4x5]C[3x3,3x4,5,5]C[3x3,4,5,5]H[4,4,5]2H)(H[4,5]C[4,5,5])2(H){1|C<5>,1|S<5>,2|H<1>,2|H<2>}	H[4,4,5](C[3,3x4,4x5]C[3x3,3x4,5,5]C[3x3,4,5,5]C[4,5,5]H[4,4,5]H)(C[4x4,5,5]C[3x3,3x4,5,5]H[4,4,5]S[4,5,5]H)	131.6135	31.218	2	131.6135	974.567	2	131.6135	974.567	2	131.6135	974.567	2	131.6135	974.567	2	131.6135	974.567	2
362	478	846	4:SPD6_SP2_SP3	C[3,3,4,4]	C[3x4]	C[3x4]	4:3:3:3:2:4:	6:4:2:1:	6:4:2:	C[3x4]-4:C[3x4]-3:O[3,3]-3:O[3]-3:H[3]-2:C-4:	C[3,3,4,4]-6:N[4,4,6]-4:H[4,4]-2:H-1:	C[3,3,4,4]-6:N[4,4,6]-4:H[4,4]-2:	C[3,3,4,4](C[3x4]N[4,4,6]H[4,4]H)(C[3x4]N[4,4,6]H[4,4])(O[3,3]H[3]O[3])(O[3]O[3,3]H)(H[3]O[3,3])(CN[5a]HH)	C[3x4](C[3,3,4,4]C[3x4]O[3,3]H[3]O[3]C)(N[4,4,6]C[3x4]C[6]2)(H[4,4]C[3x4])(H)	C[3x4](C[3,3,4,4]C[3x4]O[3,3]H[3]O[3]C)(N[4,4,6]C[3x4]C[6]2)(H[4,4]C[3x4])	C[3,3,4,4](C[3x4]N[4,4,6]H[4,4]H)(C[3x4]N[4,4,6]H[4,4])(O[3,3]H[3]O[3])(O[3]O[3,3]H)(H[3]O[3,3])(CN[5a]HH){2|C<4>}	C[3x4](C[3,3,4,4]C[3x4]O[3,3]H[3]O[3]C)(N[4,4,6]C[3x4]C[6]2)(H[4,4]C[3x4])(H){2|C<4>,5|H<1>}	C[3x4](C[3,3,4,4]C[3x4]O[3,3]H[3]O[3]C)(N[4,4,6]C[3x4]C[6]2)(H[4,4]C[3x4]){2|C<4>,6|H<1>}	32.7446	0.000	1	32.7446	0.000	1	32.7446	0.000	1	32.7446	0.000	1	32.7446	0.000	1	32.7446	0.000	1
362	478	951	0:SPD6_SP-NON_SP3	C[3,3x4,4x5]	C[4,5,5]	H	7:6:2:2:4:1:	6:2:2:1:	6:	C[3x3,3x4,5,5]-7:C[3x3,4,5,5]-6:H[4,4,5]-2:H[4,4,5]-2:C[4,5,5]-4:H-1:	C[3,3x4,4x5]-6:H[4,5]-2:H[4,5]-2:H-1:	C[3,3x4,4x5]-6:	C[3,3x4,4x5](C[3x3,3x4,5,5]C[3x3,4,5,5]C[4x4,5,5]C[4,5,5]H[3]2H)(C[3x3,4,5,5]C[3x3,3x4,5,5]S[4,5,5]H[3]2H)(H[4,4,5]C[4x4,5,5])2(C[4,5,5]H[4,5]2H)(H)	C[4,5,5](C[3,3x4,4x5]C[3x3,3x4,5,5]C[3x3,4,5,5]H[4,4,5]2H)(H[4,5]C[4,5,5])2(H)	H(C[3,3x4,4x5]C[3x3,3x4,5,5]C[3x3,4,5,5]C[4,5,5]H[4,4,5]2)	C[3,3x4,4x5](C[3x3,3x4,5,5]C[3x3,4,5,5]C[4x4,5,5]C[4,5,5]H[3]2H)(C[3x3,4,5,5]C[3x3,3x4,5,5]S[4,5,5]H[3]2H)(H[4,4,5]C[4x4,5,5])2(C[4,5,5]H[4,5]2H)(H){1|C<4>,2|O<1>,4|H<1>}	C[4,5,5](C[3,3x4,4x5]C[3x3,3x4,5,5]C[3x3,4,5,5]H[4,4,5]2H)(H[4,5]C[4,5,5])2(H){1|C<5>,1|S<5>,2|H<1>,2|H<2>}	H(C[3,3x4,4x5]C[3x3,3x4,5,5]C[3x3,4,5,5]C[4,5,5]H[4,4,5]2)	109.4750	0.000	1	109.4750	0.000	1	109.4750	0.000	1	109.4750	0.000	1	109.4750	0.000	1	109.4750	0.000	1
362	478	968	0:SPD6_SP-NON_SP3	C[3,3,4,4]	C[3x4]	H[3]	4:3:3:3:2:4:	6:4:2:1:	6:3:	C[3x4]-4:C[3x4]-3:O[3,3]-3:O[3]-3:H[3]-2:C-4:	C[3,3,4,4]-6:N[4,4,6]-4:H[4,4]-2:H-1:	C[3,3,4,4]-6:O[3,3]-3:	C[3,3,4,4](C[3x4]N[4,4,6]H[4,4]H)(C[3x4]N[4,4,6]H[4,4])(O[3,3]H[3]O[3])(O[3]O[3,3]H)(H[3]O[3,3])(CN[5a]HH)	C[3x4](C[3,3,4,4]C[3x4]O[3,3]H[3]O[3]C)(N[4,4,6]C[3x4]C[6]2)(H[4,4]C[3x4])(H)	H[3](C[3,3,4,4]C[3x4]2O[3,3]O[3]C)(O[3,3]C[3,3,4,4]O[3])	C[3,3,4,4](C[3x4]N[4,4,6]H[4,4]H)(C[3x4]N[4,4,6]H[4,4])(O[3,3]H[3]O[3])(O[3]O[3,3]H)(H[3]O[3,3])(CN[5a]HH){2|C<4>}	C[3x4](C[3,3,4,4]C[3x4]O[3,3]H[3]O[3]C)(N[4,4,6]C[3x4]C[6]2)(H[4,4]C[3x4])(H){2|C<4>,5|H<1>}	H[3](C[3,3,4,4]C[3x4]2O[3,3]O[3]C)(O[3,3]C[3,3,4,4]O[3])	106.3200	0.000	1	106.3200	0.000	1	106.3200	0.000	1	106.3200	0.000	1	106.3200	0.000	1	106.3200	0.000	1
362	486	490	0:SPD6_SP3_SP3	C[3x3]	C[3]	C	6:4:2:2:4:1:	6:6:1:1:	6:1:1:1:	C[3x3]-6:C[3]-4:H[3]-2:H[3]-2:C-4:H-1:	C[3x3]-6:C[3x3]-6:H-1:H-1:	C[3x3]-6:H-1:H-1:H-1:	C[3x3](C[3x3]C[3]H[3]2CH)(C[3]C[3x3]HH)(H[3]C[3x3])2(CH3)(H)	C[3](C[3x3]C[3x3]H[3]2CH)2(H)2	C(C[3x3]C[3x3]C[3]H[3]2H)(H)3	C[3x3](C[3x3]C[3]H[3]2CH)(C[3]C[3x3]HH)(H[3]C[3x3])2(CH3)(H)	C[3](C[3x3]C[3x3]H[3]2CH)2(H)2	C(C[3x3]C[3x3]C[3]H[3]2H)(H)3	144.1615	9.141	2	144.1615	83.554	2	144.1615	83.554	2	144.1615	83.554	2	144.1615	83.554	2	144.1615	83.554	2
362	486	778	0:SPD6_SP3_SPD5	C[3x3]	C[3x3]	C[3]	7:4:3:5:1:1:	7:6:5:2:	6:3:4:1:1:	C[3x3,4]-7:C[3x3]-4:C[3,3]-3:C[3]-5:H-1:H-1:	C[3x3,4]-7:C[3x3]-6:C[3,3]-5:H[3]-2:	C[3x3]-6:C[3,3]-3:C-4:H-1:H-1:	C[3x3](C[3x3,4]C[3,3]2C[3x3]C[4]2C[6])(C[3x3]C[3x3,4]C[3,3]H[3])(C[3,3]C[3x3,4]C[3])(C[3]C[3,3]CHH)(H)2	C[3x3](C[3x3,4]C[3,3]2C[3x3]C[4]2C[6])(C[3x3]C[3x3,4]C[3,3]C[3]HH)(C[3,3]C[3x3,4]H[3]HH)(H[3]C[3,3])	C[3](C[3x3]C[3x3,4]C[3,3]C[3x3]HH)(C[3,3]C[3x3,4]C[3x3])(CC[3]HH)(H)2	C[3x3](C[3x3,4]C[3,3]2C[3x3]C[4]2C[6])(C[3x3]C[3x3,4]C[3,3]H[3])(C[3,3]C[3x3,4]C[3])(C[3]C[3,3]CHH)(H)2{1|H<2>,2|C<4>,5|H<1>}	C[3x3](C[3x3,4]C[3,3]2C[3x3]C[4]2C[6])(C[3x3]C[3x3,4]C[3,3]C[3]HH)(C[3,3]C[3x3,4]H[3]HH)(H[3]C[3,3]){1|H<2>,3|C<4>,5|H<1>}	C[3](C[3x3]C[3x3,4]C[3,3]C[3x3]HH)(C[3,3]C[3x3,4]C[3x3])(CC[3]HH)(H)2{1|C<2>,1|C<5>,1|H<2>,2|C<4>}	167.1860	0.000	1	167.1860	0.000	1	167.1860	0.000	1	167.1860	0.000	1	167.1860	0.000	1	167.1860	0.000	1
362	486	899	0:SPD6_SP-NON_SP3	C[3,3]	C[3x3]	C	4:3:4:2:1:1:	6:3:3:2:	6:	C[3x3]-4:C[3,3]-3:C[6]-4:C[3]-2:C-1:C-1:	C[3,3]-6:C[3,3]-3:C[3]-3:C[3]-2:	C[3,3]-6:	C[3,3](C[3x3]C[3,3]C[3]2)(C[3,3]C[3x3]C[3])(C[6]C[6]2H)(C[3]C[3x3])(C)2	C[3x3](C[3,3]C[3,3]C[3]C[6]CC)(C[3,3]C[3,3]C[3])(C[3]C[3,3]C)(C[3]C[3,3])	C(C[3,3]C[3,3]C[3x3]C[3]C[6]C)	C[3,3](C[3x3]C[3,3]C[3]2)(C[3,3]C[3x3]C[3])(C[6]C[6]2H)(C[3]C[3x3])(C)2{1|Pd<5>,1|C<3>,1|H<1>,3|C<4>}	C[3x3](C[3,3]C[3,3]C[3]C[6]CC)(C[3,3]C[3,3]C[3])(C[3]C[3,3]C)(C[3]C[3,3]){1|C<3>,1|C<4>,1|H<1>}	C(C[3,3]C[3,3]C[3x3]C[3]C[6]C)	118.6355	18.066	2	118.6355	326.376	2	118.6355	326.376	2	118.6355	326.376	2	118.6355	326.376	2	118.6355	326.376	2
362	486	902	0:SPD6_SP2_SP3	C[3x3]	C[3x3]	C[3,3]	7:4:3:5:1:1:	7:6:5:2:	7:6:5:	C[3x3,4]-7:C[3x3]-4:C[3,3]-3:C[3]-5:H-1:H-1:	C[3x3,4]-7:C[3x3]-6:C[3,3]-5:H[3]-2:	C[3x3,4]-7:C[3x3]-6:C[3]-5:	C[3x3](C[3x3,4]C[3,3]2C[3x3]C[4]2C[6])(C[3x3]C[3x3,4]C[3,3]H[3])(C[3,3]C[3x3,4]C[3])(C[3]C[3,3]CHH)(H)2	C[3x3](C[3x3,4]C[3,3]2C[3x3]C[4]2C[6])(C[3x3]C[3x3,4]C[3,3]C[3]HH)(C[3,3]C[3x3,4]H[3]HH)(H[3]C[3,3])	C[3,3](C[3x3,4]C[3,3]C[3x3]2C[4]2C[6])(C[3x3]C[3x3,4]C[3x3]C[3]HH)(C[3]C[3x3]CHH)	C[3x3](C[3x3,4]C[3,3]2C[3x3]C[4]2C[6])(C[3x3]C[3x3,4]C[3,3]H[3])(C[3,3]C[3x3,4]C[3])(C[3]C[3,3]CHH)(H)2{1|H<2>,2|C<4>,5|H<1>}	C[3x3](C[3x3,4]C[3,3]2C[3x3]C[4]2C[6])(C[3x3]C[3x3,4]C[3,3]C[3]HH)(C[3,3]C[3x3,4]H[3]HH)(H[3]C[3,3]){1|H<2>,3|C<4>,5|H<1>}	C[3,3](C[3x3,4]C[3,3]C[3x3]2C[4]2C[6])(C[3x3]C[3x3,4]C[3x3]C[3]HH)(C[3]C[3x3]CHH){2|C<4>,2|H<2>,5|H<1>}	118.2470	0.000	1	118.2470	0.000	1	118.2470	0.000	1	118.2470	0.000	1	118.2470	0.000	1	118.2470	0.000	1
362	486	902	3:SPD6_SP2_SP3	C[3,3]	C[3x3]	C[3,3]	4:3:4:2:1:1:	6:3:3:2:	6:4:3:	C[3x3]-4:C[3,3]-3:C[6]-4:C[3]-2:C-1:C-1:	C[3,3]-6:C[3,3]-3:C[3]-3:C[3]-2:	C[3,3]-6:C[3x3]-4:C[3]-3:	C[3,3](C[3x3]C[3,3]C[3]2)(C[3,3]C[3x3]C[3])(C[6]C[6]2H)(C[3]C[3x3])(C)2	C[3x3](C[3,3]C[3,3]C[3]C[6]CC)(C[3,3]C[3,3]C[3])(C[3]C[3,3]C)(C[3]C[3,3])	C[3,3](C[3,3]C[3x3]C[3]C[6]CC)(C[3x3]C[3,3]C[3]2)(C[3]C[3x3]C)	C[3,3](C[3x3]C[3,3]C[3]2)(C[3,3]C[3x3]C[3])(C[6]C[6]2H)(C[3]C[3x3])(C)2{1|Pd<5>,1|C<3>,1|H<1>,3|C<4>}	C[3x3](C[3,3]C[3,3]C[3]C[6]CC)(C[3,3]C[3,3]C[3])(C[3]C[3,3]C)(C[3]C[3,3]){1|C<3>,1|C<4>,1|H<1>}	C[3,3](C[3,3]C[3x3]C[3]C[6]CC)(C[3x3]C[3,3]C[3]2)(C[3]C[3x3]C){1|C<3>,1|C<4>,1|H<1>}	51.4167	0.000	1	51.4167	0.000	1	51.4167	0.000	1	51.4167	0.000	1	51.4167	0.000	1	51.4167	0.000	1
362	486	951	0:SPD6_SP-NON_SP3	C[3,3]	C[3,3]	H	4:3:2:1:1:1:	6:3:2:1:	6:	C[3,3]-4:N[3]-3:H[3]-2:H-1:H-1:H-1:	C[3,3]-6:N[3]-3:H[3]-2:O-1:	C[3,3]-6:	C[3,3](C[3,3]H[3]N[3]O)(N[3]C[3,3]C)(H[3]C[3,3])(H)3	C[3,3](C[3,3]H[3]N[3]H3)(N[3]C[3,3]C)(H[3]C[3,3])(O)	H(C[3,3]C[3,3]H[3]N[3]HH)	C[3,3](C[3,3]H[3]N[3]O)(N[3]C[3,3]C)(H[3]C[3,3])(H)3	C[3,3](C[3,3]H[3]N[3]H3)(N[3]C[3,3]C)(H[3]C[3,3])(O)	H(C[3,3]C[3,3]H[3]N[3]HH)	105.2792	43.738	3	105.2792	1913.003	3	105.2792	1913.003	3	105.2792	1913.003	3	105.2792	1913.003	3	95.1769	874.270	7
362	486	951	0:SPD6_SP-NON_SP3	C[3x3]	C[3]	H	6:4:2:2:4:1:	6:6:1:1:	6:	C[3x3]-6:C[3]-4:H[3]-2:H[3]-2:C-4:H-1:	C[3x3]-6:C[3x3]-6:H-1:H-1:	C[3x3]-6:	C[3x3](C[3x3]C[3]H[3]2CH)(C[3]C[3x3]HH)(H[3]C[3x3])2(CH3)(H)	C[3](C[3x3]C[3x3]H[3]2CH)2(H)2	H(C[3x3]C[3x3]C[3]H[3]2C)	C[3x3](C[3x3]C[3]H[3]2CH)(C[3]C[3x3]HH)(H[3]C[3x3])2(CH3)(H)	C[3](C[3x3]C[3x3]H[3]2CH)2(H)2	H(C[3x3]C[3x3]C[3]H[3]2C)	100.9544	2.583	2	100.9544	6.673	2	100.9544	6.673	2	100.9544	6.673	2	100.9544	6.673	2	95.1769	874.270	7
362	486	951	0:SPD6_SP-NON_SP3	C[3x3]	C[3x3]	H	7:4:3:5:1:1:	7:6:5:2:	6:	C[3x3,4]-7:C[3x3]-4:C[3,3]-3:C[3]-5:H-1:H-1:	C[3x3,4]-7:C[3x3]-6:C[3,3]-5:H[3]-2:	C[3x3]-6:	C[3x3](C[3x3,4]C[3,3]2C[3x3]C[4]2C[6])(C[3x3]C[3x3,4]C[3,3]H[3])(C[3,3]C[3x3,4]C[3])(C[3]C[3,3]CHH)(H)2	C[3x3](C[3x3,4]C[3,3]2C[3x3]C[4]2C[6])(C[3x3]C[3x3,4]C[3,3]C[3]HH)(C[3,3]C[3x3,4]H[3]HH)(H[3]C[3,3])	H(C[3x3]C[3x3,4]C[3,3]C[3x3]C[3]H)	C[3x3](C[3x3,4]C[3,3]2C[3x3]C[4]2C[6])(C[3x3]C[3x3,4]C[3,3]H[3])(C[3,3]C[3x3,4]C[3])(C[3]C[3,3]CHH)(H)2{1|H<2>,2|C<4>,5|H<1>}	C[3x3](C[3x3,4]C[3,3]2C[3x3]C[4]2C[6])(C[3x3]C[3x3,4]C[3,3]C[3]HH)(C[3,3]C[3x3,4]H[3]HH)(H[3]C[3,3]){1|H<2>,3|C<4>,5|H<1>}	H(C[3x3]C[3x3,4]C[3,3]C[3x3]C[3]H)	74.2457	12.798	2	74.2457	163.785	2	74.2457	163.785	2	74.2457	163.785	2	74.2457	163.785	2	95.1769	874.270	7
362	486	968	0:SPD6_SP-NON_SP3	C[3,3]	C[3,3]	H[3]	4:3:2:1:1:1:	6:3:2:1:	6:4:	C[3,3]-4:N[3]-3:H[3]-2:H-1:H-1:H-1:	C[3,3]-6:N[3]-3:H[3]-2:O-1:	C[3,3]-6:C[3,3]-4:	C[3,3](C[3,3]H[3]N[3]O)(N[3]C[3,3]C)(H[3]C[3,3])(H)3	C[3,3](C[3,3]H[3]N[3]H3)(N[3]C[3,3]C)(H[3]C[3,3])(O)	H[3](C[3,3]C[3,3]N[3]H3)(C[3,3]C[3,3]N[3]O)	C[3,3](C[3,3]H[3]N[3]O)(N[3]C[3,3]C)(H[3]C[3,3])(H)3	C[3,3](C[3,3]H[3]N[3]H3)(N[3]C[3,3]C)(H[3]C[3,3])(O)	H[3](C[3,3]C[3,3]N[3]H3)(C[3,3]C[3,3]N[3]O)	41.7318	0.000	1	41.7318	0.000	1	41.7318	0.000	1	41.7318	0.000	1	41.7318	0.000	1	86.3488	652.978	5
362	486	968	0:SPD6_SP-NON_SP3	C[3x3]	C[3]	H[3]	6:4:2:2:4:1:	6:6:1:1:	6:6:	C[3x3]-6:C[3]-4:H[3]-2:H[3]-2:C-4:H-1:	C[3x3]-6:C[3x3]-6:H-1:H-1:	C[3x3]-6:C[3x3]-6:	C[3x3](C[3x3]C[3]H[3]2CH)(C[3]C[3x3]HH)(H[3]C[3x3])2(CH3)(H)	C[3](C[3x3]C[3x3]H[3]2CH)2(H)2	H[3](C[3x3]C[3x3]C[3]H[3]CH)2	C[3x3](C[3x3]C[3]H[3]2CH)(C[3]C[3x3]HH)(H[3]C[3x3])2(CH3)(H)	C[3](C[3x3]C[3x3]H[3]2CH)2(H)2	H[3](C[3x3]C[3x3]C[3]H[3]CH)2	97.5031	6.418	4	97.5031	41.189	4	97.5031	41.189	4	97.5031	41.189	4	97.5031	41.189	4	86.3488	652.978	5
362	490	778	0:SPD6_SP3_SPD5	C[3,3]	C	C[3,3]	5:8:2:4:1:1:	6:4:1:1:	6:8:2:1:1:	C[3,3]-5:C[3,3]-8:H[3]-2:C-4:H-1:H-1:	C[3,3]-6:C-4:H-1:H-1:	C[3,3]-6:C[3,3]-8:H[3]-2:H-1:H-1:	C[3,3](C[3,3]C[3,3]H[3]HH)(C[3,3]C[3,3]3H4)(H[3]C[3,3])(CCHH)(H)2	C(C[3,3]C[3,3]2H[3]HH)(CH3)(H)2	C[3,3](C[3,3]C[3,3]H[3]CHH)(C[3,3]C[3,3]3H4)(H[3]C[3,3])(H)2	C[3,3](C[3,3]C[3,3]H[3]HH)(C[3,3]C[3,3]3H4)(H[3]C[3,3])(CCHH)(H)2{1|C<4>,1|H<2>,4|H<1>}	C(C[3,3]C[3,3]2H[3]HH)(CH3)(H)2	C[3,3](C[3,3]C[3,3]H[3]CHH)(C[3,3]C[3,3]3H4)(H[3]C[3,3])(H)2{1|C<4>,1|H<2>,4|H<1>}	69.9515	0.000	1	69.9515	0.000	1	69.9515	0.000	1	69.9515	0.000	1	69.9515	0.000	1	108.4189	694.055	4
362	490	778	0:SPD6_SP3_SPD5	C[3]	C	C[3]	5:2:4:2:1:1:	6:1:1:1:	6:2:1:1:1:	C[3]-5:H[3]-2:C-4:O-2:H-1:H-1:	C[3]-6:H-1:H-1:H-1:	C[3]-6:H[3]-2:H-1:H-1:H-1:	C[3](C[3]H[3]H3)(H[3]C[3])(CH3)(OC)(H)2	C(C[3]C[3]H[3]HHO)(H)3	C[3](C[3]H[3]CHHO)(H[3]C[3])(H)3	C[3](C[3]H[3]H3)(H[3]C[3])(CH3)(OC)(H)2	C(C[3]C[3]H[3]HHO)(H)3	C[3](C[3]H[3]CHHO)(H[3]C[3])(H)3	123.7000	0.000	1	123.7000	0.000	1	123.7000	0.000	1	123.7000	0.000	1	121.2413	54.589	3	108.4189	694.055	4
362	490	778	0:SPD6_SP3_SPD5	C[3]	C	C[3]	5:5:4:1:1:1:	6:4:3:1:	6:5:1:1:1:	C[3]-5:C[3]-5:C-4:H-1:H-1:H-1:	C[3]-6:C-4:C-3:H-1:	C[3]-6:C[3]-5:H-1:H-1:H-1:	C[3](C[3]C[3]H3)2(CCCH)(H)3	C(C[3]C[3]2H3)(CH3)(COO)(H)	C[3](C[3]C[3]CH3)(C[3]C[3]H3)(H)3	C[3](C[3]C[3]H3)2(CCCH)(H)3	C(C[3]C[3]2H3)(CH3)(COO)(H)	C[3](C[3]C[3]CH3)(C[3]C[3]H3)(H)3	120.0120	10.006	2	120.0120	100.111	2	120.0120	100.111	2	120.0120	100.111	2	121.2413	54.589	3	108.4189	694.055	4
362	490	846	0:SPD6_SP2_SP3	C[3,3,4,4]	C	C[3x4]	4:3:3:3:2:4:	6:3:1:1:	6:4:2:	C[3x4]-4:C[3x4]-3:O[3,3]-3:O[3]-3:H[3]-2:C-4:	C[3,3,4,4]-6:N[5a]-3:H-1:H-1:	C[3,3,4,4]-6:N[4,4,6]-4:H[4,4]-2:	C[3,3,4,4](C[3x4]N[4,4,6]H[4,4]H)(C[3x4]N[4,4,6]H[4,4])(O[3,3]H[3]O[3])(O[3]O[3,3]H)(H[3]O[3,3])(CN[5a]HH)	C(C[3,3,4,4]C[3x4]2O[3,3]H[3]O[3])(N[5a]C[5a,6a]C[5a])(H)2	C[3x4](C[3,3,4,4]C[3x4]O[3,3]H[3]O[3]C)(N[4,4,6]C[3x4]C[6]2)(H[4,4]C[3x4])	C[3,3,4,4](C[3x4]N[4,4,6]H[4,4]H)(C[3x4]N[4,4,6]H[4,4])(O[3,3]H[3]O[3])(O[3]O[3,3]H)(H[3]O[3,3])(CN[5a]HH){2|C<4>}	C(C[3,3,4,4]C[3x4]2O[3,3]H[3]O[3])(N[5a]C[5a,6a]C[5a])(H)2	C[3x4](C[3,3,4,4]C[3x4]O[3,3]H[3]O[3]C)(N[4,4,6]C[3x4]C[6]2)(H[4,4]C[3x4]){2|C<4>,6|H<1>}	119.9300	0.000	1	119.9300	0.000	1	119.9300	0.000	1	119.9300	0.000	1	119.9300	0.000	1	119.9300	0.000	1
362	490	893	0:SPD6_SP2_SP3	C[3]	C	O	5:2:4:2:1:1:	6:1:1:1:	6:3:	C[3]-5:H[3]-2:C-4:O-2:H-1:H-1:	C[3]-6:H-1:H-1:H-1:	C[3]-6:C-3:	C[3](C[3]H[3]H3)(H[3]C[3])(CH3)(OC)(H)2	C(C[3]C[3]H[3]HHO)(H)3	O(C[3]C[3]H[3]CHH)(CC[6]O)	C[3](C[3]H[3]H3)(H[3]C[3])(CH3)(OC)(H)2	C(C[3]C[3]H[3]HHO)(H)3	O(C[3]C[3]H[3]CHH)(CC[6]O)	124.5220	0.000	1	124.5220	0.000	1	124.5220	0.000	1	124.5220	0.000	1	124.5220	0.000	1	124.5220	0.000	1
362	490	951	0:SPD6_SP-NON_SP3	C[3,3]	C	H	5:8:2:4:1:1:	6:4:1:1:	6:	C[3,3]-5:C[3,3]-8:H[3]-2:C-4:H-1:H-1:	C[3,3]-6:C-4:H-1:H-1:	C[3,3]-6:	C[3,3](C[3,3]C[3,3]H[3]HH)(C[3,3]C[3,3]3H4)(H[3]C[3,3])(CCHH)(H)2	C(C[3,3]C[3,3]2H[3]HH)(CH3)(H)2	H(C[3,3]C[3,3]2H[3]CH)	C[3,3](C[3,3]C[3,3]H[3]HH)(C[3,3]C[3,3]3H4)(H[3]C[3,3])(CCHH)(H)2{1|C<4>,1|H<2>,4|H<1>}	C(C[3,3]C[3,3]2H[3]HH)(CH3)(H)2	H(C[3,3]C[3,3]2H[3]CH)	105.8760	0.076	2	105.8760	0.006	2	105.8760	0.006	2	105.8760	0.006	2	105.8760	0.006	2	94.9723	893.650	9
362	490	951	0:SPD6_SP-NON_SP3	C[3]	C	H	5:2:4:2:1:1:	6:1:1:1:	6:	C[3]-5:H[3]-2:C-4:O-2:H-1:H-1:	C[3]-6:H-1:H-1:H-1:	C[3]-6:	C[3](C[3]H[3]H3)(H[3]C[3])(CH3)(OC)(H)2	C(C[3]C[3]H[3]HHO)(H)3	H(C[3]C[3]H[3]CHO)	C[3](C[3]H[3]H3)(H[3]C[3])(CH3)(OC)(H)2	C(C[3]C[3]H[3]HHO)(H)3	H(C[3]C[3]H[3]CHO)	56.4268	56.443	2	56.4268	3185.760	2	56.4268	3185.760	2	56.4268	3185.760	2	88.3623	1655.190	5	94.9723	893.650	9
362	490	951	0:SPD6_SP-NON_SP3	C[3]	C	H	5:5:4:1:1:1:	6:4:3:1:	6:	C[3]-5:C[3]-5:C-4:H-1:H-1:H-1:	C[3]-6:C-4:C-3:H-1:	C[3]-6:	C[3](C[3]C[3]H3)2(CCCH)(H)3	C(C[3]C[3]2H3)(CH3)(COO)(H)	H(C[3]C[3]2CHH)	C[3](C[3]C[3]H3)2(CCCH)(H)3	C(C[3]C[3]2H3)(CH3)(COO)(H)	H(C[3]C[3]2CHH)	109.6527	4.208	3	109.6527	17.704	3	109.6527	17.704	3	109.6527	17.704	3	88.3623	1655.190	5	94.9723	893.650	9
362	490	951	0:SPD6_SP-NON_SP3	C[3x3]	C	H	6:4:2:2:4:1:	6:1:1:1:	6:	C[3x3]-6:C[3]-4:H[3]-2:H[3]-2:C-4:H-1:	C[3x3]-6:H-1:H-1:H-1:	C[3x3]-6:	C[3x3](C[3x3]C[3]H[3]2CH)(C[3]C[3x3]HH)(H[3]C[3x3])2(CH3)(H)	C(C[3x3]C[3x3]C[3]H[3]2H)(H)3	H(C[3x3]C[3x3]C[3]H[3]2C)	C[3x3](C[3x3]C[3]H[3]2CH)(C[3]C[3x3]HH)(H[3]C[3x3])2(CH3)(H)	C(C[3x3]C[3x3]C[3]H[3]2H)(H)3	H(C[3x3]C[3x3]C[3]H[3]2C)	100.5937	2.999	2	100.5937	8.991	2	100.5937	8.991	2	100.5937	8.991	2	100.5937	8.991	2	94.9723	893.650	9
362	490	968	0:SPD6_SP-NON_SP3	C[3,3,4,4]	C	H[3]	4:3:3:3:2:4:	6:3:1:1:	6:3:	C[3x4]-4:C[3x4]-3:O[3,3]-3:O[3]-3:H[3]-2:C-4:	C[3,3,4,4]-6:N[5a]-3:H-1:H-1:	C[3,3,4,4]-6:O[3,3]-3:	C[3,3,4,4](C[3x4]N[4,4,6]H[4,4]H)(C[3x4]N[4,4,6]H[4,4])(O[3,3]H[3]O[3])(O[3]O[3,3]H)(H[3]O[3,3])(CN[5a]HH)	C(C[3,3,4,4]C[3x4]2O[3,3]H[3]O[3])(N[5a]C[5a,6a]C[5a])(H)2	H[3](C[3,3,4,4]C[3x4]2O[3,3]O[3]C)(O[3,3]C[3,3,4,4]O[3])	C[3,3,4,4](C[3x4]N[4,4,6]H[4,4]H)(C[3x4]N[4,4,6]H[4,4])(O[3,3]H[3]O[3])(O[3]O[3,3]H)(H[3]O[3,3])(CN[5a]HH){2|C<4>}	C(C[3,3,4,4]C[3x4]2O[3,3]H[3]O[3])(N[5a]C[5a,6a]C[5a])(H)2	H[3](C[3,3,4,4]C[3x4]2O[3,3]O[3]C)(O[3,3]C[3,3,4,4]O[3])	110.3190	0.000	1	110.3190	0.000	1	110.3190	0.000	1	110.3190	0.000	1	110.3190	0.000	1	92.5732	782.034	7
362	490	968	0:SPD6_SP-NON_SP3	C[3,3]	C	H[3]	5:8:2:4:1:1:	6:4:1:1:	6:5:	C[3,3]-5:C[3,3]-8:H[3]-2:C-4:H-1:H-1:	C[3,3]-6:C-4:H-1:H-1:	C[3,3]-6:C[3,3]-5:	C[3,3](C[3,3]C[3,3]H[3]HH)(C[3,3]C[3,3]3H4)(H[3]C[3,3])(CCHH)(H)2	C(C[3,3]C[3,3]2H[3]HH)(CH3)(H)2	H[3](C[3,3]C[3,3]2CHH)(C[3,3]C[3,3]2HH)	C[3,3](C[3,3]C[3,3]H[3]HH)(C[3,3]C[3,3]3H4)(H[3]C[3,3])(CCHH)(H)2{1|C<4>,1|H<2>,4|H<1>}	C(C[3,3]C[3,3]2H[3]HH)(CH3)(H)2	H[3](C[3,3]C[3,3]2CHH)(C[3,3]C[3,3]2HH)	31.1641	0.000	1	31.1641	0.000	1	31.1641	0.000	1	31.1641	0.000	1	31.1641	0.000	1	92.5732	782.034	7
362	490	968	0:SPD6_SP-NON_SP3	C[3]	C	H[3]	5:2:4:2:1:1:	6:1:1:1:	6:5:	C[3]-5:H[3]-2:C-4:O-2:H-1:H-1:	C[3]-6:H-1:H-1:H-1:	C[3]-6:C[3]-5:	C[3](C[3]H[3]H3)(H[3]C[3])(CH3)(OC)(H)2	C(C[3]C[3]H[3]HHO)(H)3	H[3](C[3]C[3]CHHO)(C[3]C[3]H3)	C[3](C[3]H[3]H3)(H[3]C[3])(CH3)(OC)(H)2	C(C[3]C[3]H[3]HHO)(H)3	H[3](C[3]C[3]CHHO)(C[3]C[3]H3)	106.2280	0.000	1	106.2280	0.000	1	106.2280	0.000	1	106.2280	0.000	1	106.2280	0.000	1	92.5732	782.034	7
362	490	968	0:SPD6_SP-NON_SP3	C[3x3]	C	H[3]	6:4:2:2:4:1:	6:1:1:1:	6:6:	C[3x3]-6:C[3]-4:H[3]-2:H[3]-2:C-4:H-1:	C[3x3]-6:H-1:H-1:H-1:	C[3x3]-6:C[3x3]-6:	C[3x3](C[3x3]C[3]H[3]2CH)(C[3]C[3x3]HH)(H[3]C[3x3])2(CH3)(H)	C(C[3x3]C[3x3]C[3]H[3]2H)(H)3	H[3](C[3x3]C[3x3]C[3]H[3]CH)2	C[3x3](C[3x3]C[3]H[3]2CH)(C[3]C[3x3]HH)(H[3]C[3x3])2(CH3)(H)	C(C[3x3]C[3x3]C[3]H[3]2H)(H)3	H[3](C[3x3]C[3x3]C[3]H[3]CH)2	100.0754	8.055	4	100.0754	64.877	4	100.0754	64.877	4	100.0754	64.877	4	100.0754	64.877	4	92.5732	782.034	7
362	714	951	0:SPD6_SP-NON_SPD5	C[3x3,4,5,5]	S[4,5,5]	H	7:6:5:2:2:1:	6:5:4:1:1:	6:	C[3x3,3x4,5,5]-7:C[3,3x4,4x5]-6:S[4,5,5]-5:H[3]-2:H[3]-2:H-1:	C[3x3,4,5,5]-6:C[4x4,5,5]-5:C[5]-4:O-1:O-1:	C[3x3,4,5,5]-6:	C[3x3,4,5,5](C[3x3,3x4,5,5]C[3,3x4,4x5]C[4x4,5,5]C[4,5,5]H[3]2H)(C[3,3x4,4x5]C[3x3,3x4,5,5]C[4,5,5]H[4,4,5]2H)(S[4,5,5]C[4x4,5,5]C[5]OO)(H[3]C[3x3,3x4,5,5])2(H)	S[4,5,5](C[3x3,4,5,5]C[3x3,3x4,5,5]C[3,3x4,4x5]H[3]2H)(C[4x4,5,5]C[3x3,3x4,5,5]H[4,4,5]2H)(C[5]C[5]2H)(O)2	H(C[3x3,4,5,5]C[3x3,3x4,5,5]C[3,3x4,4x5]S[4,5,5]H[3]2)	C[3x3,4,5,5](C[3x3,3x4,5,5]C[3,3x4,4x5]C[4x4,5,5]C[4,5,5]H[3]2H)(C[3,3x4,4x5]C[3x3,3x4,5,5]C[4,5,5]H[4,4,5]2H)(S[4,5,5]C[4x4,5,5]C[5]OO)(H[3]C[3x3,3x4,5,5])2(H){2|C<4>,2|H<2>,6|H<1>}	S[4,5,5](C[3x3,4,5,5]C[3x3,3x4,5,5]C[3,3x4,4x5]H[3]2H)(C[4x4,5,5]C[3x3,3x4,5,5]H[4,4,5]2H)(C[5]C[5]2H)(O)2{1|C<6>,1|N<3>,4|C<4>,4|H<1>}	H(C[3x3,4,5,5]C[3x3,3x4,5,5]C[3,3x4,4x5]S[4,5,5]H[3]2)	109.6590	0.000	1	109.6590	0.000	1	109.6590	0.000	1	109.6590	0.000	1	109.6590	0.000	1	109.6590	0.000	1
362	714	968	0:SPD6_SP-NON_SPD5	C[3x3,4,5,5]	S[4,5,5]	H[3]	7:6:5:2:2:1:	6:5:4:1:1:	7:6:	C[3x3,3x4,5,5]-7:C[3,3x4,4x5]-6:S[4,5,5]-5:H[3]-2:H[3]-2:H-1:	C[3x3,4,5,5]-6:C[4x4,5,5]-5:C[5]-4:O-1:O-1:	C[3x3,3x4,5,5]-7:C[3x3,4,5,5]-6:	C[3x3,4,5,5](C[3x3,3x4,5,5]C[3,3x4,4x5]C[4x4,5,5]C[4,5,5]H[3]2H)(C[3,3x4,4x5]C[3x3,3x4,5,5]C[4,5,5]H[4,4,5]2H)(S[4,5,5]C[4x4,5,5]C[5]OO)(H[3]C[3x3,3x4,5,5])2(H)	S[4,5,5](C[3x3,4,5,5]C[3x3,3x4,5,5]C[3,3x4,4x5]H[3]2H)(C[4x4,5,5]C[3x3,3x4,5,5]H[4,4,5]2H)(C[5]C[5]2H)(O)2	H[3](C[3x3,3x4,5,5]C[3,3x4,4x5]C[3x3,4,5,5]C[4x4,5,5]C[4,5,5]H[3]H)(C[3x3,4,5,5]C[3x3,3x4,5,5]C[3,3x4,4x5]S[4,5,5]H[3]H)	C[3x3,4,5,5](C[3x3,3x4,5,5]C[3,3x4,4x5]C[4x4,5,5]C[4,5,5]H[3]2H)(C[3,3x4,4x5]C[3x3,3x4,5,5]C[4,5,5]H[4,4,5]2H)(S[4,5,5]C[4x4,5,5]C[5]OO)(H[3]C[3x3,3x4,5,5])2(H){2|C<4>,2|H<2>,6|H<1>}	S[4,5,5](C[3x3,4,5,5]C[3x3,3x4,5,5]C[3,3x4,4x5]H[3]2H)(C[4x4,5,5]C[3x3,3x4,5,5]H[4,4,5]2H)(C[5]C[5]2H)(O)2{1|C<6>,1|N<3>,4|C<4>,4|H<1>}	H[3](C[3x3,3x4,5,5]C[3,3x4,4x5]C[3x3,4,5,5]C[4x4,5,5]C[4,5,5]H[3]H)(C[3x3,4,5,5]C[3x3,3x4,5,5]C[3,3x4,4x5]S[4,5,5]H[3]H)	117.3900	10.891	2	117.3900	118.611	2	117.3900	118.611	2	117.3900	118.611	2	117.3900	118.611	2	117.3900	118.611	2
362	762	778	0:SPD6_SP2_SPD5	C[5x3,5x5,20x6]	C[6]	C[5x3,5x5,20x6]	6:6:6:6:5:3:	6:3:3:	6:6:6:6:6:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-5:C[6]-3:	C[5x3,5x5,20x6]-6:C[6]-3:C[6]-3:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4)(C[6]C[6]2)	C[6](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6]C[6]H)(C[6]N[6]H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4)(C[6]C[6]2){1|B<6>,1|C<3>,1|N<3>,7|H<1>}	C[6](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6]C[6]H)(C[6]N[6]H){1|Ir<6>,1|C<3>,5|B<6>,5|H<1>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2{1|B<6>,2|C<3>,5|H<1>}	120.5040	0.000	1	120.5040	0.000	1	120.5040	0.000	1	120.5040	0.000	1	120.5040	0.000	1	120.5040	0.000	1
362	778	778	3:SPD6_SPD5_SPD5	C[3]	C[3]	C[3]	5:5:4:1:1:1:	6:5:1:1:1:	6:5:1:1:1:	C[3]-5:C[3]-5:C-4:H-1:H-1:H-1:	C[3]-6:C[3]-5:H-1:H-1:H-1:	C[3]-6:C[3]-5:H-1:H-1:H-1:	C[3](C[3]C[3]H3)2(CCCH)(H)3	C[3](C[3]C[3]CH3)(C[3]C[3]H3)(H)3	C[3](C[3]C[3]CH3)(C[3]C[3]H3)(H)3	C[3](C[3]C[3]H3)2(CCCH)(H)3	C[3](C[3]C[3]CH3)(C[3]C[3]H3)(H)3	C[3](C[3]C[3]CH3)(C[3]C[3]H3)(H)3	66.7184	0.000	1	66.7184	0.000	1	66.7184	0.000	1	66.7184	0.000	1	66.7184	0.000	1	66.7184	0.000	1
362	778	893	0:SPD6_SP2_SPD5	C[3]	C[3]	O	5:2:4:2:1:1:	6:2:1:1:1:	6:3:	C[3]-5:H[3]-2:C-4:O-2:H-1:H-1:	C[3]-6:H[3]-2:H-1:H-1:H-1:	C[3]-6:C-3:	C[3](C[3]H[3]H3)(H[3]C[3])(CH3)(OC)(H)2	C[3](C[3]H[3]CHHO)(H[3]C[3])(H)3	O(C[3]C[3]H[3]CHH)(CC[6]O)	C[3](C[3]H[3]H3)(H[3]C[3])(CH3)(OC)(H)2	C[3](C[3]H[3]CHHO)(H[3]C[3])(H)3	O(C[3]C[3]H[3]CHH)(CC[6]O)	111.2530	0.000	1	111.2530	0.000	1	111.2530	0.000	1	111.2530	0.000	1	111.2530	0.000	1	111.2530	0.000	1
362	778	902	3:SPD6_SP2_SPD5	C[3x3]	C[3]	C[3,3]	7:4:3:5:1:1:	6:3:4:1:1:	7:6:5:	C[3x3,4]-7:C[3x3]-4:C[3,3]-3:C[3]-5:H-1:H-1:	C[3x3]-6:C[3,3]-3:C-4:H-1:H-1:	C[3x3,4]-7:C[3x3]-6:C[3]-5:	C[3x3](C[3x3,4]C[3,3]2C[3x3]C[4]2C[6])(C[3x3]C[3x3,4]C[3,3]H[3])(C[3,3]C[3x3,4]C[3])(C[3]C[3,3]CHH)(H)2	C[3](C[3x3]C[3x3,4]C[3,3]C[3x3]HH)(C[3,3]C[3x3,4]C[3x3])(CC[3]HH)(H)2	C[3,3](C[3x3,4]C[3,3]C[3x3]2C[4]2C[6])(C[3x3]C[3x3,4]C[3x3]C[3]HH)(C[3]C[3x3]CHH)	C[3x3](C[3x3,4]C[3,3]2C[3x3]C[4]2C[6])(C[3x3]C[3x3,4]C[3,3]H[3])(C[3,3]C[3x3,4]C[3])(C[3]C[3,3]CHH)(H)2{1|H<2>,2|C<4>,5|H<1>}	C[3](C[3x3]C[3x3,4]C[3,3]C[3x3]HH)(C[3,3]C[3x3,4]C[3x3])(CC[3]HH)(H)2{1|C<2>,1|C<5>,1|H<2>,2|C<4>}	C[3,3](C[3x3,4]C[3,3]C[3x3]2C[4]2C[6])(C[3x3]C[3x3,4]C[3x3]C[3]HH)(C[3]C[3x3]CHH){2|C<4>,2|H<2>,5|H<1>}	62.9484	0.000	1	62.9484	0.000	1	62.9484	0.000	1	62.9484	0.000	1	62.9484	0.000	1	62.9484	0.000	1
362	778	920	3:SPD6_SP3_SPD5	C[4x3,4,4,5]	C[4x3,4,4,5]	O[4x3,4,4]	7:5:4:3:2:1:	7:6:4:5:3:	6:5:7:4:	C[6x3,4,4]-7:C[4x3,4,4,5]-5:O[4x3,4,4]-4:H[3,4,4,5]-3:H[3]-2:H-1:	C[6x3,4,4]-7:C[4x3,4,4,5]-6:O[4x3,4,4]-4:C[4,4,5]-5:H[3,3]-3:	C[4x3,4,4,5]-6:C[4x3,4,4,5]-5:C[6x3,4,4]-7:C[3,4x4,5]-4:	C[4x3,4,4,5](C[6x3,4,4]C[4x3,4,4,5]C[3,4x4,5]O[4x3,4,4]H[3,3]H[3]H)(C[4x3,4,4,5]C[6x3,4,4]O[4x3,4,4]C[4,4,5]H[3,3])(O[4x3,4,4]C[4x3,4,4,5]C[3,4x4,5]C[6x3,4,4])(H[3,4,4,5]C[3,4x4,5]H[3])(H[3]H[3,4,4,5])(H)	C[4x3,4,4,5](C[6x3,4,4]C[4x3,4,4,5]C[3,4x4,5]O[4x3,4,4]H[3,3]H[3]H)(C[4x3,4,4,5]C[6x3,4,4]H[3,4,4,5]O[4x3,4,4]H[3]H)(O[4x3,4,4]C[4x3,4,4,5]C[3,4x4,5]C[6x3,4,4])(C[4,4,5]C[3,4x4,5]HHO)(H[3,3]C[6x3,4,4]H[3])	O[4x3,4,4](C[4x3,4,4,5]C[4x3,4,4,5]C[6x3,4,4]H[3,4,4,5]H[3]H)(C[4x3,4,4,5]C[4x3,4,4,5]C[6x3,4,4]C[4,4,5]H[3,3])(C[6x3,4,4]C[4x3,4,4,5]2C[3,4x4,5]H[3,3]H[3]H)(C[3,4x4,5]C[6x3,4,4]H[3,4,4,5]C[4,4,5])	C[4x3,4,4,5](C[6x3,4,4]C[4x3,4,4,5]C[3,4x4,5]O[4x3,4,4]H[3,3]H[3]H)(C[4x3,4,4,5]C[6x3,4,4]O[4x3,4,4]C[4,4,5]H[3,3])(O[4x3,4,4]C[4x3,4,4,5]C[3,4x4,5]C[6x3,4,4])(H[3,4,4,5]C[3,4x4,5]H[3])(H[3]H[3,4,4,5])(H){1|O<2>,2|H<1>}	C[4x3,4,4,5](C[6x3,4,4]C[4x3,4,4,5]C[3,4x4,5]O[4x3,4,4]H[3,3]H[3]H)(C[4x3,4,4,5]C[6x3,4,4]H[3,4,4,5]O[4x3,4,4]H[3]H)(O[4x3,4,4]C[4x3,4,4,5]C[3,4x4,5]C[6x3,4,4])(C[4,4,5]C[3,4x4,5]HHO)(H[3,3]C[6x3,4,4]H[3])	O[4x3,4,4](C[4x3,4,4,5]C[4x3,4,4,5]C[6x3,4,4]H[3,4,4,5]H[3]H)(C[4x3,4,4,5]C[4x3,4,4,5]C[6x3,4,4]C[4,4,5]H[3,3])(C[6x3,4,4]C[4x3,4,4,5]2C[3,4x4,5]H[3,3]H[3]H)(C[3,4x4,5]C[6x3,4,4]H[3,4,4,5]C[4,4,5]){1|O<2>,2|H<1>}	58.3224	0.000	1	58.3224	0.000	1	58.3224	0.000	1	58.3224	0.000	1	58.3224	0.000	1	58.3224	0.000	1
362	778	951	0:SPD6_SP-NON_SPD5	C[3,3]	C[3,3]	H	5:8:2:4:1:1:	6:8:2:1:1:	6:	C[3,3]-5:C[3,3]-8:H[3]-2:C-4:H-1:H-1:	C[3,3]-6:C[3,3]-8:H[3]-2:H-1:H-1:	C[3,3]-6:	C[3,3](C[3,3]C[3,3]H[3]HH)(C[3,3]C[3,3]3H4)(H[3]C[3,3])(CCHH)(H)2	C[3,3](C[3,3]C[3,3]H[3]CHH)(C[3,3]C[3,3]3H4)(H[3]C[3,3])(H)2	H(C[3,3]C[3,3]2H[3]CH)	C[3,3](C[3,3]C[3,3]H[3]HH)(C[3,3]C[3,3]3H4)(H[3]C[3,3])(CCHH)(H)2{1|C<4>,1|H<2>,4|H<1>}	C[3,3](C[3,3]C[3,3]H[3]CHH)(C[3,3]C[3,3]3H4)(H[3]C[3,3])(H)2{1|C<4>,1|H<2>,4|H<1>}	H(C[3,3]C[3,3]2H[3]CH)	126.6465	6.089	2	126.6465	37.075	2	126.6465	37.075	2	126.6465	37.075	2	126.6465	37.075	2	109.2993	1238.412	23
362	778	951	0:SPD6_SP-NON_SPD5	C[3,4,6]	C[3,4]	H	6:5:2:2:1:1:	6:2:2:1:1:	6:	C[3,4,6]-6:C[3,4]-5:H[3]-2:S[6]-2:H-1:H-1:	C[3,4,6]-6:H[3]-2:H[4]-2:H-1:H-1:	C[3,4,6]-6:	C[3,4,6](C[3,4,6]H[3]2H[4]S[6]H)(C[3,4]H[3]H[4]HH)(H[3]C[3,4])(S[6]C[5,6])(H)2	C[3,4](C[3,4,6]C[3,4,6]H[3]S[6]HH)(H[3]C[3,4,6])(H[4]C[3,4,6])(H)2	H(C[3,4,6]C[3,4,6]C[3,4]H[3]S[6]H)	C[3,4,6](C[3,4,6]H[3]2H[4]S[6]H)(C[3,4]H[3]H[4]HH)(H[3]C[3,4])(S[6]C[5,6])(H)2{1|C<3>,1|S<2>}	C[3,4](C[3,4,6]C[3,4,6]H[3]S[6]HH)(H[3]C[3,4,6])(H[4]C[3,4,6])(H)2{1|C<3>,1|H<1>,1|S<2>,2|H<2>}	H(C[3,4,6]C[3,4,6]C[3,4]H[3]S[6]H)	144.0200	2.049	2	144.0200	4.199	2	144.0200	4.199	2	144.0200	4.199	2	144.0200	4.199	2	109.2993	1238.412	23
362	778	951	0:SPD6_SP-NON_SPD5	C[3]	C[3]	H	5:2:4:2:1:1:	6:2:1:1:1:	6:	C[3]-5:H[3]-2:C-4:O-2:H-1:H-1:	C[3]-6:H[3]-2:H-1:H-1:H-1:	C[3]-6:	C[3](C[3]H[3]H3)(H[3]C[3])(CH3)(OC)(H)2	C[3](C[3]H[3]CHHO)(H[3]C[3])(H)3	H(C[3]C[3]H[3]CHO)	C[3](C[3]H[3]H3)(H[3]C[3])(CH3)(OC)(H)2	C[3](C[3]H[3]CHHO)(H[3]C[3])(H)3	H(C[3]C[3]H[3]CHO)	103.2876	47.347	2	103.2876	2241.740	2	103.2876	2241.740	2	103.2876	2241.740	2	81.3891	1851.427	8	109.2993	1238.412	23
362	778	951	0:SPD6_SP-NON_SPD5	C[3]	C[3]	H	5:5:4:1:1:1:	6:5:1:1:1:	6:	C[3]-5:C[3]-5:C-4:H-1:H-1:H-1:	C[3]-6:C[3]-5:H-1:H-1:H-1:	C[3]-6:	C[3](C[3]C[3]H3)2(CCCH)(H)3	C[3](C[3]C[3]CH3)(C[3]C[3]H3)(H)3	H(C[3]C[3]2CHH)	C[3](C[3]C[3]H3)2(CCCH)(H)3	C[3](C[3]C[3]CH3)(C[3]C[3]H3)(H)3	H(C[3]C[3]2CHH)	74.0896	43.450	6	74.0896	1887.894	6	74.0896	1887.894	6	74.0896	1887.894	6	81.3891	1851.427	8	109.2993	1238.412	23
362	778	951	0:SPD6_SP-NON_SPD5	C[3x3]	C[3,3,3x4]	H	7:5:6:2:1:1:	7:6:2:2:2:	6:	C[4x3,4,4]-7:C[3,3,3x4]-5:C[3,3]-6:H[3]-2:H-1:H-1:	C[4x3,4,4]-7:C[3x3]-6:H[4,4]-2:H[4,4]-2:H[3]-2:	C[3x3]-6:	C[3x3](C[4x3,4,4]C[3,3,3x4]C[3,3]2C[3x3]C[3x4]C)(C[3,3,3x4]C[4x3,4,4]H[4,4]2H[3])(C[3,3]C[4x3,4,4]C[3x3]H3)(H[3]C[3,3,3x4])(H)2	C[3,3,3x4](C[4x3,4,4]C[3,3]2C[3x3]2C[3x4]C)(C[3x3]C[4x3,4,4]C[3,3]H[3]HH)(H[4,4]C[3x4])2(H[3]C[3x3])	H(C[3x3]C[3,3,3x4]C[4x3,4,4]C[3,3]H[3]H)	C[3x3](C[4x3,4,4]C[3,3,3x4]C[3,3]2C[3x3]C[3x4]C)(C[3,3,3x4]C[4x3,4,4]H[4,4]2H[3])(C[3,3]C[4x3,4,4]C[3x3]H3)(H[3]C[3,3,3x4])(H)2{1|H<2>,5|H<1>}	C[3,3,3x4](C[4x3,4,4]C[3,3]2C[3x3]2C[3x4]C)(C[3x3]C[4x3,4,4]C[3,3]H[3]HH)(H[4,4]C[3x4])2(H[3]C[3x3]){1|H<2>,8|H<1>}	H(C[3x3]C[3,3,3x4]C[4x3,4,4]C[3,3]H[3]H)	126.9749	39.460	2	126.9749	1557.054	2	126.9749	1557.054	2	126.9749	1557.054	2	126.9749	1557.054	2	109.2993	1238.412	23
362	778	951	0:SPD6_SP-NON_SPD5	C[3x3]	C[3,3]	H	7:6:5:2:1:1:	7:6:2:1:1:	6:	C[4x3,4,4]-7:C[3,3]-6:C[3,3]-5:H[3]-2:H-1:H-1:	C[4x3,4,4]-7:C[3x3]-6:H[3]-2:H-1:H-1:	C[3x3]-6:	C[3x3](C[4x3,4,4]C[3,3,3x4]C[3,3]2C[3x3]C[3x4]C)(C[3,3]C[4x3,4,4]C[3x3]H3)(C[3,3]C[4x3,4,4]H[3]HH)(H[3]C[3,3])(H)2	C[3,3](C[4x3,4,4]C[3,3,3x4]C[3,3]C[3x3]2C[3x4]C)(C[3x3]C[4x3,4,4]C[3,3]H[3]HH)(H[3]C[3x3])(H)2	H(C[3x3]C[4x3,4,4]C[3,3]2H[3]H)	C[3x3](C[4x3,4,4]C[3,3,3x4]C[3,3]2C[3x3]C[3x4]C)(C[3,3]C[4x3,4,4]C[3x3]H3)(C[3,3]C[4x3,4,4]H[3]HH)(H[3]C[3,3])(H)2{3|H<1>,3|H<2>}	C[3,3](C[4x3,4,4]C[3,3,3x4]C[3,3]C[3x3]2C[3x4]C)(C[3x3]C[4x3,4,4]C[3,3]H[3]HH)(H[3]C[3x3])(H)2{3|H<2>,6|H<1>}	H(C[3x3]C[4x3,4,4]C[3,3]2H[3]H)	128.8755	39.826	2	128.8755	1586.140	2	128.8755	1586.140	2	128.8755	1586.140	2	128.8755	1586.140	2	109.2993	1238.412	23
362	778	951	0:SPD6_SP-NON_SPD5	C[3x3]	C[3]	H	7:4:3:5:1:1:	6:3:4:1:1:	6:	C[3x3,4]-7:C[3x3]-4:C[3,3]-3:C[3]-5:H-1:H-1:	C[3x3]-6:C[3,3]-3:C-4:H-1:H-1:	C[3x3]-6:	C[3x3](C[3x3,4]C[3,3]2C[3x3]C[4]2C[6])(C[3x3]C[3x3,4]C[3,3]H[3])(C[3,3]C[3x3,4]C[3])(C[3]C[3,3]CHH)(H)2	C[3](C[3x3]C[3x3,4]C[3,3]C[3x3]HH)(C[3,3]C[3x3,4]C[3x3])(CC[3]HH)(H)2	H(C[3x3]C[3x3,4]C[3,3]C[3x3]C[3]H)	C[3x3](C[3x3,4]C[3,3]2C[3x3]C[4]2C[6])(C[3x3]C[3x3,4]C[3,3]H[3])(C[3,3]C[3x3,4]C[3])(C[3]C[3,3]CHH)(H)2{1|H<2>,2|C<4>,5|H<1>}	C[3](C[3x3]C[3x3,4]C[3,3]C[3x3]HH)(C[3,3]C[3x3,4]C[3x3])(CC[3]HH)(H)2{1|C<2>,1|C<5>,1|H<2>,2|C<4>}	H(C[3x3]C[3x3,4]C[3,3]C[3x3]C[3]H)	109.4960	0.006	2	109.4960	0.000	2	109.4960	0.000	2	109.4960	0.000	2	109.4960	0.000	2	109.2993	1238.412	23
362	778	951	0:SPD6_SP-NON_SPD5	C[4x3,4,4,5]	C[4x3,4,4,5]	H	7:5:4:3:2:1:	7:6:4:5:3:	6:	C[6x3,4,4]-7:C[4x3,4,4,5]-5:O[4x3,4,4]-4:H[3,4,4,5]-3:H[3]-2:H-1:	C[6x3,4,4]-7:C[4x3,4,4,5]-6:O[4x3,4,4]-4:C[4,4,5]-5:H[3,3]-3:	C[4x3,4,4,5]-6:	C[4x3,4,4,5](C[6x3,4,4]C[4x3,4,4,5]C[3,4x4,5]O[4x3,4,4]H[3,3]H[3]H)(C[4x3,4,4,5]C[6x3,4,4]O[4x3,4,4]C[4,4,5]H[3,3])(O[4x3,4,4]C[4x3,4,4,5]C[3,4x4,5]C[6x3,4,4])(H[3,4,4,5]C[3,4x4,5]H[3])(H[3]H[3,4,4,5])(H)	C[4x3,4,4,5](C[6x3,4,4]C[4x3,4,4,5]C[3,4x4,5]O[4x3,4,4]H[3,3]H[3]H)(C[4x3,4,4,5]C[6x3,4,4]H[3,4,4,5]O[4x3,4,4]H[3]H)(O[4x3,4,4]C[4x3,4,4,5]C[3,4x4,5]C[6x3,4,4])(C[4,4,5]C[3,4x4,5]HHO)(H[3,3]C[6x3,4,4]H[3])	H(C[4x3,4,4,5]C[4x3,4,4,5]C[6x3,4,4]H[3,4,4,5]O[4x3,4,4]H[3])	C[4x3,4,4,5](C[6x3,4,4]C[4x3,4,4,5]C[3,4x4,5]O[4x3,4,4]H[3,3]H[3]H)(C[4x3,4,4,5]C[6x3,4,4]O[4x3,4,4]C[4,4,5]H[3,3])(O[4x3,4,4]C[4x3,4,4,5]C[3,4x4,5]C[6x3,4,4])(H[3,4,4,5]C[3,4x4,5]H[3])(H[3]H[3,4,4,5])(H){1|O<2>,2|H<1>}	C[4x3,4,4,5](C[6x3,4,4]C[4x3,4,4,5]C[3,4x4,5]O[4x3,4,4]H[3,3]H[3]H)(C[4x3,4,4,5]C[6x3,4,4]H[3,4,4,5]O[4x3,4,4]H[3]H)(O[4x3,4,4]C[4x3,4,4,5]C[3,4x4,5]C[6x3,4,4])(C[4,4,5]C[3,4x4,5]HHO)(H[3,3]C[6x3,4,4]H[3])	H(C[4x3,4,4,5]C[4x3,4,4,5]C[6x3,4,4]H[3,4,4,5]O[4x3,4,4]H[3])	124.3950	0.000	1	124.3950	0.000	1	124.3950	0.000	1	124.3950	0.000	1	124.3950	0.000	1	109.2993	1238.412	23
362	778	951	0:SPD6_SP-NON_SPD5	C[4x3,4,5x5,21x6]	C[3x3,4,3x5,14x6]	H	6:6:5:5:6:1:	6:6:6:6:4:	6:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[3x3,4,3x5,14x6]-5:C[3x3,4,3x5,14x6]-5:B[5x3,4x5,19x6]-6:H-1:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[4x3,4,5x5,21x6]-6:C[4x3,4,5x5,21x6]-6:C-4:	C[4x3,4,5x5,21x6]-6:	C[4x3,4,5x5,21x6](B[5x3,4x5,17x6]B[3x3,4,3x5,14x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)(B[5x3,4x5,17x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)(B[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]2Ru)(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]2C)(B[5x3,4x5,19x6]B[5x3,4x5,17x6]2B[5x3,5x5,14x6]2H)(H)	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)(B[5x3,4x5,17x6]C[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)(B[4x3,4,5x5,21x6]B[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)(C[4x3,4,5x5,21x6]B[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)(CC[5]CC)	H(C[4x3,4,5x5,21x6]B[3x3,4,3x5,14x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6])	C[4x3,4,5x5,21x6](B[5x3,4x5,17x6]B[3x3,4,3x5,14x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)(B[5x3,4x5,17x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)(B[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]2Ru)(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]2C)(B[5x3,4x5,19x6]B[5x3,4x5,17x6]2B[5x3,5x5,14x6]2H)(H){1|B<6>,5|H<1>}	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)(B[5x3,4x5,17x6]C[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)(B[4x3,4,5x5,21x6]B[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)(C[4x3,4,5x5,21x6]B[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)(CC[5]CC){1|Ru<8>,1|B<6>,5|H<1>}	H(C[4x3,4,5x5,21x6]B[3x3,4,3x5,14x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6])	117.5720	0.000	1	117.5720	0.000	1	117.5720	0.000	1	117.5720	0.000	1	117.5720	0.000	1	109.2993	1238.412	23
362	778	951	0:SPD6_SP-NON_SPD5	C[5x3,4,9x5,6,6]	C[4x3,4x5,4x6]	H	6:6:6:6:5:1:	6:6:6:6:3:	6:	B[5x3,4,9x5,6,6]-6:B[5x3,4,9x5,6,6]-6:B[5x3,4,9x5,6,6]-6:B[5x3,4,9x5,6,6]-6:C[4x3,4x5,4x6]-5:H-1:	B[5x3,4,9x5,6,6]-6:B[5x3,4,9x5,6,6]-6:B[5x3,4,9x5,6,6]-6:C[5x3,4,9x5,6,6]-6:C[6a]-3:	C[5x3,4,9x5,6,6]-6:	C[5x3,4,9x5,6,6](B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]3B[4x3,4x5,4x6]H)2(B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]3C[4x3,4x5,4x6]H)2(C[4x3,4x5,4x6]B[5x3,4,9x5,6,6]3C[6a])(H)	C[4x3,4x5,4x6](B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]3C[5x3,4,9x5,6,6]H)2(B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]4H)(C[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]4H)(C[6a]C[6a]2)	H(C[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]4C[4x3,4x5,4x6])	C[5x3,4,9x5,6,6](B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]3B[4x3,4x5,4x6]H)2(B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]3C[4x3,4x5,4x6]H)2(C[4x3,4x5,4x6]B[5x3,4,9x5,6,6]3C[6a])(H){2|C<3>,4|H<1>}	C[4x3,4x5,4x6](B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]3C[5x3,4,9x5,6,6]H)2(B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]4H)(C[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]4H)(C[6a]C[6a]2){1|B<5>,2|C<3>,6|H<1>}	H(C[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]4C[4x3,4x5,4x6])	118.2200	0.000	1	118.2200	0.000	1	118.2200	0.000	1	118.2200	0.000	1	115.2890	17.182	2	109.2993	1238.412	23
362	778	951	0:SPD6_SP-NON_SPD5	C[5x3,4,9x5,6,6]	C[4x3,4x5,4x6]	H	6:6:6:6:5:1:	6:6:6:6:4:	6:	B[5x3,4,9x5,6,6]-6:B[5x3,4,9x5,6,6]-6:B[5x3,4,9x5,6,6]-6:B[5x3,4,9x5,6,6]-6:C[4x3,4x5,4x6]-5:H-1:	B[5x3,4,9x5,6,6]-6:B[5x3,4,9x5,6,6]-6:B[5x3,4,9x5,6,6]-6:C[5x3,4,9x5,6,6]-6:C-4:	C[5x3,4,9x5,6,6]-6:	C[5x3,4,9x5,6,6](B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]3B[4x3,4x5,4x6]H)2(B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]3C[4x3,4x5,4x6]H)2(C[4x3,4x5,4x6]B[5x3,4,9x5,6,6]3C)(H)	C[4x3,4x5,4x6](B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]3C[5x3,4,9x5,6,6]H)2(B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]4H)(C[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]4H)(CH3)	H(C[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]4C[4x3,4x5,4x6])	C[5x3,4,9x5,6,6](B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]3B[4x3,4x5,4x6]H)2(B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]3C[4x3,4x5,4x6]H)2(C[4x3,4x5,4x6]B[5x3,4,9x5,6,6]3C)(H){1|Cl<1>,3|H<1>}	C[4x3,4x5,4x6](B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]3C[5x3,4,9x5,6,6]H)2(B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]4H)(C[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]4H)(CH3){1|B<5>,4|H<1>}	H(C[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]4C[4x3,4x5,4x6])	112.3580	0.000	1	112.3580	0.000	1	112.3580	0.000	1	112.3580	0.000	1	115.2890	17.182	2	109.2993	1238.412	23
362	778	951	0:SPD6_SP-NON_SPD5	C[5x3,5x5,20x6]	C[5x3,5x5,20x6]	H	8:6:6:5:6:1:	8:6:6:6:6:	6:	Nb[5x3,5x5,20x6]-8:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-5:B[5x3,5x5,20x6]-6:H-1:	Nb[5x3,5x5,20x6]-8:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:	C[5x3,5x5,20x6]-6:	C[5x3,5x5,20x6](Nb[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]N3)(B[5x3,5x5,20x6]Nb[5x3,5x5,20x6]B[5x3,5x5,20x6]3H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(C[5x3,5x5,20x6]Nb[5x3,5x5,20x6]B[5x3,5x5,20x6]3)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(H)	C[5x3,5x5,20x6](Nb[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]N3)(B[5x3,5x5,20x6]Nb[5x3,5x5,20x6]B[5x3,5x5,20x6]3H)(C[5x3,5x5,20x6]Nb[5x3,5x5,20x6]B[5x3,5x5,20x6]3H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)	H(C[5x3,5x5,20x6]Nb[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6])	C[5x3,5x5,20x6](Nb[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]N3)(B[5x3,5x5,20x6]Nb[5x3,5x5,20x6]B[5x3,5x5,20x6]3H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(C[5x3,5x5,20x6]Nb[5x3,5x5,20x6]B[5x3,5x5,20x6]3)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(H){1|B<6>,5|H<1>}	C[5x3,5x5,20x6](Nb[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]N3)(B[5x3,5x5,20x6]Nb[5x3,5x5,20x6]B[5x3,5x5,20x6]3H)(C[5x3,5x5,20x6]Nb[5x3,5x5,20x6]B[5x3,5x5,20x6]3H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H){1|B<6>,5|H<1>}	H(C[5x3,5x5,20x6]Nb[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6])	118.2000	0.000	1	118.2000	0.000	1	118.2000	0.000	1	118.2000	0.000	1	118.2000	0.000	1	109.2993	1238.412	23
362	778	968	0:SPD6_SP-NON_SPD5	C[3,3]	C[3,3]	H[3]	5:8:2:4:1:1:	6:8:2:1:1:	6:5:	C[3,3]-5:C[3,3]-8:H[3]-2:C-4:H-1:H-1:	C[3,3]-6:C[3,3]-8:H[3]-2:H-1:H-1:	C[3,3]-6:C[3,3]-5:	C[3,3](C[3,3]C[3,3]H[3]HH)(C[3,3]C[3,3]3H4)(H[3]C[3,3])(CCHH)(H)2	C[3,3](C[3,3]C[3,3]H[3]CHH)(C[3,3]C[3,3]3H4)(H[3]C[3,3])(H)2	H[3](C[3,3]C[3,3]2CHH)(C[3,3]C[3,3]2HH)	C[3,3](C[3,3]C[3,3]H[3]HH)(C[3,3]C[3,3]3H4)(H[3]C[3,3])(CCHH)(H)2{1|C<4>,1|H<2>,4|H<1>}	C[3,3](C[3,3]C[3,3]H[3]CHH)(C[3,3]C[3,3]3H4)(H[3]C[3,3])(H)2{1|C<4>,1|H<2>,4|H<1>}	H[3](C[3,3]C[3,3]2CHH)(C[3,3]C[3,3]2HH)	39.0134	0.000	1	39.0134	0.000	1	39.0134	0.000	1	39.0134	0.000	1	39.0134	0.000	1	60.8753	859.955	6
362	778	968	0:SPD6_SP-NON_SPD5	C[3,4,6]	C[3,4]	H[3]	6:5:2:2:1:1:	6:2:2:1:1:	6:5:	C[3,4,6]-6:C[3,4]-5:H[3]-2:S[6]-2:H-1:H-1:	C[3,4,6]-6:H[3]-2:H[4]-2:H-1:H-1:	C[3,4,6]-6:C[3,4]-5:	C[3,4,6](C[3,4,6]H[3]2H[4]S[6]H)(C[3,4]H[3]H[4]HH)(H[3]C[3,4])(S[6]C[5,6])(H)2	C[3,4](C[3,4,6]C[3,4,6]H[3]S[6]HH)(H[3]C[3,4,6])(H[4]C[3,4,6])(H)2	H[3](C[3,4,6]C[3,4,6]C[3,4]S[6]HH)(C[3,4]C[3,4,6]H[4]HH)	C[3,4,6](C[3,4,6]H[3]2H[4]S[6]H)(C[3,4]H[3]H[4]HH)(H[3]C[3,4])(S[6]C[5,6])(H)2{1|C<3>,1|S<2>}	C[3,4](C[3,4,6]C[3,4,6]H[3]S[6]HH)(H[3]C[3,4,6])(H[4]C[3,4,6])(H)2{1|C<3>,1|H<1>,1|S<2>,2|H<2>}	H[3](C[3,4,6]C[3,4,6]C[3,4]S[6]HH)(C[3,4]C[3,4,6]H[4]HH)	46.2032	0.000	1	46.2032	0.000	1	46.2032	0.000	1	46.2032	0.000	1	46.2032	0.000	1	60.8753	859.955	6
362	778	968	0:SPD6_SP-NON_SPD5	C[3]	C[3]	H[3]	5:2:4:2:1:1:	6:2:1:1:1:	6:5:	C[3]-5:H[3]-2:C-4:O-2:H-1:H-1:	C[3]-6:H[3]-2:H-1:H-1:H-1:	C[3]-6:C[3]-5:	C[3](C[3]H[3]H3)(H[3]C[3])(CH3)(OC)(H)2	C[3](C[3]H[3]CHHO)(H[3]C[3])(H)3	H[3](C[3]C[3]CHHO)(C[3]C[3]H3)	C[3](C[3]H[3]H3)(H[3]C[3])(CH3)(OC)(H)2	C[3](C[3]H[3]CHHO)(H[3]C[3])(H)3	H[3](C[3]C[3]CHHO)(C[3]C[3]H3)	41.9539	0.000	1	41.9539	0.000	1	41.9539	0.000	1	41.9539	0.000	1	41.9539	0.000	1	60.8753	859.955	6
362	778	968	0:SPD6_SP-NON_SPD5	C[3x3]	C[3,3,3x4]	H[3]	7:5:6:2:1:1:	7:6:2:2:2:	6:5:	C[4x3,4,4]-7:C[3,3,3x4]-5:C[3,3]-6:H[3]-2:H-1:H-1:	C[4x3,4,4]-7:C[3x3]-6:H[4,4]-2:H[4,4]-2:H[3]-2:	C[3x3]-6:C[3,3,3x4]-5:	C[3x3](C[4x3,4,4]C[3,3,3x4]C[3,3]2C[3x3]C[3x4]C)(C[3,3,3x4]C[4x3,4,4]H[4,4]2H[3])(C[3,3]C[4x3,4,4]C[3x3]H3)(H[3]C[3,3,3x4])(H)2	C[3,3,3x4](C[4x3,4,4]C[3,3]2C[3x3]2C[3x4]C)(C[3x3]C[4x3,4,4]C[3,3]H[3]HH)(H[4,4]C[3x4])2(H[3]C[3x3])	H[3](C[3x3]C[3,3,3x4]C[4x3,4,4]C[3,3]HH)(C[3,3,3x4]C[4x3,4,4]C[3x3]H[4,4]2)	C[3x3](C[4x3,4,4]C[3,3,3x4]C[3,3]2C[3x3]C[3x4]C)(C[3,3,3x4]C[4x3,4,4]H[4,4]2H[3])(C[3,3]C[4x3,4,4]C[3x3]H3)(H[3]C[3,3,3x4])(H)2{1|H<2>,5|H<1>}	C[3,3,3x4](C[4x3,4,4]C[3,3]2C[3x3]2C[3x4]C)(C[3x3]C[4x3,4,4]C[3,3]H[3]HH)(H[4,4]C[3x4])2(H[3]C[3x3]){1|H<2>,8|H<1>}	H[3](C[3x3]C[3,3,3x4]C[4x3,4,4]C[3,3]HH)(C[3,3,3x4]C[4x3,4,4]C[3x3]H[4,4]2)	64.7777	0.000	1	64.7777	0.000	1	64.7777	0.000	1	64.7777	0.000	1	64.7777	0.000	1	60.8753	859.955	6
362	778	968	0:SPD6_SP-NON_SPD5	C[3x3]	C[3,3]	H[3]	7:6:5:2:1:1:	7:6:2:1:1:	6:5:	C[4x3,4,4]-7:C[3,3]-6:C[3,3]-5:H[3]-2:H-1:H-1:	C[4x3,4,4]-7:C[3x3]-6:H[3]-2:H-1:H-1:	C[3x3]-6:C[3,3]-5:	C[3x3](C[4x3,4,4]C[3,3,3x4]C[3,3]2C[3x3]C[3x4]C)(C[3,3]C[4x3,4,4]C[3x3]H3)(C[3,3]C[4x3,4,4]H[3]HH)(H[3]C[3,3])(H)2	C[3,3](C[4x3,4,4]C[3,3,3x4]C[3,3]C[3x3]2C[3x4]C)(C[3x3]C[4x3,4,4]C[3,3]H[3]HH)(H[3]C[3x3])(H)2	H[3](C[3x3]C[4x3,4,4]C[3,3]2HH)(C[3,3]C[4x3,4,4]C[3x3]HH)	C[3x3](C[4x3,4,4]C[3,3,3x4]C[3,3]2C[3x3]C[3x4]C)(C[3,3]C[4x3,4,4]C[3x3]H3)(C[3,3]C[4x3,4,4]H[3]HH)(H[3]C[3,3])(H)2{3|H<1>,3|H<2>}	C[3,3](C[4x3,4,4]C[3,3,3x4]C[3,3]C[3x3]2C[3x4]C)(C[3x3]C[4x3,4,4]C[3,3]H[3]HH)(H[3]C[3x3])(H)2{3|H<2>,6|H<1>}	H[3](C[3x3]C[4x3,4,4]C[3,3]2HH)(C[3,3]C[4x3,4,4]C[3x3]HH)	55.7933	0.000	1	55.7933	0.000	1	55.7933	0.000	1	55.7933	0.000	1	55.7933	0.000	1	60.8753	859.955	6
362	778	968	0:SPD6_SP-NON_SPD5	C[4x3,4,4,5]	C[4x3,4,4,5]	H[3]	7:5:4:3:2:1:	7:6:4:5:3:	6:3:	C[6x3,4,4]-7:C[4x3,4,4,5]-5:O[4x3,4,4]-4:H[3,4,4,5]-3:H[3]-2:H-1:	C[6x3,4,4]-7:C[4x3,4,4,5]-6:O[4x3,4,4]-4:C[4,4,5]-5:H[3,3]-3:	C[4x3,4,4,5]-6:H[3,4,4,5]-3:	C[4x3,4,4,5](C[6x3,4,4]C[4x3,4,4,5]C[3,4x4,5]O[4x3,4,4]H[3,3]H[3]H)(C[4x3,4,4,5]C[6x3,4,4]O[4x3,4,4]C[4,4,5]H[3,3])(O[4x3,4,4]C[4x3,4,4,5]C[3,4x4,5]C[6x3,4,4])(H[3,4,4,5]C[3,4x4,5]H[3])(H[3]H[3,4,4,5])(H)	C[4x3,4,4,5](C[6x3,4,4]C[4x3,4,4,5]C[3,4x4,5]O[4x3,4,4]H[3,3]H[3]H)(C[4x3,4,4,5]C[6x3,4,4]H[3,4,4,5]O[4x3,4,4]H[3]H)(O[4x3,4,4]C[4x3,4,4,5]C[3,4x4,5]C[6x3,4,4])(C[4,4,5]C[3,4x4,5]HHO)(H[3,3]C[6x3,4,4]H[3])	H[3](C[4x3,4,4,5]C[4x3,4,4,5]C[6x3,4,4]H[3,4,4,5]O[4x3,4,4]H)(H[3,4,4,5]C[4x3,4,4,5]C[3,4x4,5])	C[4x3,4,4,5](C[6x3,4,4]C[4x3,4,4,5]C[3,4x4,5]O[4x3,4,4]H[3,3]H[3]H)(C[4x3,4,4,5]C[6x3,4,4]O[4x3,4,4]C[4,4,5]H[3,3])(O[4x3,4,4]C[4x3,4,4,5]C[3,4x4,5]C[6x3,4,4])(H[3,4,4,5]C[3,4x4,5]H[3])(H[3]H[3,4,4,5])(H){1|O<2>,2|H<1>}	C[4x3,4,4,5](C[6x3,4,4]C[4x3,4,4,5]C[3,4x4,5]O[4x3,4,4]H[3,3]H[3]H)(C[4x3,4,4,5]C[6x3,4,4]H[3,4,4,5]O[4x3,4,4]H[3]H)(O[4x3,4,4]C[4x3,4,4,5]C[3,4x4,5]C[6x3,4,4])(C[4,4,5]C[3,4x4,5]HHO)(H[3,3]C[6x3,4,4]H[3])	H[3](C[4x3,4,4,5]C[4x3,4,4,5]C[6x3,4,4]H[3,4,4,5]O[4x3,4,4]H)(H[3,4,4,5]C[4x3,4,4,5]C[3,4x4,5])	117.5100	0.000	1	117.5100	0.000	1	117.5100	0.000	1	117.5100	0.000	1	117.5100	0.000	1	60.8753	859.955	6
362	782	951	0:SPD6_SP-NON_SPD5	C[3x3]	N[3x3]	H	6:5:3:2:1:1:	7:6:6:5:2:	6:	C[3x3]-6:N[3x3]-5:H[3,3]-3:H[3]-2:H-1:H-1:	C[4x3]-7:C[3x3]-6:C[3x3]-6:C[3,3]-5:C-2:	C[3x3]-6:	C[3x3](C[3x3]C[4x3]H[3,3]N[3x3]HH)(N[3x3]C[3,3]C[3x3]C[4x3]C)(H[3,3]C[3x3]H[3])(H[3]H[3,3])(H)2	N[3x3](C[4x3]C[3,3]C[3x3]H[3,3]H[3]HH)(C[3x3]C[3x3]C[4x3]H[3,3]HH)(C[3x3]C[3x3]H[3,3]H[3]HH)(C[3,3]C[4x3]H[3,3]HH)(CN)	H(C[3x3]C[3x3]H[3,3]N[3x3]H[3]H)	C[3x3](C[3x3]C[4x3]H[3,3]N[3x3]HH)(N[3x3]C[3,3]C[3x3]C[4x3]C)(H[3,3]C[3x3]H[3])(H[3]H[3,3])(H)2{1|H<2>,1|H<3>,4|H<1>}	N[3x3](C[4x3]C[3,3]C[3x3]H[3,3]H[3]HH)(C[3x3]C[3x3]C[4x3]H[3,3]HH)(C[3x3]C[3x3]H[3,3]H[3]HH)(C[3,3]C[4x3]H[3,3]HH)(CN)	H(C[3x3]C[3x3]H[3,3]N[3x3]H[3]H)	109.5295	0.049	2	109.5295	0.002	2	109.5295	0.002	2	109.5295	0.002	2	109.4958	0.006	4	109.4958	0.006	4
362	782	951	0:SPD6_SP-NON_SPD5	C[3x3]	N[3x3]	H	7:5:6:3:1:1:	7:6:6:5:2:	6:	C[4x3]-7:N[3x3]-5:C[3x3]-6:H[3,3]-3:H-1:H-1:	C[4x3]-7:C[3x3]-6:C[3x3]-6:C[3,3]-5:C-2:	C[3x3]-6:	C[3x3](C[4x3]C[3,3]H[3,3]N[3x3]H[3]HH)(N[3x3]C[3,3]C[3x3]C[4x3]C)(C[3x3]H[3,3]N[3x3]H[3]HH)(H[3,3]C[3x3]H[3])(H)2	N[3x3](C[4x3]C[3,3]C[3x3]H[3,3]H[3]HH)(C[3x3]C[3x3]C[4x3]H[3,3]HH)(C[3x3]C[3x3]H[3,3]H[3]HH)(C[3,3]C[4x3]H[3,3]HH)(CN)	H(C[3x3]C[3x3]C[4x3]H[3,3]N[3x3]H)	C[3x3](C[4x3]C[3,3]H[3,3]N[3x3]H[3]HH)(N[3x3]C[3,3]C[3x3]C[4x3]C)(C[3x3]H[3,3]N[3x3]H[3]HH)(H[3,3]C[3x3]H[3])(H)2{2|H<1>}	N[3x3](C[4x3]C[3,3]C[3x3]H[3,3]H[3]HH)(C[3x3]C[3x3]C[4x3]H[3,3]HH)(C[3x3]C[3x3]H[3,3]H[3]HH)(C[3,3]C[4x3]H[3,3]HH)(CN)	H(C[3x3]C[3x3]C[4x3]H[3,3]N[3x3]H)	109.4620	0.102	2	109.4620	0.010	2	109.4620	0.010	2	109.4620	0.010	2	109.4958	0.006	4	109.4958	0.006	4
362	782	968	0:SPD6_SP-NON_SPD5	C[3x3]	N[3x3]	H[3]	6:5:3:2:1:1:	7:6:6:5:2:	6:3:	C[3x3]-6:N[3x3]-5:H[3,3]-3:H[3]-2:H-1:H-1:	C[4x3]-7:C[3x3]-6:C[3x3]-6:C[3,3]-5:C-2:	C[3x3]-6:H[3,3]-3:	C[3x3](C[3x3]C[4x3]H[3,3]N[3x3]HH)(N[3x3]C[3,3]C[3x3]C[4x3]C)(H[3,3]C[3x3]H[3])(H[3]H[3,3])(H)2	N[3x3](C[4x3]C[3,3]C[3x3]H[3,3]H[3]HH)(C[3x3]C[3x3]C[4x3]H[3,3]HH)(C[3x3]C[3x3]H[3,3]H[3]HH)(C[3,3]C[4x3]H[3,3]HH)(CN)	H[3](C[3x3]C[3x3]H[3,3]N[3x3]HH)(H[3,3]C[3x3]2)	C[3x3](C[3x3]C[4x3]H[3,3]N[3x3]HH)(N[3x3]C[3,3]C[3x3]C[4x3]C)(H[3,3]C[3x3]H[3])(H[3]H[3,3])(H)2{1|H<2>,1|H<3>,4|H<1>}	N[3x3](C[4x3]C[3,3]C[3x3]H[3,3]H[3]HH)(C[3x3]C[3x3]C[4x3]H[3,3]HH)(C[3x3]C[3x3]H[3,3]H[3]HH)(C[3,3]C[4x3]H[3,3]HH)(CN)	H[3](C[3x3]C[3x3]H[3,3]N[3x3]HH)(H[3,3]C[3x3]2)	109.4340	0.000	1	109.4340	0.000	1	109.4340	0.000	1	109.4340	0.000	1	109.4340	0.000	1	109.4340	0.000	1
362	802	802	0:SPD6_SP-NON_SP-NON	C[3,3,4,4,6]	H[4]	H[4]	7:6:6:2:2:1:	6:2:	6:2:	C[6x3]-7:C[3x3,4,6]-6:C[3,3,4,4,6]-6:H[4]-2:H[4]-2:H-1:	C[3,3,4,4,6]-6:H[4]-2:	C[3,3,4,4,6]-6:H[4]-2:	C[3,3,4,4,6](C[6x3]C[3,3,4,4,6]C[3x3,4,6]2C[4x3,4,6]2C[6])(C[3x3,4,6]C[4x3,4,6]C[6x3]H[3,3]H[4]H)(C[3,3,4,4,6]C[3x3,4,6]C[6x3]H[4]2H)(H[4]H[4])2(H)	H[4](C[3,3,4,4,6]C[3,3,4,4,6]C[3x3,4,6]C[6x3]H[4]H)(H[4]C[3,3,4,4,6])	H[4](C[3,3,4,4,6]C[3,3,4,4,6]C[3x3,4,6]C[6x3]H[4]H)(H[4]C[3x3,4,6])	C[3,3,4,4,6](C[6x3]C[3,3,4,4,6]C[3x3,4,6]2C[4x3,4,6]2C[6])(C[3x3,4,6]C[4x3,4,6]C[6x3]H[3,3]H[4]H)(C[3,3,4,4,6]C[3x3,4,6]C[6x3]H[4]2H)(H[4]H[4])2(H){1|H<3>,2|C<3>,3|H<1>,5|H<2>}	H[4](C[3,3,4,4,6]C[3,3,4,4,6]C[3x3,4,6]C[6x3]H[4]H)(H[4]C[3,3,4,4,6])	H[4](C[3,3,4,4,6]C[3,3,4,4,6]C[3x3,4,6]C[6x3]H[4]H)(H[4]C[3x3,4,6])	109.5070	0.000	1	109.5070	0.000	1	109.5070	0.000	1	109.5070	0.000	1	109.5070	0.000	1	62.8632	2202.389	3
362	802	802	0:SPD6_SP-NON_SP-NON	C[3,3x4,4x5]	H[4,4,5]	H[4,4,5]	7:6:2:2:4:1:	6:5:	6:5:	C[3x3,3x4,5,5]-7:C[3x3,4,5,5]-6:H[4,4,5]-2:H[4,4,5]-2:C[4,5,5]-4:H-1:	C[3,3x4,4x5]-6:C[4x4,5,5]-5:	C[3,3x4,4x5]-6:C[4x4,5,5]-5:	C[3,3x4,4x5](C[3x3,3x4,5,5]C[3x3,4,5,5]C[4x4,5,5]C[4,5,5]H[3]2H)(C[3x3,4,5,5]C[3x3,3x4,5,5]S[4,5,5]H[3]2H)(H[4,4,5]C[4x4,5,5])2(C[4,5,5]H[4,5]2H)(H)	H[4,4,5](C[3,3x4,4x5]C[3x3,3x4,5,5]C[3x3,4,5,5]C[4,5,5]H[4,4,5]H)(C[4x4,5,5]C[3x3,3x4,5,5]H[4,4,5]S[4,5,5]H)	H[4,4,5](C[3,3x4,4x5]C[3x3,3x4,5,5]C[3x3,4,5,5]C[4,5,5]H[4,4,5]H)(C[4x4,5,5]C[3x3,3x4,5,5]H[4,4,5]S[4,5,5]H)	C[3,3x4,4x5](C[3x3,3x4,5,5]C[3x3,4,5,5]C[4x4,5,5]C[4,5,5]H[3]2H)(C[3x3,4,5,5]C[3x3,3x4,5,5]S[4,5,5]H[3]2H)(H[4,4,5]C[4x4,5,5])2(C[4,5,5]H[4,5]2H)(H){1|C<4>,2|O<1>,4|H<1>}	H[4,4,5](C[3,3x4,4x5]C[3x3,3x4,5,5]C[3x3,4,5,5]C[4,5,5]H[4,4,5]H)(C[4x4,5,5]C[3x3,3x4,5,5]H[4,4,5]S[4,5,5]H)	H[4,4,5](C[3,3x4,4x5]C[3x3,3x4,5,5]C[3x3,4,5,5]C[4,5,5]H[4,4,5]H)(C[4x4,5,5]C[3x3,3x4,5,5]H[4,4,5]S[4,5,5]H)	63.4297	0.000	1	63.4297	0.000	1	63.4297	0.000	1	63.4297	0.000	1	63.4297	0.000	1	62.8632	2202.389	3
362	802	802	0:SPD6_SP-NON_SP-NON	C[3,6x4]	H[3x4]	H[3x4]	7:3:2:2:2:1:	6:5:	6:5:	C[3x3,3x4]-7:H[3,3x4]-3:H[3]-2:H[3x4]-2:H[3x4]-2:H-1:	C[3,6x4]-6:C[6x4]-5:	C[3,6x4]-6:C[6x4]-5:	C[3,6x4](C[3x3,3x4]C[3x3]2C[4x3]2C[6x4]C[6a])(H[3,3x4]C[6x4]H[3])(H[3]H[3,3x4])(H[3x4]C[6x4])2(H)	H[3x4](C[3,6x4]C[3x3,3x4]H[3,3x4]H[3x4]H[3]H)(C[6x4]C[3x3,3x4]H[3,3x4]H[3x4]H)	H[3x4](C[3,6x4]C[3x3,3x4]H[3,3x4]H[3x4]H[3]H)(C[6x4]C[3x3,3x4]H[3,3x4]H[3x4]H)	C[3,6x4](C[3x3,3x4]C[3x3]2C[4x3]2C[6x4]C[6a])(H[3,3x4]C[6x4]H[3])(H[3]H[3,3x4])(H[3x4]C[6x4])2(H){2|C<3>,4|H<2>,9|H<1>}	H[3x4](C[3,6x4]C[3x3,3x4]H[3,3x4]H[3x4]H[3]H)(C[6x4]C[3x3,3x4]H[3,3x4]H[3x4]H)	H[3x4](C[3,6x4]C[3x3,3x4]H[3,3x4]H[3x4]H[3]H)(C[6x4]C[3x3,3x4]H[3,3x4]H[3x4]H)	15.6529	0.000	1	15.6529	0.000	1	15.6529	0.000	1	15.6529	0.000	1	15.6529	0.000	1	62.8632	2202.389	3
362	802	897	0:SPD6_SP-NON_SP3	C[3,7x4]	H[3x4]	O[5x4]	3:3:3:2:2:1:	6:6:	6:6:4:	O[5x4]-3:O[5x4]-3:H[3,3x4]-3:H[3]-2:H[3x4]-2:H-1:	C[3,7x4]-6:C[7x4]-6:	C[3,7x4]-6:C[7x4]-6:C[4,4,6]-4:	C[3,7x4](O[5x4]C[4,4,6]C[7x4])2(H[3,3x4]C[7x4]H[3])(H[3]H[3,3x4])(H[3x4]C[7x4])(H)	H[3x4](C[3,7x4]H[3,3x4]O[5x4]2H[3]H)(C[7x4]H[3,3x4]O[5x4]2HH)	O[5x4](C[3,7x4]H[3,3x4]H[3x4]O[5x4]H[3]H)(C[7x4]H[3,3x4]H[3x4]O[5x4]HH)(C[4,4,6]O[5x4]C[6]2)	C[3,7x4](O[5x4]C[4,4,6]C[7x4])2(H[3,3x4]C[7x4]H[3])(H[3]H[3,3x4])(H[3x4]C[7x4])(H){2|C<3>,2|H<1>}	H[3x4](C[3,7x4]H[3,3x4]O[5x4]2H[3]H)(C[7x4]H[3,3x4]O[5x4]2HH)	O[5x4](C[3,7x4]H[3,3x4]H[3x4]O[5x4]H[3]H)(C[7x4]H[3,3x4]H[3x4]O[5x4]HH)(C[4,4,6]O[5x4]C[6]2){1|H<1>,1|O<2>,2|C<3>}	114.1215	6.929	2	114.1215	48.010	2	114.1215	48.010	2	114.1215	48.010	2	114.1215	48.010	2	114.1215	48.010	2
362	802	951	0:SPD6_SP-NON_SP-NON	C[3,3,4,4,6]	H[4]	H	7:6:6:2:2:1:	6:2:	6:	C[6x3]-7:C[3x3,4,6]-6:C[3,3,4,4,6]-6:H[4]-2:H[4]-2:H-1:	C[3,3,4,4,6]-6:H[4]-2:	C[3,3,4,4,6]-6:	C[3,3,4,4,6](C[6x3]C[3,3,4,4,6]C[3x3,4,6]2C[4x3,4,6]2C[6])(C[3x3,4,6]C[4x3,4,6]C[6x3]H[3,3]H[4]H)(C[3,3,4,4,6]C[3x3,4,6]C[6x3]H[4]2H)(H[4]H[4])2(H)	H[4](C[3,3,4,4,6]C[3,3,4,4,6]C[3x3,4,6]C[6x3]H[4]H)(H[4]C[3,3,4,4,6])	H(C[3,3,4,4,6]C[3,3,4,4,6]C[3x3,4,6]C[6x3]H[4]2)	C[3,3,4,4,6](C[6x3]C[3,3,4,4,6]C[3x3,4,6]2C[4x3,4,6]2C[6])(C[3x3,4,6]C[4x3,4,6]C[6x3]H[3,3]H[4]H)(C[3,3,4,4,6]C[3x3,4,6]C[6x3]H[4]2H)(H[4]H[4])2(H){1|H<3>,2|C<3>,3|H<1>,5|H<2>}	H[4](C[3,3,4,4,6]C[3,3,4,4,6]C[3x3,4,6]C[6x3]H[4]H)(H[4]C[3,3,4,4,6])	H(C[3,3,4,4,6]C[3,3,4,4,6]C[3x3,4,6]C[6x3]H[4]2)	109.5780	0.000	1	109.5780	0.000	1	109.5780	0.000	1	109.5780	0.000	1	109.5780	0.000	1	102.6173	336.687	9
362	802	951	0:SPD6_SP-NON_SP-NON	C[3,3,4,6]	H[4]	H	7:7:7:2:1:1:	6:2:	6:	N[6x3]-7:C[4x3,4,6]-7:C[4x3,6]-7:H[4]-2:H-1:H-1:	C[3,3,4,6]-6:H[4]-2:	C[3,3,4,6]-6:	C[3,3,4,6](N[6x3]C[4x3,4,6]C[3x3,6]C[4x3,6]2C[5x3,6]Ru)(C[4x3,4,6]C[5x3,6]N[6x3]H[3]2H[4]H)(C[4x3,6]C[4x3,6]N[6x3]H[3]2HH)(H[4]H[4])(H)2	H[4](C[3,3,4,6]C[4x3,4,6]C[4x3,6]N[6x3]HH)(H[4]C[4x3,4,6])	H(C[3,3,4,6]C[4x3,4,6]C[4x3,6]N[6x3]H[4]H)	C[3,3,4,6](N[6x3]C[4x3,4,6]C[3x3,6]C[4x3,6]2C[5x3,6]Ru)(C[4x3,4,6]C[5x3,6]N[6x3]H[3]2H[4]H)(C[4x3,6]C[4x3,6]N[6x3]H[3]2HH)(H[4]H[4])(H)2{1|H<2>,6|H<1>}	H[4](C[3,3,4,6]C[4x3,4,6]C[4x3,6]N[6x3]HH)(H[4]C[4x3,4,6])	H(C[3,3,4,6]C[4x3,4,6]C[4x3,6]N[6x3]H[4]H)	109.5360	0.000	1	109.5360	0.000	1	109.5360	0.000	1	109.5360	0.000	1	109.5360	0.000	1	102.6173	336.687	9
362	802	951	0:SPD6_SP-NON_SP-NON	C[3,3x4,4x5]	H[4,4,5]	H	7:6:2:2:4:1:	6:5:	6:	C[3x3,3x4,5,5]-7:C[3x3,4,5,5]-6:H[4,4,5]-2:H[4,4,5]-2:C[4,5,5]-4:H-1:	C[3,3x4,4x5]-6:C[4x4,5,5]-5:	C[3,3x4,4x5]-6:	C[3,3x4,4x5](C[3x3,3x4,5,5]C[3x3,4,5,5]C[4x4,5,5]C[4,5,5]H[3]2H)(C[3x3,4,5,5]C[3x3,3x4,5,5]S[4,5,5]H[3]2H)(H[4,4,5]C[4x4,5,5])2(C[4,5,5]H[4,5]2H)(H)	H[4,4,5](C[3,3x4,4x5]C[3x3,3x4,5,5]C[3x3,4,5,5]C[4,5,5]H[4,4,5]H)(C[4x4,5,5]C[3x3,3x4,5,5]H[4,4,5]S[4,5,5]H)	H(C[3,3x4,4x5]C[3x3,3x4,5,5]C[3x3,4,5,5]C[4,5,5]H[4,4,5]2)	C[3,3x4,4x5](C[3x3,3x4,5,5]C[3x3,4,5,5]C[4x4,5,5]C[4,5,5]H[3]2H)(C[3x3,4,5,5]C[3x3,3x4,5,5]S[4,5,5]H[3]2H)(H[4,4,5]C[4x4,5,5])2(C[4,5,5]H[4,5]2H)(H){1|C<4>,2|O<1>,4|H<1>}	H[4,4,5](C[3,3x4,4x5]C[3x3,3x4,5,5]C[3x3,4,5,5]C[4,5,5]H[4,4,5]H)(C[4x4,5,5]C[3x3,3x4,5,5]H[4,4,5]S[4,5,5]H)	H(C[3,3x4,4x5]C[3x3,3x4,5,5]C[3x3,4,5,5]C[4,5,5]H[4,4,5]2)	82.4062	37.926	2	82.4062	1438.383	2	82.4062	1438.383	2	82.4062	1438.383	2	82.4062	1438.383	2	102.6173	336.687	9
362	802	951	0:SPD6_SP-NON_SP-NON	C[3,4,6]	H[4]	H	6:2:2:2:2:1:	6:5:	6:	C[3,4,6]-6:H[4]-2:S[6]-2:H[3]-2:H[3]-2:H-1:	C[3,4,6]-6:C[3,4]-5:	C[3,4,6]-6:	C[3,4,6](C[3,4,6]C[3,4]H[3]S[6]HH)(H[4]C[3,4])(S[6]C[5,6])(H[3]H[3])2(H)	H[4](C[3,4,6]C[3,4,6]H[3]2S[6]H)(C[3,4]C[3,4,6]H[3]HH)	H(C[3,4,6]C[3,4,6]H[3]2H[4]S[6])	C[3,4,6](C[3,4,6]C[3,4]H[3]S[6]HH)(H[4]C[3,4])(S[6]C[5,6])(H[3]H[3])2(H){1|C<3>,1|S<2>,2|H<1>}	H[4](C[3,4,6]C[3,4,6]H[3]2S[6]H)(C[3,4]C[3,4,6]H[3]HH)	H(C[3,4,6]C[3,4,6]H[3]2H[4]S[6])	114.9310	0.000	1	114.9310	0.000	1	114.9310	0.000	1	114.9310	0.000	1	114.9310	0.000	1	102.6173	336.687	9
362	802	951	0:SPD6_SP-NON_SP-NON	C[3,6x4]	H[3x4]	H	7:3:2:2:2:1:	6:5:	6:	C[3x3,3x4]-7:H[3,3x4]-3:H[3]-2:H[3x4]-2:H[3x4]-2:H-1:	C[3,6x4]-6:C[6x4]-5:	C[3,6x4]-6:	C[3,6x4](C[3x3,3x4]C[3x3]2C[4x3]2C[6x4]C[6a])(H[3,3x4]C[6x4]H[3])(H[3]H[3,3x4])(H[3x4]C[6x4])2(H)	H[3x4](C[3,6x4]C[3x3,3x4]H[3,3x4]H[3x4]H[3]H)(C[6x4]C[3x3,3x4]H[3,3x4]H[3x4]H)	H(C[3,6x4]C[3x3,3x4]H[3,3x4]H[3x4]2H[3])	C[3,6x4](C[3x3,3x4]C[3x3]2C[4x3]2C[6x4]C[6a])(H[3,3x4]C[6x4]H[3])(H[3]H[3,3x4])(H[3x4]C[6x4])2(H){2|C<3>,4|H<2>,9|H<1>}	H[3x4](C[3,6x4]C[3x3,3x4]H[3,3x4]H[3x4]H[3]H)(C[6x4]C[3x3,3x4]H[3,3x4]H[3x4]H)	H(C[3,6x4]C[3x3,3x4]H[3,3x4]H[3x4]2H[3])	102.7157	9.575	2	102.7157	91.674	2	102.7157	91.674	2	102.7157	91.674	2	102.7157	91.674	2	102.6173	336.687	9
362	802	951	0:SPD6_SP-NON_SP-NON	C[3,7x4]	H[3x4]	H	3:3:3:2:2:1:	6:6:	6:	O[5x4]-3:O[5x4]-3:H[3,3x4]-3:H[3]-2:H[3x4]-2:H-1:	C[3,7x4]-6:C[7x4]-6:	C[3,7x4]-6:	C[3,7x4](O[5x4]C[4,4,6]C[7x4])2(H[3,3x4]C[7x4]H[3])(H[3]H[3,3x4])(H[3x4]C[7x4])(H)	H[3x4](C[3,7x4]H[3,3x4]O[5x4]2H[3]H)(C[7x4]H[3,3x4]O[5x4]2HH)	H(C[3,7x4]H[3,3x4]H[3x4]O[5x4]2H[3])	C[3,7x4](O[5x4]C[4,4,6]C[7x4])2(H[3,3x4]C[7x4]H[3])(H[3]H[3,3x4])(H[3x4]C[7x4])(H){2|C<3>,2|H<1>}	H[3x4](C[3,7x4]H[3,3x4]O[5x4]2H[3]H)(C[7x4]H[3,3x4]O[5x4]2HH)	H(C[3,7x4]H[3,3x4]H[3x4]O[5x4]2H[3])	109.7880	0.000	1	109.7880	0.000	1	109.7880	0.000	1	109.7880	0.000	1	109.7880	0.000	1	102.6173	336.687	9
362	802	951	0:SPD6_SP-NON_SP-NON	C[3x3,4,6]	H[4]	H	7:7:6:3:2:1:	6:2:	6:	C[6x3]-7:C[4x3,4,6]-7:C[3,3,4,4,6]-6:H[3,3]-3:H[4]-2:H-1:	C[3x3,4,6]-6:H[4]-2:	C[3x3,4,6]-6:	C[3x3,4,6](C[6x3]C[3,3,4,4,6]2C[3x3,4,6]C[4x3,4,6]2C[6])(C[4x3,4,6]C[4x3,4,6]C[6x3]H[3,3]H[3]H[4]H)(C[3,3,4,4,6]C[3,3,4,4,6]C[6x3]H[4]2H)(H[3,3]C[4x3,4,6]H[3])(H[4]H[4])(H)	H[4](C[3x3,4,6]C[3,3,4,4,6]C[4x3,4,6]C[6x3]H[3,3]H)(H[4]C[3,3,4,4,6])	H(C[3x3,4,6]C[3,3,4,4,6]C[4x3,4,6]C[6x3]H[3,3]H[4])	C[3x3,4,6](C[6x3]C[3,3,4,4,6]2C[3x3,4,6]C[4x3,4,6]2C[6])(C[4x3,4,6]C[4x3,4,6]C[6x3]H[3,3]H[3]H[4]H)(C[3,3,4,4,6]C[3,3,4,4,6]C[6x3]H[4]2H)(H[3,3]C[4x3,4,6]H[3])(H[4]H[4])(H){1|H<3>,2|C<3>,3|H<1>,5|H<2>}	H[4](C[3x3,4,6]C[3,3,4,4,6]C[4x3,4,6]C[6x3]H[3,3]H)(H[4]C[3,3,4,4,6])	H(C[3x3,4,6]C[3,3,4,4,6]C[4x3,4,6]C[6x3]H[3,3]H[4])	109.4790	0.000	1	109.4790	0.000	1	109.4790	0.000	1	109.4790	0.000	1	109.4790	0.000	1	102.6173	336.687	9
362	802	968	0:SPD6_SP-NON_SP-NON	C[3,4,6]	H[4]	H[3]	6:2:2:2:2:1:	6:5:	6:2:	C[3,4,6]-6:H[4]-2:S[6]-2:H[3]-2:H[3]-2:H-1:	C[3,4,6]-6:C[3,4]-5:	C[3,4,6]-6:H[3]-2:	C[3,4,6](C[3,4,6]C[3,4]H[3]S[6]HH)(H[4]C[3,4])(S[6]C[5,6])(H[3]H[3])2(H)	H[4](C[3,4,6]C[3,4,6]H[3]2S[6]H)(C[3,4]C[3,4,6]H[3]HH)	H[3](C[3,4,6]C[3,4,6]H[3]H[4]S[6]H)(H[3]C[3,4,6])	C[3,4,6](C[3,4,6]C[3,4]H[3]S[6]HH)(H[4]C[3,4])(S[6]C[5,6])(H[3]H[3])2(H){1|C<3>,1|S<2>,2|H<1>}	H[4](C[3,4,6]C[3,4,6]H[3]2S[6]H)(C[3,4]C[3,4,6]H[3]HH)	H[3](C[3,4,6]C[3,4,6]H[3]H[4]S[6]H)(H[3]C[3,4,6])	95.8022	26.229	2	95.8022	687.971	2	95.8022	687.971	2	95.8022	687.971	2	95.8022	687.971	2	106.6257	300.509	5
362	802	968	0:SPD6_SP-NON_SP-NON	C[3,6x4]	H[3x4]	H[3]	7:3:2:2:2:1:	6:5:	6:3:	C[3x3,3x4]-7:H[3,3x4]-3:H[3]-2:H[3x4]-2:H[3x4]-2:H-1:	C[3,6x4]-6:C[6x4]-5:	C[3,6x4]-6:H[3,3x4]-3:	C[3,6x4](C[3x3,3x4]C[3x3]2C[4x3]2C[6x4]C[6a])(H[3,3x4]C[6x4]H[3])(H[3]H[3,3x4])(H[3x4]C[6x4])2(H)	H[3x4](C[3,6x4]C[3x3,3x4]H[3,3x4]H[3x4]H[3]H)(C[6x4]C[3x3,3x4]H[3,3x4]H[3x4]H)	H[3](C[3,6x4]C[3x3,3x4]H[3,3x4]H[3x4]2H)(H[3,3x4]C[3,6x4]C[6x4])	C[3,6x4](C[3x3,3x4]C[3x3]2C[4x3]2C[6x4]C[6a])(H[3,3x4]C[6x4]H[3])(H[3]H[3,3x4])(H[3x4]C[6x4])2(H){2|C<3>,4|H<2>,9|H<1>}	H[3x4](C[3,6x4]C[3x3,3x4]H[3,3x4]H[3x4]H[3]H)(C[6x4]C[3x3,3x4]H[3,3x4]H[3x4]H)	H[3](C[3,6x4]C[3x3,3x4]H[3,3x4]H[3x4]2H)(H[3,3x4]C[3,6x4]C[6x4])	116.1845	9.520	2	116.1845	90.626	2	116.1845	90.626	2	116.1845	90.626	2	116.1845	90.626	2	106.6257	300.509	5
362	802	968	0:SPD6_SP-NON_SP-NON	C[3,7x4]	H[3x4]	H[3]	3:3:3:2:2:1:	6:6:	6:3:	O[5x4]-3:O[5x4]-3:H[3,3x4]-3:H[3]-2:H[3x4]-2:H-1:	C[3,7x4]-6:C[7x4]-6:	C[3,7x4]-6:H[3,3x4]-3:	C[3,7x4](O[5x4]C[4,4,6]C[7x4])2(H[3,3x4]C[7x4]H[3])(H[3]H[3,3x4])(H[3x4]C[7x4])(H)	H[3x4](C[3,7x4]H[3,3x4]O[5x4]2H[3]H)(C[7x4]H[3,3x4]O[5x4]2HH)	H[3](C[3,7x4]H[3,3x4]H[3x4]O[5x4]2H)(H[3,3x4]C[3,7x4]C[7x4])	C[3,7x4](O[5x4]C[4,4,6]C[7x4])2(H[3,3x4]C[7x4]H[3])(H[3]H[3,3x4])(H[3x4]C[7x4])(H){2|C<3>,2|H<1>}	H[3x4](C[3,7x4]H[3,3x4]O[5x4]2H[3]H)(C[7x4]H[3,3x4]O[5x4]2HH)	H[3](C[3,7x4]H[3,3x4]H[3x4]O[5x4]2H)(H[3,3x4]C[3,7x4]C[7x4])	109.1550	0.000	1	109.1550	0.000	1	109.1550	0.000	1	109.1550	0.000	1	109.1550	0.000	1	106.6257	300.509	5
362	846	968	0:SPD6_SP-NON_SP2	C[3,3,4,4]	C[3x4]	H[3]	4:3:3:3:2:4:	6:4:2:	6:3:	C[3x4]-4:C[3x4]-3:O[3,3]-3:O[3]-3:H[3]-2:C-4:	C[3,3,4,4]-6:N[4,4,6]-4:H[4,4]-2:	C[3,3,4,4]-6:O[3,3]-3:	C[3,3,4,4](C[3x4]N[4,4,6]H[4,4]H)(C[3x4]N[4,4,6]H[4,4])(O[3,3]H[3]O[3])(O[3]O[3,3]H)(H[3]O[3,3])(CN[5a]HH)	C[3x4](C[3,3,4,4]C[3x4]O[3,3]H[3]O[3]C)(N[4,4,6]C[3x4]C[6]2)(H[4,4]C[3x4])	H[3](C[3,3,4,4]C[3x4]2O[3,3]O[3]C)(O[3,3]C[3,3,4,4]O[3])	C[3,3,4,4](C[3x4]N[4,4,6]H[4,4]H)(C[3x4]N[4,4,6]H[4,4])(O[3,3]H[3]O[3])(O[3]O[3,3]H)(H[3]O[3,3])(CN[5a]HH){2|C<4>}	C[3x4](C[3,3,4,4]C[3x4]O[3,3]H[3]O[3]C)(N[4,4,6]C[3x4]C[6]2)(H[4,4]C[3x4]){2|C<4>,6|H<1>}	H[3](C[3,3,4,4]C[3x4]2O[3,3]O[3]C)(O[3,3]C[3,3,4,4]O[3])	74.2057	0.000	1	74.2057	0.000	1	74.2057	0.000	1	74.2057	0.000	1	74.2057	0.000	1	74.2057	0.000	1
362	893	951	0:SPD6_SP-NON_SP2	C[3]	O	H	5:2:4:2:1:1:	6:3:	6:	C[3]-5:H[3]-2:C-4:O-2:H-1:H-1:	C[3]-6:C-3:	C[3]-6:	C[3](C[3]H[3]H3)(H[3]C[3])(CH3)(OC)(H)2	O(C[3]C[3]H[3]CHH)(CC[6]O)	H(C[3]C[3]H[3]CHO)	C[3](C[3]H[3]H3)(H[3]C[3])(CH3)(OC)(H)2	O(C[3]C[3]H[3]CHH)(CC[6]O)	H(C[3]C[3]H[3]CHO)	109.4720	0.239	2	109.4720	0.057	2	109.4720	0.057	2	109.4720	0.057	2	109.4720	0.057	2	109.4720	0.057	2
362	893	968	0:SPD6_SP-NON_SP2	C[3]	O	H[3]	5:2:4:2:1:1:	6:3:	6:5:	C[3]-5:H[3]-2:C-4:O-2:H-1:H-1:	C[3]-6:C-3:	C[3]-6:C[3]-5:	C[3](C[3]H[3]H3)(H[3]C[3])(CH3)(OC)(H)2	O(C[3]C[3]H[3]CHH)(CC[6]O)	H[3](C[3]C[3]CHHO)(C[3]C[3]H3)	C[3](C[3]H[3]H3)(H[3]C[3])(CH3)(OC)(H)2	O(C[3]C[3]H[3]CHH)(CC[6]O)	H[3](C[3]C[3]CHHO)(C[3]C[3]H3)	109.4590	0.000	1	109.4590	0.000	1	109.4590	0.000	1	109.4590	0.000	1	109.4590	0.000	1	109.4590	0.000	1
362	897	897	4:SPD6_SP3_SP3	C[3,7x4]	O[5x4]	O[5x4]	3:3:3:2:2:1:	6:6:4:	6:6:4:	O[5x4]-3:O[5x4]-3:H[3,3x4]-3:H[3]-2:H[3x4]-2:H-1:	C[3,7x4]-6:C[7x4]-6:C[4,4,6]-4:	C[3,7x4]-6:C[7x4]-6:C[4,4,6]-4:	C[3,7x4](O[5x4]C[4,4,6]C[7x4])2(H[3,3x4]C[7x4]H[3])(H[3]H[3,3x4])(H[3x4]C[7x4])(H)	O[5x4](C[3,7x4]H[3,3x4]H[3x4]O[5x4]H[3]H)(C[7x4]H[3,3x4]H[3x4]O[5x4]HH)(C[4,4,6]O[5x4]C[6]2)	O[5x4](C[3,7x4]H[3,3x4]H[3x4]O[5x4]H[3]H)(C[7x4]H[3,3x4]H[3x4]O[5x4]HH)(C[4,4,6]O[5x4]C[6]2)	C[3,7x4](O[5x4]C[4,4,6]C[7x4])2(H[3,3x4]C[7x4]H[3])(H[3]H[3,3x4])(H[3x4]C[7x4])(H){2|C<3>,2|H<1>}	O[5x4](C[3,7x4]H[3,3x4]H[3x4]O[5x4]H[3]H)(C[7x4]H[3,3x4]H[3x4]O[5x4]HH)(C[4,4,6]O[5x4]C[6]2){1|H<1>,1|O<2>,2|C<3>}	O[5x4](C[3,7x4]H[3,3x4]H[3x4]O[5x4]H[3]H)(C[7x4]H[3,3x4]H[3x4]O[5x4]HH)(C[4,4,6]O[5x4]C[6]2){1|H<1>,1|O<2>,2|C<3>}	28.8636	0.000	1	28.8636	0.000	1	28.8636	0.000	1	28.8636	0.000	1	28.8636	0.000	1	28.8636	0.000	1
362	897	951	0:SPD6_SP-NON_SP3	C[3,7x4]	O[5x4]	H	3:3:3:2:2:1:	6:6:4:	6:	O[5x4]-3:O[5x4]-3:H[3,3x4]-3:H[3]-2:H[3x4]-2:H-1:	C[3,7x4]-6:C[7x4]-6:C[4,4,6]-4:	C[3,7x4]-6:	C[3,7x4](O[5x4]C[4,4,6]C[7x4])2(H[3,3x4]C[7x4]H[3])(H[3]H[3,3x4])(H[3x4]C[7x4])(H)	O[5x4](C[3,7x4]H[3,3x4]H[3x4]O[5x4]H[3]H)(C[7x4]H[3,3x4]H[3x4]O[5x4]HH)(C[4,4,6]O[5x4]C[6]2)	H(C[3,7x4]H[3,3x4]H[3x4]O[5x4]2H[3])	C[3,7x4](O[5x4]C[4,4,6]C[7x4])2(H[3,3x4]C[7x4]H[3])(H[3]H[3,3x4])(H[3x4]C[7x4])(H){2|C<3>,2|H<1>}	O[5x4](C[3,7x4]H[3,3x4]H[3x4]O[5x4]H[3]H)(C[7x4]H[3,3x4]H[3x4]O[5x4]HH)(C[4,4,6]O[5x4]C[6]2){1|H<1>,1|O<2>,2|C<3>}	H(C[3,7x4]H[3,3x4]H[3x4]O[5x4]2H[3])	95.2545	20.346	2	95.2545	413.940	2	95.2545	413.940	2	95.2545	413.940	2	95.2545	413.940	2	95.2545	413.940	2
362	897	968	0:SPD6_SP-NON_SP3	C[3,7x4]	O[5x4]	H[3]	3:3:3:2:2:1:	6:6:4:	6:3:	O[5x4]-3:O[5x4]-3:H[3,3x4]-3:H[3]-2:H[3x4]-2:H-1:	C[3,7x4]-6:C[7x4]-6:C[4,4,6]-4:	C[3,7x4]-6:H[3,3x4]-3:	C[3,7x4](O[5x4]C[4,4,6]C[7x4])2(H[3,3x4]C[7x4]H[3])(H[3]H[3,3x4])(H[3x4]C[7x4])(H)	O[5x4](C[3,7x4]H[3,3x4]H[3x4]O[5x4]H[3]H)(C[7x4]H[3,3x4]H[3x4]O[5x4]HH)(C[4,4,6]O[5x4]C[6]2)	H[3](C[3,7x4]H[3,3x4]H[3x4]O[5x4]2H)(H[3,3x4]C[3,7x4]C[7x4])	C[3,7x4](O[5x4]C[4,4,6]C[7x4])2(H[3,3x4]C[7x4]H[3])(H[3]H[3,3x4])(H[3x4]C[7x4])(H){2|C<3>,2|H<1>}	O[5x4](C[3,7x4]H[3,3x4]H[3x4]O[5x4]H[3]H)(C[7x4]H[3,3x4]H[3x4]O[5x4]HH)(C[4,4,6]O[5x4]C[6]2){1|H<1>,1|O<2>,2|C<3>}	H[3](C[3,7x4]H[3,3x4]H[3x4]O[5x4]2H)(H[3,3x4]C[3,7x4]C[7x4])	116.2660	10.041	2	116.2660	100.820	2	116.2660	100.820	2	116.2660	100.820	2	116.2660	100.820	2	116.2660	100.820	2
362	899	899	0:SPD6_SP-NON_SP-NON	C[3,3]	C	C	4:3:4:2:1:1:	6:	6:	C[3x3]-4:C[3,3]-3:C[6]-4:C[3]-2:C-1:C-1:	C[3,3]-6:	C[3,3]-6:	C[3,3](C[3x3]C[3,3]C[3]2)(C[3,3]C[3x3]C[3])(C[6]C[6]2H)(C[3]C[3x3])(C)2	C(C[3,3]C[3,3]C[3x3]C[3]C[6]C)	C(C[3,3]C[3,3]C[3x3]C[3]C[6]C)	C[3,3](C[3x3]C[3,3]C[3]2)(C[3,3]C[3x3]C[3])(C[6]C[6]2H)(C[3]C[3x3])(C)2{1|Pd<5>,1|C<3>,1|H<1>,3|C<4>}	C(C[3,3]C[3,3]C[3x3]C[3]C[6]C)	C(C[3,3]C[3,3]C[3x3]C[3]C[6]C)	32.9664	0.000	1	32.9664	0.000	1	32.9664	0.000	1	32.9664	0.000	1	32.9664	0.000	1	32.9664	0.000	1
362	899	902	0:SPD6_SP-NON_SP2	C[3,3]	C	C[3,3]	4:3:4:2:1:1:	6:	6:4:3:	C[3x3]-4:C[3,3]-3:C[6]-4:C[3]-2:C-1:C-1:	C[3,3]-6:	C[3,3]-6:C[3x3]-4:C[3]-3:	C[3,3](C[3x3]C[3,3]C[3]2)(C[3,3]C[3x3]C[3])(C[6]C[6]2H)(C[3]C[3x3])(C)2	C(C[3,3]C[3,3]C[3x3]C[3]C[6]C)	C[3,3](C[3,3]C[3x3]C[3]C[6]CC)(C[3x3]C[3,3]C[3]2)(C[3]C[3x3]C)	C[3,3](C[3x3]C[3,3]C[3]2)(C[3,3]C[3x3]C[3])(C[6]C[6]2H)(C[3]C[3x3])(C)2{1|Pd<5>,1|C<3>,1|H<1>,3|C<4>}	C(C[3,3]C[3,3]C[3x3]C[3]C[6]C)	C[3,3](C[3,3]C[3x3]C[3]C[6]CC)(C[3x3]C[3,3]C[3]2)(C[3]C[3x3]C){1|C<3>,1|C<4>,1|H<1>}	83.0189	23.310	2	83.0189	543.362	2	83.0189	543.362	2	83.0189	543.362	2	83.0189	543.362	2	83.0189	543.362	2
362	902	902	3:SPD6_SP2_SP2	C[6x3]	C[3,3,6]	C[3,3,6]	3:3:3:3:3:3:	6:3:3:	6:3:3:	C[3,3,6]-3:C[3,3,6]-3:C[3,3,6]-3:C[3,3,6]-3:N[3,3,6]-3:N[3,3,6]-3:	C[6x3]-6:C[3,3,6]-3:N[3,3,6]-3:	C[6x3]-6:C[3,3,6]-3:N[3,3,6]-3:	C[6x3](C[3,3,6]C[3,3,6]N[3,3,6])4(N[3,3,6]C[3,3,6]2)2	C[3,3,6](C[6x3]C[3,3,6]3N[3,3,6]2)(C[3,3,6]N[3,3,6]C[6x3])(N[3,3,6]C[3,3,6]C[6x3])	C[3,3,6](C[6x3]C[3,3,6]3N[3,3,6]2)(C[3,3,6]N[3,3,6]C[6x3])(N[3,3,6]C[3,3,6]C[6x3])	C[6x3](C[3,3,6]C[3,3,6]N[3,3,6])4(N[3,3,6]C[3,3,6]2)2	C[3,3,6](C[6x3]C[3,3,6]3N[3,3,6]2)(C[3,3,6]N[3,3,6]C[6x3])(N[3,3,6]C[3,3,6]C[6x3])	C[3,3,6](C[6x3]C[3,3,6]3N[3,3,6]2)(C[3,3,6]N[3,3,6]C[6x3])(N[3,3,6]C[3,3,6]C[6x3])	101.0171	40.964	4	101.0171	1678.031	4	101.0171	1678.031	4	101.0171	1678.031	4	101.0171	1678.031	4	101.0171	1678.031	4
362	902	951	0:SPD6_SP-NON_SP2	C[3x3]	C[3,3]	H	7:4:3:5:1:1:	7:6:5:	6:	C[3x3,4]-7:C[3x3]-4:C[3,3]-3:C[3]-5:H-1:H-1:	C[3x3,4]-7:C[3x3]-6:C[3]-5:	C[3x3]-6:	C[3x3](C[3x3,4]C[3,3]2C[3x3]C[4]2C[6])(C[3x3]C[3x3,4]C[3,3]H[3])(C[3,3]C[3x3,4]C[3])(C[3]C[3,3]CHH)(H)2	C[3,3](C[3x3,4]C[3,3]C[3x3]2C[4]2C[6])(C[3x3]C[3x3,4]C[3x3]C[3]HH)(C[3]C[3x3]CHH)	H(C[3x3]C[3x3,4]C[3,3]C[3x3]C[3]H)	C[3x3](C[3x3,4]C[3,3]2C[3x3]C[4]2C[6])(C[3x3]C[3x3,4]C[3,3]H[3])(C[3,3]C[3x3,4]C[3])(C[3]C[3,3]CHH)(H)2{1|H<2>,2|C<4>,5|H<1>}	C[3,3](C[3x3,4]C[3,3]C[3x3]2C[4]2C[6])(C[3x3]C[3x3,4]C[3x3]C[3]HH)(C[3]C[3x3]CHH){2|C<4>,2|H<2>,5|H<1>}	H(C[3x3]C[3x3,4]C[3,3]C[3x3]C[3]H)	125.2766	51.618	2	125.2766	2664.420	2	125.2766	2664.420	2	125.2766	2664.420	2	125.2766	2664.420	2	125.2766	2664.420	2
362	920	951	0:SPD6_SP-NON_SP3	C[4x3,4,4,5]	O[4x3,4,4]	H	7:5:4:3:2:1:	6:5:7:4:	6:	C[6x3,4,4]-7:C[4x3,4,4,5]-5:O[4x3,4,4]-4:H[3,4,4,5]-3:H[3]-2:H-1:	C[4x3,4,4,5]-6:C[4x3,4,4,5]-5:C[6x3,4,4]-7:C[3,4x4,5]-4:	C[4x3,4,4,5]-6:	C[4x3,4,4,5](C[6x3,4,4]C[4x3,4,4,5]C[3,4x4,5]O[4x3,4,4]H[3,3]H[3]H)(C[4x3,4,4,5]C[6x3,4,4]O[4x3,4,4]C[4,4,5]H[3,3])(O[4x3,4,4]C[4x3,4,4,5]C[3,4x4,5]C[6x3,4,4])(H[3,4,4,5]C[3,4x4,5]H[3])(H[3]H[3,4,4,5])(H)	O[4x3,4,4](C[4x3,4,4,5]C[4x3,4,4,5]C[6x3,4,4]H[3,4,4,5]H[3]H)(C[4x3,4,4,5]C[4x3,4,4,5]C[6x3,4,4]C[4,4,5]H[3,3])(C[6x3,4,4]C[4x3,4,4,5]2C[3,4x4,5]H[3,3]H[3]H)(C[3,4x4,5]C[6x3,4,4]H[3,4,4,5]C[4,4,5])	H(C[4x3,4,4,5]C[4x3,4,4,5]C[6x3,4,4]H[3,4,4,5]O[4x3,4,4]H[3])	C[4x3,4,4,5](C[6x3,4,4]C[4x3,4,4,5]C[3,4x4,5]O[4x3,4,4]H[3,3]H[3]H)(C[4x3,4,4,5]C[6x3,4,4]O[4x3,4,4]C[4,4,5]H[3,3])(O[4x3,4,4]C[4x3,4,4,5]C[3,4x4,5]C[6x3,4,4])(H[3,4,4,5]C[3,4x4,5]H[3])(H[3]H[3,4,4,5])(H){1|O<2>,2|H<1>}	O[4x3,4,4](C[4x3,4,4,5]C[4x3,4,4,5]C[6x3,4,4]H[3,4,4,5]H[3]H)(C[4x3,4,4,5]C[4x3,4,4,5]C[6x3,4,4]C[4,4,5]H[3,3])(C[6x3,4,4]C[4x3,4,4,5]2C[3,4x4,5]H[3,3]H[3]H)(C[3,4x4,5]C[6x3,4,4]H[3,4,4,5]C[4,4,5]){1|O<2>,2|H<1>}	H(C[4x3,4,4,5]C[4x3,4,4,5]C[6x3,4,4]H[3,4,4,5]O[4x3,4,4]H[3])	124.2330	0.000	1	124.2330	0.000	1	124.2330	0.000	1	124.2330	0.000	1	124.2330	0.000	1	124.2330	0.000	1
362	920	968	0:SPD6_SP-NON_SP3	C[4x3,4,4,5]	O[4x3,4,4]	H[3]	7:5:4:3:2:1:	6:5:7:4:	6:3:	C[6x3,4,4]-7:C[4x3,4,4,5]-5:O[4x3,4,4]-4:H[3,4,4,5]-3:H[3]-2:H-1:	C[4x3,4,4,5]-6:C[4x3,4,4,5]-5:C[6x3,4,4]-7:C[3,4x4,5]-4:	C[4x3,4,4,5]-6:H[3,4,4,5]-3:	C[4x3,4,4,5](C[6x3,4,4]C[4x3,4,4,5]C[3,4x4,5]O[4x3,4,4]H[3,3]H[3]H)(C[4x3,4,4,5]C[6x3,4,4]O[4x3,4,4]C[4,4,5]H[3,3])(O[4x3,4,4]C[4x3,4,4,5]C[3,4x4,5]C[6x3,4,4])(H[3,4,4,5]C[3,4x4,5]H[3])(H[3]H[3,4,4,5])(H)	O[4x3,4,4](C[4x3,4,4,5]C[4x3,4,4,5]C[6x3,4,4]H[3,4,4,5]H[3]H)(C[4x3,4,4,5]C[4x3,4,4,5]C[6x3,4,4]C[4,4,5]H[3,3])(C[6x3,4,4]C[4x3,4,4,5]2C[3,4x4,5]H[3,3]H[3]H)(C[3,4x4,5]C[6x3,4,4]H[3,4,4,5]C[4,4,5])	H[3](C[4x3,4,4,5]C[4x3,4,4,5]C[6x3,4,4]H[3,4,4,5]O[4x3,4,4]H)(H[3,4,4,5]C[4x3,4,4,5]C[3,4x4,5])	C[4x3,4,4,5](C[6x3,4,4]C[4x3,4,4,5]C[3,4x4,5]O[4x3,4,4]H[3,3]H[3]H)(C[4x3,4,4,5]C[6x3,4,4]O[4x3,4,4]C[4,4,5]H[3,3])(O[4x3,4,4]C[4x3,4,4,5]C[3,4x4,5]C[6x3,4,4])(H[3,4,4,5]C[3,4x4,5]H[3])(H[3]H[3,4,4,5])(H){1|O<2>,2|H<1>}	O[4x3,4,4](C[4x3,4,4,5]C[4x3,4,4,5]C[6x3,4,4]H[3,4,4,5]H[3]H)(C[4x3,4,4,5]C[4x3,4,4,5]C[6x3,4,4]C[4,4,5]H[3,3])(C[6x3,4,4]C[4x3,4,4,5]2C[3,4x4,5]H[3,3]H[3]H)(C[3,4x4,5]C[6x3,4,4]H[3,4,4,5]C[4,4,5]){1|O<2>,2|H<1>}	H[3](C[4x3,4,4,5]C[4x3,4,4,5]C[6x3,4,4]H[3,4,4,5]O[4x3,4,4]H)(H[3,4,4,5]C[4x3,4,4,5]C[3,4x4,5])	120.8360	0.000	1	120.8360	0.000	1	120.8360	0.000	1	120.8360	0.000	1	120.8360	0.000	1	120.8360	0.000	1
362	951	951	0:SPD6_SP-NON_SP-NON	C[3,3,4,6]	H	H	7:7:7:2:1:1:	6:	6:	N[6x3]-7:C[4x3,4,6]-7:C[4x3,6]-7:H[4]-2:H-1:H-1:	C[3,3,4,6]-6:	C[3,3,4,6]-6:	C[3,3,4,6](N[6x3]C[4x3,4,6]C[3x3,6]C[4x3,6]2C[5x3,6]Ru)(C[4x3,4,6]C[5x3,6]N[6x3]H[3]2H[4]H)(C[4x3,6]C[4x3,6]N[6x3]H[3]2HH)(H[4]H[4])(H)2	H(C[3,3,4,6]C[4x3,4,6]C[4x3,6]N[6x3]H[4]H)	H(C[3,3,4,6]C[4x3,4,6]C[4x3,6]N[6x3]H[4]H)	C[3,3,4,6](N[6x3]C[4x3,4,6]C[3x3,6]C[4x3,6]2C[5x3,6]Ru)(C[4x3,4,6]C[5x3,6]N[6x3]H[3]2H[4]H)(C[4x3,6]C[4x3,6]N[6x3]H[3]2HH)(H[4]H[4])(H)2{1|H<2>,6|H<1>}	H(C[3,3,4,6]C[4x3,4,6]C[4x3,6]N[6x3]H[4]H)	H(C[3,3,4,6]C[4x3,4,6]C[4x3,6]N[6x3]H[4]H)	109.3970	0.000	1	109.3970	0.000	1	109.3970	0.000	1	109.3970	0.000	1	109.3970	0.000	1	103.0897	263.725	16
362	951	951	0:SPD6_SP-NON_SP-NON	C[3,3]	H	H	4:3:2:1:1:1:	6:	6:	C[3,3]-4:N[3]-3:H[3]-2:H-1:H-1:H-1:	C[3,3]-6:	C[3,3]-6:	C[3,3](C[3,3]H[3]N[3]O)(N[3]C[3,3]C)(H[3]C[3,3])(H)3	H(C[3,3]C[3,3]H[3]N[3]HH)	H(C[3,3]C[3,3]H[3]N[3]HH)	C[3,3](C[3,3]H[3]N[3]O)(N[3]C[3,3]C)(H[3]C[3,3])(H)3	H(C[3,3]C[3,3]H[3]N[3]HH)	H(C[3,3]C[3,3]H[3]N[3]HH)	109.6375	0.339	2	109.6375	0.115	2	109.6375	0.115	2	109.6375	0.115	2	107.1580	5.992	6	103.0897	263.725	16
362	951	951	0:SPD6_SP-NON_SP-NON	C[3,3]	H	H	5:8:2:4:1:1:	6:	6:	C[3,3]-5:C[3,3]-8:H[3]-2:C-4:H-1:H-1:	C[3,3]-6:	C[3,3]-6:	C[3,3](C[3,3]C[3,3]H[3]HH)(C[3,3]C[3,3]3H4)(H[3]C[3,3])(CCHH)(H)2	H(C[3,3]C[3,3]2H[3]CH)	H(C[3,3]C[3,3]2H[3]CH)	C[3,3](C[3,3]C[3,3]H[3]HH)(C[3,3]C[3,3]3H4)(H[3]C[3,3])(CCHH)(H)2{1|C<4>,1|H<2>,4|H<1>}	H(C[3,3]C[3,3]2H[3]CH)	H(C[3,3]C[3,3]2H[3]CH)	106.0730	0.000	1	106.0730	0.000	1	106.0730	0.000	1	106.0730	0.000	1	107.1580	5.992	6	103.0897	263.725	16
362	951	951	0:SPD6_SP-NON_SP-NON	C[3,3]	H	H	7:6:6:1:1:1:	6:	6:	C[4x3,4,4]-7:C[3x3]-6:C[3x3]-6:H-1:H-1:H-1:	C[3,3]-6:	C[3,3]-6:	C[3,3](C[4x3,4,4]C[3,3,3x4]C[3,3]C[3x3]2C[3x4]C)(C[3x3]C[3,3,3x4]C[4x3,4,4]H[3]HH)(C[3x3]C[4x3,4,4]C[3,3]H[3]HH)(H)3	H(C[3,3]C[4x3,4,4]C[3x3]2HH)	H(C[3,3]C[4x3,4,4]C[3x3]2HH)	C[3,3](C[4x3,4,4]C[3,3,3x4]C[3,3]C[3x3]2C[3x4]C)(C[3x3]C[3,3,3x4]C[4x3,4,4]H[3]HH)(C[3x3]C[4x3,4,4]C[3,3]H[3]HH)(H)3{2|H<2>,3|H<1>}	H(C[3,3]C[4x3,4,4]C[3x3]2HH)	H(C[3,3]C[4x3,4,4]C[3x3]2HH)	105.8667	2.384	3	105.8667	5.685	3	105.8667	5.685	3	105.8667	5.685	3	107.1580	5.992	6	103.0897	263.725	16
362	951	951	0:SPD6_SP-NON_SP-NON	C[3,4,6]	H	H	6:5:2:2:1:1:	6:	6:	C[3,4,6]-6:C[3,4]-5:H[3]-2:S[6]-2:H-1:H-1:	C[3,4,6]-6:	C[3,4,6]-6:	C[3,4,6](C[3,4,6]H[3]2H[4]S[6]H)(C[3,4]H[3]H[4]HH)(H[3]C[3,4])(S[6]C[5,6])(H)2	H(C[3,4,6]C[3,4,6]C[3,4]H[3]S[6]H)	H(C[3,4,6]C[3,4,6]C[3,4]H[3]S[6]H)	C[3,4,6](C[3,4,6]H[3]2H[4]S[6]H)(C[3,4]H[3]H[4]HH)(H[3]C[3,4])(S[6]C[5,6])(H)2{1|C<3>,1|S<2>}	H(C[3,4,6]C[3,4,6]C[3,4]H[3]S[6]H)	H(C[3,4,6]C[3,4,6]C[3,4]H[3]S[6]H)	43.4162	0.000	1	43.4162	0.000	1	43.4162	0.000	1	43.4162	0.000	1	43.4162	0.000	1	103.0897	263.725	16
362	951	951	0:SPD6_SP-NON_SP-NON	C[3x3]	H	H	6:4:2:2:1:1:	6:	6:	C[3x3]-6:N[3]-4:H[3]-2:H[3]-2:H-1:H-1:	C[3x3]-6:	C[3x3]-6:	C[3x3](C[3x3]H[3]2N[3]HH)(N[3]C[3x3]CC)(H[3]C[3x3])2(H)2	H(C[3x3]C[3x3]H[3]2N[3]H)	H(C[3x3]C[3x3]H[3]2N[3]H)	C[3x3](C[3x3]H[3]2N[3]HH)(N[3]C[3x3]CC)(H[3]C[3x3])2(H)2	H(C[3x3]C[3x3]H[3]2N[3]H)	H(C[3x3]C[3x3]H[3]2N[3]H)	106.1870	3.472	2	106.1870	12.054	2	106.1870	12.054	2	106.1870	12.054	2	106.7093	17.298	8	103.0897	263.725	16
362	951	951	0:SPD6_SP-NON_SP-NON	C[3x3]	H	H	6:5:3:2:1:1:	6:	6:	C[3x3]-6:N[3x3]-5:H[3,3]-3:H[3]-2:H-1:H-1:	C[3x3]-6:	C[3x3]-6:	C[3x3](C[3x3]C[4x3]H[3,3]N[3x3]HH)(N[3x3]C[3,3]C[3x3]C[4x3]C)(H[3,3]C[3x3]H[3])(H[3]H[3,3])(H)2	H(C[3x3]C[3x3]H[3,3]N[3x3]H[3]H)	H(C[3x3]C[3x3]H[3,3]N[3x3]H[3]H)	C[3x3](C[3x3]C[4x3]H[3,3]N[3x3]HH)(N[3x3]C[3,3]C[3x3]C[4x3]C)(H[3,3]C[3x3]H[3])(H[3]H[3,3])(H)2{1|H<2>,1|H<3>,4|H<1>}	H(C[3x3]C[3x3]H[3,3]N[3x3]H[3]H)	H(C[3x3]C[3x3]H[3,3]N[3x3]H[3]H)	109.5370	0.000	1	109.5370	0.000	1	109.5370	0.000	1	109.5370	0.000	1	106.7093	17.298	8	103.0897	263.725	16
362	951	951	0:SPD6_SP-NON_SP-NON	C[3x3]	H	H	7:5:6:2:1:1:	6:	6:	C[4x3,4,4]-7:C[3,3,3x4]-5:C[3,3]-6:H[3]-2:H-1:H-1:	C[3x3]-6:	C[3x3]-6:	C[3x3](C[4x3,4,4]C[3,3,3x4]C[3,3]2C[3x3]C[3x4]C)(C[3,3,3x4]C[4x3,4,4]H[4,4]2H[3])(C[3,3]C[4x3,4,4]C[3x3]H3)(H[3]C[3,3,3x4])(H)2	H(C[3x3]C[3,3,3x4]C[4x3,4,4]C[3,3]H[3]H)	H(C[3x3]C[3,3,3x4]C[4x3,4,4]C[3,3]H[3]H)	C[3x3](C[4x3,4,4]C[3,3,3x4]C[3,3]2C[3x3]C[3x4]C)(C[3,3,3x4]C[4x3,4,4]H[4,4]2H[3])(C[3,3]C[4x3,4,4]C[3x3]H3)(H[3]C[3,3,3x4])(H)2{1|H<2>,5|H<1>}	H(C[3x3]C[3,3,3x4]C[4x3,4,4]C[3,3]H[3]H)	H(C[3x3]C[3,3,3x4]C[4x3,4,4]C[3,3]H[3]H)	105.7900	0.000	1	105.7900	0.000	1	105.7900	0.000	1	105.7900	0.000	1	106.7093	17.298	8	103.0897	263.725	16
362	951	951	0:SPD6_SP-NON_SP-NON	C[3x3]	H	H	7:5:6:3:1:1:	6:	6:	C[4x3]-7:N[3x3]-5:C[3x3]-6:H[3,3]-3:H-1:H-1:	C[3x3]-6:	C[3x3]-6:	C[3x3](C[4x3]C[3,3]H[3,3]N[3x3]H[3]HH)(N[3x3]C[3,3]C[3x3]C[4x3]C)(C[3x3]H[3,3]N[3x3]H[3]HH)(H[3,3]C[3x3]H[3])(H)2	H(C[3x3]C[3x3]C[4x3]H[3,3]N[3x3]H)	H(C[3x3]C[3x3]C[4x3]H[3,3]N[3x3]H)	C[3x3](C[4x3]C[3,3]H[3,3]N[3x3]H[3]HH)(N[3x3]C[3,3]C[3x3]C[4x3]C)(C[3x3]H[3,3]N[3x3]H[3]HH)(H[3,3]C[3x3]H[3])(H)2{2|H<1>}	H(C[3x3]C[3x3]C[4x3]H[3,3]N[3x3]H)	H(C[3x3]C[3x3]C[4x3]H[3,3]N[3x3]H)	109.1250	0.000	1	109.1250	0.000	1	109.1250	0.000	1	109.1250	0.000	1	106.7093	17.298	8	103.0897	263.725	16
362	951	951	0:SPD6_SP-NON_SP-NON	C[3x3]	H	H	7:6:5:2:1:1:	6:	6:	C[4x3,4,4]-7:C[3,3]-6:C[3,3]-5:H[3]-2:H-1:H-1:	C[3x3]-6:	C[3x3]-6:	C[3x3](C[4x3,4,4]C[3,3,3x4]C[3,3]2C[3x3]C[3x4]C)(C[3,3]C[4x3,4,4]C[3x3]H3)(C[3,3]C[4x3,4,4]H[3]HH)(H[3]C[3,3])(H)2	H(C[3x3]C[4x3,4,4]C[3,3]2H[3]H)	H(C[3x3]C[4x3,4,4]C[3,3]2H[3]H)	C[3x3](C[4x3,4,4]C[3,3,3x4]C[3,3]2C[3x3]C[3x4]C)(C[3,3]C[4x3,4,4]C[3x3]H3)(C[3,3]C[4x3,4,4]H[3]HH)(H[3]C[3,3])(H)2{3|H<1>,3|H<2>}	H(C[3x3]C[4x3,4,4]C[3,3]2H[3]H)	H(C[3x3]C[4x3,4,4]C[3,3]2H[3]H)	97.8606	0.000	1	97.8606	0.000	1	97.8606	0.000	1	97.8606	0.000	1	106.7093	17.298	8	103.0897	263.725	16
362	951	951	0:SPD6_SP-NON_SP-NON	C[3x3]	H	H	7:7:2:2:1:1:	6:	6:	C[3x3,3x4]-7:C[4x3]-7:H[3]-2:H[3]-2:H-1:H-1:	C[3x3]-6:	C[3x3]-6:	C[3x3](C[3x3,3x4]C[3,6x4]C[3x3]C[4x3]2C[6x4]C[6a])(C[4x3]C[3x3,3x4]C[4x3]H[3]2HH)(H[3]C[4x3])2(H)2	H(C[3x3]C[3x3,3x4]C[4x3]H[3]2H)	H(C[3x3]C[3x3,3x4]C[4x3]H[3]2H)	C[3x3](C[3x3,3x4]C[3,6x4]C[3x3]C[4x3]2C[6x4]C[6a])(C[4x3]C[3x3,3x4]C[4x3]H[3]2HH)(H[3]C[4x3])2(H)2{1|H<3>,2|C<3>,5|H<2>,6|H<1>}	H(C[3x3]C[3x3,3x4]C[4x3]H[3]2H)	H(C[3x3]C[3x3,3x4]C[4x3]H[3]2H)	109.4940	0.045	2	109.4940	0.002	2	109.4940	0.002	2	109.4940	0.002	2	106.7093	17.298	8	103.0897	263.725	16
362	951	968	0:SPD6_SP-NON_SP-NON	C[3,3]	H	H[3]	4:3:2:1:1:1:	6:	6:4:	C[3,3]-4:N[3]-3:H[3]-2:H-1:H-1:H-1:	C[3,3]-6:	C[3,3]-6:C[3,3]-4:	C[3,3](C[3,3]H[3]N[3]O)(N[3]C[3,3]C)(H[3]C[3,3])(H)3	H(C[3,3]C[3,3]H[3]N[3]HH)	H[3](C[3,3]C[3,3]N[3]H3)(C[3,3]C[3,3]N[3]O)	C[3,3](C[3,3]H[3]N[3]O)(N[3]C[3,3]C)(H[3]C[3,3])(H)3	H(C[3,3]C[3,3]H[3]N[3]HH)	H[3](C[3,3]C[3,3]N[3]H3)(C[3,3]C[3,3]N[3]O)	96.8494	58.266	3	96.8494	3394.975	3	96.8494	3394.975	3	96.8494	3394.975	3	106.3358	1878.364	5	107.6312	271.066	37
362	951	968	0:SPD6_SP-NON_SP-NON	C[3,3]	H	H[3]	5:8:2:4:1:1:	6:	6:5:	C[3,3]-5:C[3,3]-8:H[3]-2:C-4:H-1:H-1:	C[3,3]-6:	C[3,3]-6:C[3,3]-5:	C[3,3](C[3,3]C[3,3]H[3]HH)(C[3,3]C[3,3]3H4)(H[3]C[3,3])(CCHH)(H)2	H(C[3,3]C[3,3]2H[3]CH)	H[3](C[3,3]C[3,3]2CHH)(C[3,3]C[3,3]2HH)	C[3,3](C[3,3]C[3,3]H[3]HH)(C[3,3]C[3,3]3H4)(H[3]C[3,3])(CCHH)(H)2{1|C<4>,1|H<2>,4|H<1>}	H(C[3,3]C[3,3]2H[3]CH)	H[3](C[3,3]C[3,3]2CHH)(C[3,3]C[3,3]2HH)	120.5655	6.969	2	120.5655	48.561	2	120.5655	48.561	2	120.5655	48.561	2	106.3358	1878.364	5	107.6312	271.066	37
362	951	968	0:SPD6_SP-NON_SP-NON	C[3,4,6]	H	H[3]	6:2:2:2:2:1:	6:	6:2:	C[3,4,6]-6:H[4]-2:S[6]-2:H[3]-2:H[3]-2:H-1:	C[3,4,6]-6:	C[3,4,6]-6:H[3]-2:	C[3,4,6](C[3,4,6]C[3,4]H[3]S[6]HH)(H[4]C[3,4])(S[6]C[5,6])(H[3]H[3])2(H)	H(C[3,4,6]C[3,4,6]H[3]2H[4]S[6])	H[3](C[3,4,6]C[3,4,6]H[3]H[4]S[6]H)(H[3]C[3,4,6])	C[3,4,6](C[3,4,6]C[3,4]H[3]S[6]HH)(H[4]C[3,4])(S[6]C[5,6])(H[3]H[3])2(H){1|C<3>,1|S<2>,2|H<1>}	H(C[3,4,6]C[3,4,6]H[3]2H[4]S[6])	H[3](C[3,4,6]C[3,4,6]H[3]H[4]S[6]H)(H[3]C[3,4,6])	119.6935	14.164	2	119.6935	200.620	2	119.6935	200.620	2	119.6935	200.620	2	111.6068	164.129	4	107.6312	271.066	37
362	951	968	0:SPD6_SP-NON_SP-NON	C[3,4,6]	H	H[3]	6:5:2:2:1:1:	6:	6:5:	C[3,4,6]-6:C[3,4]-5:H[3]-2:S[6]-2:H-1:H-1:	C[3,4,6]-6:	C[3,4,6]-6:C[3,4]-5:	C[3,4,6](C[3,4,6]H[3]2H[4]S[6]H)(C[3,4]H[3]H[4]HH)(H[3]C[3,4])(S[6]C[5,6])(H)2	H(C[3,4,6]C[3,4,6]C[3,4]H[3]S[6]H)	H[3](C[3,4,6]C[3,4,6]C[3,4]S[6]HH)(C[3,4]C[3,4,6]H[4]HH)	C[3,4,6](C[3,4,6]H[3]2H[4]S[6]H)(C[3,4]H[3]H[4]HH)(H[3]C[3,4])(S[6]C[5,6])(H)2{1|C<3>,1|S<2>}	H(C[3,4,6]C[3,4,6]C[3,4]H[3]S[6]H)	H[3](C[3,4,6]C[3,4,6]C[3,4]S[6]HH)(C[3,4]C[3,4,6]H[4]HH)	103.5200	5.494	2	103.5200	30.186	2	103.5200	30.186	2	103.5200	30.186	2	111.6068	164.129	4	107.6312	271.066	37
362	951	968	0:SPD6_SP-NON_SP-NON	C[3,6x4]	H	H[3]	7:3:2:2:2:1:	6:	6:3:	C[3x3,3x4]-7:H[3,3x4]-3:H[3]-2:H[3x4]-2:H[3x4]-2:H-1:	C[3,6x4]-6:	C[3,6x4]-6:H[3,3x4]-3:	C[3,6x4](C[3x3,3x4]C[3x3]2C[4x3]2C[6x4]C[6a])(H[3,3x4]C[6x4]H[3])(H[3]H[3,3x4])(H[3x4]C[6x4])2(H)	H(C[3,6x4]C[3x3,3x4]H[3,3x4]H[3x4]2H[3])	H[3](C[3,6x4]C[3x3,3x4]H[3,3x4]H[3x4]2H)(H[3,3x4]C[3,6x4]C[6x4])	C[3,6x4](C[3x3,3x4]C[3x3]2C[4x3]2C[6x4]C[6a])(H[3,3x4]C[6x4]H[3])(H[3]H[3,3x4])(H[3x4]C[6x4])2(H){2|C<3>,4|H<2>,9|H<1>}	H(C[3,6x4]C[3x3,3x4]H[3,3x4]H[3x4]2H[3])	H[3](C[3,6x4]C[3x3,3x4]H[3,3x4]H[3x4]2H)(H[3,3x4]C[3,6x4]C[6x4])	109.4090	0.000	1	109.4090	0.000	1	109.4090	0.000	1	109.4090	0.000	1	109.4090	0.000	1	107.6312	271.066	37
362	951	968	0:SPD6_SP-NON_SP-NON	C[3,7x4]	H	H[3]	3:3:3:2:2:1:	6:	6:3:	O[5x4]-3:O[5x4]-3:H[3,3x4]-3:H[3]-2:H[3x4]-2:H-1:	C[3,7x4]-6:	C[3,7x4]-6:H[3,3x4]-3:	C[3,7x4](O[5x4]C[4,4,6]C[7x4])2(H[3,3x4]C[7x4]H[3])(H[3]H[3,3x4])(H[3x4]C[7x4])(H)	H(C[3,7x4]H[3,3x4]H[3x4]O[5x4]2H[3])	H[3](C[3,7x4]H[3,3x4]H[3x4]O[5x4]2H)(H[3,3x4]C[3,7x4]C[7x4])	C[3,7x4](O[5x4]C[4,4,6]C[7x4])2(H[3,3x4]C[7x4]H[3])(H[3]H[3,3x4])(H[3x4]C[7x4])(H){2|C<3>,2|H<1>}	H(C[3,7x4]H[3,3x4]H[3x4]O[5x4]2H[3])	H[3](C[3,7x4]H[3,3x4]H[3x4]O[5x4]2H)(H[3,3x4]C[3,7x4]C[7x4])	109.8500	0.000	1	109.8500	0.000	1	109.8500	0.000	1	109.8500	0.000	1	109.8500	0.000	1	107.6312	271.066	37
362	951	968	0:SPD6_SP-NON_SP-NON	C[3x3,4,5,5]	H	H[3]	7:6:5:2:2:1:	6:	7:6:	C[3x3,3x4,5,5]-7:C[3,3x4,4x5]-6:S[4,5,5]-5:H[3]-2:H[3]-2:H-1:	C[3x3,4,5,5]-6:	C[3x3,3x4,5,5]-7:C[3x3,4,5,5]-6:	C[3x3,4,5,5](C[3x3,3x4,5,5]C[3,3x4,4x5]C[4x4,5,5]C[4,5,5]H[3]2H)(C[3,3x4,4x5]C[3x3,3x4,5,5]C[4,5,5]H[4,4,5]2H)(S[4,5,5]C[4x4,5,5]C[5]OO)(H[3]C[3x3,3x4,5,5])2(H)	H(C[3x3,4,5,5]C[3x3,3x4,5,5]C[3,3x4,4x5]S[4,5,5]H[3]2)	H[3](C[3x3,3x4,5,5]C[3,3x4,4x5]C[3x3,4,5,5]C[4x4,5,5]C[4,5,5]H[3]H)(C[3x3,4,5,5]C[3x3,3x4,5,5]C[3,3x4,4x5]S[4,5,5]H[3]H)	C[3x3,4,5,5](C[3x3,3x4,5,5]C[3,3x4,4x5]C[4x4,5,5]C[4,5,5]H[3]2H)(C[3,3x4,4x5]C[3x3,3x4,5,5]C[4,5,5]H[4,4,5]2H)(S[4,5,5]C[4x4,5,5]C[5]OO)(H[3]C[3x3,3x4,5,5])2(H){2|C<4>,2|H<2>,6|H<1>}	H(C[3x3,4,5,5]C[3x3,3x4,5,5]C[3,3x4,4x5]S[4,5,5]H[3]2)	H[3](C[3x3,3x4,5,5]C[3,3x4,4x5]C[3x3,4,5,5]C[4x4,5,5]C[4,5,5]H[3]H)(C[3x3,4,5,5]C[3x3,3x4,5,5]C[3,3x4,4x5]S[4,5,5]H[3]H)	85.1145	0.000	1	85.1145	0.000	1	85.1145	0.000	1	85.1145	0.000	1	85.1145	0.000	1	107.6312	271.066	37
362	951	968	0:SPD6_SP-NON_SP-NON	C[3x3]	H	H[3]	6:4:2:2:1:1:	6:	6:6:	C[3x3]-6:N[3]-4:H[3]-2:H[3]-2:H-1:H-1:	C[3x3]-6:	C[3x3]-6:C[3x3]-6:	C[3x3](C[3x3]H[3]2N[3]HH)(N[3]C[3x3]CC)(H[3]C[3x3])2(H)2	H(C[3x3]C[3x3]H[3]2N[3]H)	H[3](C[3x3]C[3x3]H[3]N[3]HH)2	C[3x3](C[3x3]H[3]2N[3]HH)(N[3]C[3x3]CC)(H[3]C[3x3])2(H)2	H(C[3x3]C[3x3]H[3]2N[3]H)	H[3](C[3x3]C[3x3]H[3]N[3]HH)2	104.3870	4.724	8	104.3870	22.314	8	104.3870	22.314	8	104.3870	22.314	8	108.0859	50.329	24	107.6312	271.066	37
362	951	968	0:SPD6_SP-NON_SP-NON	C[3x3]	H	H[3]	6:4:2:2:4:1:	6:	6:6:	C[3x3]-6:C[3]-4:H[3]-2:H[3]-2:C-4:H-1:	C[3x3]-6:	C[3x3]-6:C[3x3]-6:	C[3x3](C[3x3]C[3]H[3]2CH)(C[3]C[3x3]HH)(H[3]C[3x3])2(CH3)(H)	H(C[3x3]C[3x3]C[3]H[3]2C)	H[3](C[3x3]C[3x3]C[3]H[3]CH)2	C[3x3](C[3x3]C[3]H[3]2CH)(C[3]C[3x3]HH)(H[3]C[3x3])2(CH3)(H)	H(C[3x3]C[3x3]C[3]H[3]2C)	H[3](C[3x3]C[3x3]C[3]H[3]CH)2	112.4183	9.523	4	112.4183	90.687	4	112.4183	90.687	4	112.4183	90.687	4	108.0859	50.329	24	107.6312	271.066	37
362	951	968	0:SPD6_SP-NON_SP-NON	C[3x3]	H	H[3]	6:5:3:2:1:1:	6:	6:3:	C[3x3]-6:N[3x3]-5:H[3,3]-3:H[3]-2:H-1:H-1:	C[3x3]-6:	C[3x3]-6:H[3,3]-3:	C[3x3](C[3x3]C[4x3]H[3,3]N[3x3]HH)(N[3x3]C[3,3]C[3x3]C[4x3]C)(H[3,3]C[3x3]H[3])(H[3]H[3,3])(H)2	H(C[3x3]C[3x3]H[3,3]N[3x3]H[3]H)	H[3](C[3x3]C[3x3]H[3,3]N[3x3]HH)(H[3,3]C[3x3]2)	C[3x3](C[3x3]C[4x3]H[3,3]N[3x3]HH)(N[3x3]C[3,3]C[3x3]C[4x3]C)(H[3,3]C[3x3]H[3])(H[3]H[3,3])(H)2{1|H<2>,1|H<3>,4|H<1>}	H(C[3x3]C[3x3]H[3,3]N[3x3]H[3]H)	H[3](C[3x3]C[3x3]H[3,3]N[3x3]HH)(H[3,3]C[3x3]2)	109.3980	0.064	2	109.3980	0.004	2	109.3980	0.004	2	109.3980	0.004	2	108.0859	50.329	24	107.6312	271.066	37
362	951	968	0:SPD6_SP-NON_SP-NON	C[3x3]	H	H[3]	7:5:6:2:1:1:	6:	6:5:	C[4x3,4,4]-7:C[3,3,3x4]-5:C[3,3]-6:H[3]-2:H-1:H-1:	C[3x3]-6:	C[3x3]-6:C[3,3,3x4]-5:	C[3x3](C[4x3,4,4]C[3,3,3x4]C[3,3]2C[3x3]C[3x4]C)(C[3,3,3x4]C[4x3,4,4]H[4,4]2H[3])(C[3,3]C[4x3,4,4]C[3x3]H3)(H[3]C[3,3,3x4])(H)2	H(C[3x3]C[3,3,3x4]C[4x3,4,4]C[3,3]H[3]H)	H[3](C[3x3]C[3,3,3x4]C[4x3,4,4]C[3,3]HH)(C[3,3,3x4]C[4x3,4,4]C[3x3]H[4,4]2)	C[3x3](C[4x3,4,4]C[3,3,3x4]C[3,3]2C[3x3]C[3x4]C)(C[3,3,3x4]C[4x3,4,4]H[4,4]2H[3])(C[3,3]C[4x3,4,4]C[3x3]H3)(H[3]C[3,3,3x4])(H)2{1|H<2>,5|H<1>}	H(C[3x3]C[3,3,3x4]C[4x3,4,4]C[3,3]H[3]H)	H[3](C[3x3]C[3,3,3x4]C[4x3,4,4]C[3,3]HH)(C[3,3,3x4]C[4x3,4,4]C[3x3]H[4,4]2)	109.5240	1.409	2	109.5240	1.984	2	109.5240	1.984	2	109.5240	1.984	2	108.0859	50.329	24	107.6312	271.066	37
362	951	968	0:SPD6_SP-NON_SP-NON	C[3x3]	H	H[3]	7:6:5:2:1:1:	6:	6:5:	C[4x3,4,4]-7:C[3,3]-6:C[3,3]-5:H[3]-2:H-1:H-1:	C[3x3]-6:	C[3x3]-6:C[3,3]-5:	C[3x3](C[4x3,4,4]C[3,3,3x4]C[3,3]2C[3x3]C[3x4]C)(C[3,3]C[4x3,4,4]C[3x3]H3)(C[3,3]C[4x3,4,4]H[3]HH)(H[3]C[3,3])(H)2	H(C[3x3]C[4x3,4,4]C[3,3]2H[3]H)	H[3](C[3x3]C[4x3,4,4]C[3,3]2HH)(C[3,3]C[4x3,4,4]C[3x3]HH)	C[3x3](C[4x3,4,4]C[3,3,3x4]C[3,3]2C[3x3]C[3x4]C)(C[3,3]C[4x3,4,4]C[3x3]H3)(C[3,3]C[4x3,4,4]H[3]HH)(H[3]C[3,3])(H)2{3|H<1>,3|H<2>}	H(C[3x3]C[4x3,4,4]C[3,3]2H[3]H)	H[3](C[3x3]C[4x3,4,4]C[3,3]2HH)(C[3,3]C[4x3,4,4]C[3x3]HH)	106.7835	1.938	2	106.7835	3.757	2	106.7835	3.757	2	106.7835	3.757	2	108.0859	50.329	24	107.6312	271.066	37
362	951	968	0:SPD6_SP-NON_SP-NON	C[3x3]	H	H[3]	7:7:2:2:1:1:	6:	7:6:	C[3x3,3x4]-7:C[4x3]-7:H[3]-2:H[3]-2:H-1:H-1:	C[3x3]-6:	C[4x3]-7:C[3x3]-6:	C[3x3](C[3x3,3x4]C[3,6x4]C[3x3]C[4x3]2C[6x4]C[6a])(C[4x3]C[3x3,3x4]C[4x3]H[3]2HH)(H[3]C[4x3])2(H)2	H(C[3x3]C[3x3,3x4]C[4x3]H[3]2H)	H[3](C[4x3]C[3x3,3x4]C[3x3]C[4x3]H[3]HH)(C[3x3]C[3x3,3x4]C[4x3]H[3]HH)	C[3x3](C[3x3,3x4]C[3,6x4]C[3x3]C[4x3]2C[6x4]C[6a])(C[4x3]C[3x3,3x4]C[4x3]H[3]2HH)(H[3]C[4x3])2(H)2{1|H<3>,2|C<3>,5|H<2>,6|H<1>}	H(C[3x3]C[3x3,3x4]C[4x3]H[3]2H)	H[3](C[4x3]C[3x3,3x4]C[3x3]C[4x3]H[3]HH)(C[3x3]C[3x3,3x4]C[4x3]H[3]HH)	109.6470	10.134	6	109.6470	102.690	6	109.6470	102.690	6	109.6470	102.690	6	108.0859	50.329	24	107.6312	271.066	37
362	951	968	0:SPD6_SP-NON_SP-NON	C[4x3,4,4,5]	H	H[3]	7:5:4:3:2:1:	6:	6:3:	C[6x3,4,4]-7:C[4x3,4,4,5]-5:O[4x3,4,4]-4:H[3,4,4,5]-3:H[3]-2:H-1:	C[4x3,4,4,5]-6:	C[4x3,4,4,5]-6:H[3,4,4,5]-3:	C[4x3,4,4,5](C[6x3,4,4]C[4x3,4,4,5]C[3,4x4,5]O[4x3,4,4]H[3,3]H[3]H)(C[4x3,4,4,5]C[6x3,4,4]O[4x3,4,4]C[4,4,5]H[3,3])(O[4x3,4,4]C[4x3,4,4,5]C[3,4x4,5]C[6x3,4,4])(H[3,4,4,5]C[3,4x4,5]H[3])(H[3]H[3,4,4,5])(H)	H(C[4x3,4,4,5]C[4x3,4,4,5]C[6x3,4,4]H[3,4,4,5]O[4x3,4,4]H[3])	H[3](C[4x3,4,4,5]C[4x3,4,4,5]C[6x3,4,4]H[3,4,4,5]O[4x3,4,4]H)(H[3,4,4,5]C[4x3,4,4,5]C[3,4x4,5])	C[4x3,4,4,5](C[6x3,4,4]C[4x3,4,4,5]C[3,4x4,5]O[4x3,4,4]H[3,3]H[3]H)(C[4x3,4,4,5]C[6x3,4,4]O[4x3,4,4]C[4,4,5]H[3,3])(O[4x3,4,4]C[4x3,4,4,5]C[3,4x4,5]C[6x3,4,4])(H[3,4,4,5]C[3,4x4,5]H[3])(H[3]H[3,4,4,5])(H){1|O<2>,2|H<1>}	H(C[4x3,4,4,5]C[4x3,4,4,5]C[6x3,4,4]H[3,4,4,5]O[4x3,4,4]H[3])	H[3](C[4x3,4,4,5]C[4x3,4,4,5]C[6x3,4,4]H[3,4,4,5]O[4x3,4,4]H)(H[3,4,4,5]C[4x3,4,4,5]C[3,4x4,5])	105.8110	0.000	1	105.8110	0.000	1	105.8110	0.000	1	105.8110	0.000	1	105.8110	0.000	1	107.6312	271.066	37
362	968	968	0:SPD6_SP-NON_SP-NON	C[3,4,6]	H[3]	H[3]	6:2:2:2:2:1:	6:2:	6:2:	C[3,4,6]-6:H[4]-2:S[6]-2:H[3]-2:H[3]-2:H-1:	C[3,4,6]-6:H[3]-2:	C[3,4,6]-6:H[3]-2:	C[3,4,6](C[3,4,6]C[3,4]H[3]S[6]HH)(H[4]C[3,4])(S[6]C[5,6])(H[3]H[3])2(H)	H[3](C[3,4,6]C[3,4,6]H[3]H[4]S[6]H)(H[3]C[3,4,6])	H[3](C[3,4,6]C[3,4,6]H[3]H[4]S[6]H)(H[3]C[3,4,6])	C[3,4,6](C[3,4,6]C[3,4]H[3]S[6]HH)(H[4]C[3,4])(S[6]C[5,6])(H[3]H[3])2(H){1|C<3>,1|S<2>,2|H<1>}	H[3](C[3,4,6]C[3,4,6]H[3]H[4]S[6]H)(H[3]C[3,4,6])	H[3](C[3,4,6]C[3,4,6]H[3]H[4]S[6]H)(H[3]C[3,4,6])	37.0933	0.000	1	37.0933	0.000	1	37.0933	0.000	1	37.0933	0.000	1	37.0933	0.000	1	16.2845	135.372	8
362	968	968	0:SPD6_SP-NON_SP-NON	C[3x3,4,5,5]	H[3]	H[3]	7:6:5:2:2:1:	7:6:	7:6:	C[3x3,3x4,5,5]-7:C[3,3x4,4x5]-6:S[4,5,5]-5:H[3]-2:H[3]-2:H-1:	C[3x3,3x4,5,5]-7:C[3x3,4,5,5]-6:	C[3x3,3x4,5,5]-7:C[3x3,4,5,5]-6:	C[3x3,4,5,5](C[3x3,3x4,5,5]C[3,3x4,4x5]C[4x4,5,5]C[4,5,5]H[3]2H)(C[3,3x4,4x5]C[3x3,3x4,5,5]C[4,5,5]H[4,4,5]2H)(S[4,5,5]C[4x4,5,5]C[5]OO)(H[3]C[3x3,3x4,5,5])2(H)	H[3](C[3x3,3x4,5,5]C[3,3x4,4x5]C[3x3,4,5,5]C[4x4,5,5]C[4,5,5]H[3]H)(C[3x3,4,5,5]C[3x3,3x4,5,5]C[3,3x4,4x5]S[4,5,5]H[3]H)	H[3](C[3x3,3x4,5,5]C[3,3x4,4x5]C[3x3,4,5,5]C[4x4,5,5]C[4,5,5]H[3]H)(C[3x3,4,5,5]C[3x3,3x4,5,5]C[3,3x4,4x5]S[4,5,5]H[3]H)	C[3x3,4,5,5](C[3x3,3x4,5,5]C[3,3x4,4x5]C[4x4,5,5]C[4,5,5]H[3]2H)(C[3,3x4,4x5]C[3x3,3x4,5,5]C[4,5,5]H[4,4,5]2H)(S[4,5,5]C[4x4,5,5]C[5]OO)(H[3]C[3x3,3x4,5,5])2(H){2|C<4>,2|H<2>,6|H<1>}	H[3](C[3x3,3x4,5,5]C[3,3x4,4x5]C[3x3,4,5,5]C[4x4,5,5]C[4,5,5]H[3]H)(C[3x3,4,5,5]C[3x3,3x4,5,5]C[3,3x4,4x5]S[4,5,5]H[3]H)	H[3](C[3x3,3x4,5,5]C[3,3x4,4x5]C[3x3,4,5,5]C[4x4,5,5]C[4,5,5]H[3]H)(C[3x3,4,5,5]C[3x3,3x4,5,5]C[3,3x4,4x5]S[4,5,5]H[3]H)	24.6829	0.000	1	24.6829	0.000	1	24.6829	0.000	1	24.6829	0.000	1	24.6829	0.000	1	16.2845	135.372	8
362	968	968	0:SPD6_SP-NON_SP-NON	C[3x3]	H[3]	H[3]	6:4:2:2:1:1:	6:6:	6:6:	C[3x3]-6:N[3]-4:H[3]-2:H[3]-2:H-1:H-1:	C[3x3]-6:C[3x3]-6:	C[3x3]-6:C[3x3]-6:	C[3x3](C[3x3]H[3]2N[3]HH)(N[3]C[3x3]CC)(H[3]C[3x3])2(H)2	H[3](C[3x3]C[3x3]H[3]N[3]HH)2	H[3](C[3x3]C[3x3]H[3]N[3]HH)2	C[3x3](C[3x3]H[3]2N[3]HH)(N[3]C[3x3]CC)(H[3]C[3x3])2(H)2	H[3](C[3x3]C[3x3]H[3]N[3]HH)2	H[3](C[3x3]C[3x3]H[3]N[3]HH)2	4.3803	0.956	2	4.3803	0.914	2	4.3803	0.914	2	4.3803	0.914	2	11.4166	60.378	6	16.2845	135.372	8
362	968	968	0:SPD6_SP-NON_SP-NON	C[3x3]	H[3]	H[3]	6:4:2:2:4:1:	6:6:	6:6:	C[3x3]-6:C[3]-4:H[3]-2:H[3]-2:C-4:H-1:	C[3x3]-6:C[3x3]-6:	C[3x3]-6:C[3x3]-6:	C[3x3](C[3x3]C[3]H[3]2CH)(C[3]C[3x3]HH)(H[3]C[3x3])2(CH3)(H)	H[3](C[3x3]C[3x3]C[3]H[3]CH)2	H[3](C[3x3]C[3x3]C[3]H[3]CH)2	C[3x3](C[3x3]C[3]H[3]2CH)(C[3]C[3x3]HH)(H[3]C[3x3])2(CH3)(H)	H[3](C[3x3]C[3x3]C[3]H[3]CH)2	H[3](C[3x3]C[3x3]C[3]H[3]CH)2	18.5763	2.299	2	18.5763	5.287	2	18.5763	5.287	2	18.5763	5.287	2	11.4166	60.378	6	16.2845	135.372	8
362	968	968	0:SPD6_SP-NON_SP-NON	C[3x3]	H[3]	H[3]	7:7:2:2:1:1:	7:6:	7:6:	C[3x3,3x4]-7:C[4x3]-7:H[3]-2:H[3]-2:H-1:H-1:	C[4x3]-7:C[3x3]-6:	C[4x3]-7:C[3x3]-6:	C[3x3](C[3x3,3x4]C[3,6x4]C[3x3]C[4x3]2C[6x4]C[6a])(C[4x3]C[3x3,3x4]C[4x3]H[3]2HH)(H[3]C[4x3])2(H)2	H[3](C[4x3]C[3x3,3x4]C[3x3]C[4x3]H[3]HH)(C[3x3]C[3x3,3x4]C[4x3]H[3]HH)	H[3](C[4x3]C[3x3,3x4]C[3x3]C[4x3]H[3]HH)(C[3x3]C[3x3,3x4]C[4x3]H[3]HH)	C[3x3](C[3x3,3x4]C[3,6x4]C[3x3]C[4x3]2C[6x4]C[6a])(C[4x3]C[3x3,3x4]C[4x3]H[3]2HH)(H[3]C[4x3])2(H)2{1|H<3>,2|C<3>,5|H<2>,6|H<1>}	H[3](C[4x3]C[3x3,3x4]C[3x3]C[4x3]H[3]HH)(C[3x3]C[3x3,3x4]C[4x3]H[3]HH)	H[3](C[4x3]C[3x3,3x4]C[3x3]C[4x3]H[3]HH)(C[3x3]C[3x3,3x4]C[4x3]H[3]HH)	11.2934	9.702	2	11.2934	94.120	2	11.2934	94.120	2	11.2934	94.120	2	11.4166	60.378	6	16.2845	135.372	8
366	138	138	0:SPD5_SP3_SP3	P[3,3]	N[3,3]	N[3]	10:3:3:1:1:	10:8:5:	10:5:4:	Nb[6x3]-10:N[3,3]-3:N[3]-3:Cl-1:Cl-1:	Nb[6x3]-10:Nb[4x3]-8:P[3,3]-5:	Nb[6x3]-10:P[3,3]-5:Si-4:	P[3,3](Nb[6x3]Nb[4x3]N[3,3]2P[3,3]N[3]2Cl3)(N[3,3]Nb[4x3]Nb[6x3])(N[3]Nb[6x3]Si)(Cl)2	N[3,3](Nb[6x3]Nb[4x3]N[3,3]P[3,3]2N[3]2Cl3)(Nb[4x3]Nb[6x3]N[3,3]P[3,3]N[3]2Cl2)(P[3,3]Nb[6x3]N[3]Cl2)	N[3](Nb[6x3]Nb[4x3]N[3,3]2P[3,3]2N[3]Cl3)(P[3,3]Nb[6x3]N[3,3]Cl2)(SiC3)	P[3,3](Nb[6x3]Nb[4x3]N[3,3]2P[3,3]N[3]2Cl3)(N[3,3]Nb[4x3]Nb[6x3])(N[3]Nb[6x3]Si)(Cl)2{1|Si<4>,4|Cl<1>,1|P<5>,2|N<3>}	N[3,3](Nb[6x3]Nb[4x3]N[3,3]P[3,3]2N[3]2Cl3)(Nb[4x3]Nb[6x3]N[3,3]P[3,3]N[3]2Cl2)(P[3,3]Nb[6x3]N[3]Cl2){4|Cl<1>,4|Si<4>}	N[3](Nb[6x3]Nb[4x3]N[3,3]2P[3,3]2N[3]Cl3)(P[3,3]Nb[6x3]N[3,3]Cl2)(SiC3){1|Si<4>,4|Cl<1>,1|P<5>,2|N<3>}	102.3255	0.995	2	102.3255	0.990	2	102.3255	0.990	2	102.3255	0.990	2	102.3255	0.990	2	102.8270	0.904	5
366	138	138	0:SPD5_SP3_SP3	P[3,3]	N[3]	N[3]	7:3:3:1:1:	7:5:4:	7:5:4:	Nb[3,3,6]-7:N[3]-3:N[3]-3:Cl-1:Cl-1:	Nb[3,3,6]-7:P[3,3]-5:Si-4:	Nb[3,3,6]-7:P[3,3]-5:Si-4:	P[3,3](Nb[3,3,6]Cl[6]N[3]2N[6]Cl2)(N[3]Nb[3,3,6]Si)2(Cl)2	N[3](Nb[3,3,6]P[3,3]Cl[6]N[3]N[6]Cl2)(P[3,3]Nb[3,3,6]N[3]Cl2)(SiC3)	N[3](Nb[3,3,6]P[3,3]Cl[6]N[3]N[6]Cl2)(P[3,3]Nb[3,3,6]N[3]Cl2)(SiC3)	P[3,3](Nb[3,3,6]Cl[6]N[3]2N[6]Cl2)(N[3]Nb[3,3,6]Si)2(Cl)2{1|Nb<7>,1|P<4>}	N[3](Nb[3,3,6]P[3,3]Cl[6]N[3]N[6]Cl2)(P[3,3]Nb[3,3,6]N[3]Cl2)(SiC3){1|Nb<7>,1|Si<4>,1|P<4>}	N[3](Nb[3,3,6]P[3,3]Cl[6]N[3]N[6]Cl2)(P[3,3]Nb[3,3,6]N[3]Cl2)(SiC3){1|Nb<7>,1|Si<4>,1|P<4>}	103.6150	0.000	1	103.6150	0.000	1	103.6150	0.000	1	102.8450	1.186	2	103.1613	0.893	3	102.8270	0.904	5
366	138	138	0:SPD5_SP3_SP3	P[3,3]	N[3]	N[3]	7:3:3:1:1:	7:5:4:	7:5:4:	Nb[3,3]-7:N[3]-3:N[3]-3:Cl-1:Cl-1:	Nb[3,3]-7:P[3,3]-5:Si-4:	Nb[3,3]-7:P[3,3]-5:Si-4:	P[3,3](Nb[3,3]N[3]2Cl4)(N[3]Nb[3,3]Si)2(Cl)2	N[3](Nb[3,3]P[3,3]N[3]Cl4)(P[3,3]Nb[3,3]N[3]Cl2)(SiC3)	N[3](Nb[3,3]P[3,3]N[3]Cl4)(P[3,3]Nb[3,3]N[3]Cl2)(SiC3)	P[3,3](Nb[3,3]N[3]2Cl4)(N[3]Nb[3,3]Si)2(Cl)2	N[3](Nb[3,3]P[3,3]N[3]Cl4)(P[3,3]Nb[3,3]N[3]Cl2)(SiC3){1|Si<4>}	N[3](Nb[3,3]P[3,3]N[3]Cl4)(P[3,3]Nb[3,3]N[3]Cl2)(SiC3){1|Si<4>}	102.0750	0.000	1	102.0750	0.000	1	102.0750	0.000	1	102.8450	1.186	2	103.1613	0.893	3	102.8270	0.904	5
366	138	138	0:SPD5_SP3_SP3	P[3,3]	N[3]	N[3]	8:3:3:1:1:	8:5:4:	8:5:4:	Nb[4x3]-8:N[3]-3:N[3]-3:Cl-1:Cl-1:	Nb[4x3]-8:P[3,3]-5:Si-4:	Nb[4x3]-8:P[3,3]-5:Si-4:	P[3,3](Nb[4x3]Nb[6x3]N[3,3]2N[3]2Cl2)(N[3]Nb[4x3]Si)2(Cl)2	N[3](Nb[4x3]Nb[6x3]N[3,3]2P[3,3]N[3]Cl2)(P[3,3]Nb[4x3]N[3]Cl2)(SiC3)	N[3](Nb[4x3]Nb[6x3]N[3,3]2P[3,3]N[3]Cl2)(P[3,3]Nb[4x3]N[3]Cl2)(SiC3)	P[3,3](Nb[4x3]Nb[6x3]N[3,3]2N[3]2Cl2)(N[3]Nb[4x3]Si)2(Cl)2{3|Cl<1>,2|N<3>,2|P<5>}	N[3](Nb[4x3]Nb[6x3]N[3,3]2P[3,3]N[3]Cl2)(P[3,3]Nb[4x3]N[3]Cl2)(SiC3){1|Si<4>,3|Cl<1>,2|N<3>,2|P<5>}	N[3](Nb[4x3]Nb[6x3]N[3,3]2P[3,3]N[3]Cl2)(P[3,3]Nb[4x3]N[3]Cl2)(SiC3){1|Si<4>,3|Cl<1>,2|N<3>,2|P<5>}	103.7940	0.000	1	103.7940	0.000	1	103.7940	0.000	1	103.7940	0.000	1	103.1613	0.893	3	102.8270	0.904	5
366	138	790	0:SPD5_SP-NON_SP3	P[3,3]	N[3,3]	Cl	10:3:3:1:1:	10:8:5:	5:	Nb[6x3]-10:N[3,3]-3:N[3]-3:Cl-1:Cl-1:	Nb[6x3]-10:Nb[4x3]-8:P[3,3]-5:	P[3,3]-5:	P[3,3](Nb[6x3]Nb[4x3]N[3,3]2P[3,3]N[3]2Cl3)(N[3,3]Nb[4x3]Nb[6x3])(N[3]Nb[6x3]Si)(Cl)2	N[3,3](Nb[6x3]Nb[4x3]N[3,3]P[3,3]2N[3]2Cl3)(Nb[4x3]Nb[6x3]N[3,3]P[3,3]N[3]2Cl2)(P[3,3]Nb[6x3]N[3]Cl2)	Cl(P[3,3]Nb[6x3]N[3,3]N[3]Cl)	P[3,3](Nb[6x3]Nb[4x3]N[3,3]2P[3,3]N[3]2Cl3)(N[3,3]Nb[4x3]Nb[6x3])(N[3]Nb[6x3]Si)(Cl)2{1|Si<4>,4|Cl<1>,1|P<5>,2|N<3>}	N[3,3](Nb[6x3]Nb[4x3]N[3,3]P[3,3]2N[3]2Cl3)(Nb[4x3]Nb[6x3]N[3,3]P[3,3]N[3]2Cl2)(P[3,3]Nb[6x3]N[3]Cl2){4|Cl<1>,4|Si<4>}	Cl(P[3,3]Nb[6x3]N[3,3]N[3]Cl)	111.1668	0.432	4	111.1668	0.187	4	111.1668	0.187	4	111.1668	0.187	4	111.1668	0.187	4	113.1169	2.645	20
366	138	790	0:SPD5_SP-NON_SP3	P[3,3]	N[3]	Cl	10:3:3:1:1:	10:5:4:	5:	Nb[6x3]-10:N[3,3]-3:N[3]-3:Cl-1:Cl-1:	Nb[6x3]-10:P[3,3]-5:Si-4:	P[3,3]-5:	P[3,3](Nb[6x3]Nb[4x3]N[3,3]2P[3,3]N[3]2Cl3)(N[3,3]Nb[4x3]Nb[6x3])(N[3]Nb[6x3]Si)(Cl)2	N[3](Nb[6x3]Nb[4x3]N[3,3]2P[3,3]2N[3]Cl3)(P[3,3]Nb[6x3]N[3,3]Cl2)(SiC3)	Cl(P[3,3]Nb[6x3]N[3,3]N[3]Cl)	P[3,3](Nb[6x3]Nb[4x3]N[3,3]2P[3,3]N[3]2Cl3)(N[3,3]Nb[4x3]Nb[6x3])(N[3]Nb[6x3]Si)(Cl)2{1|Si<4>,4|Cl<1>,1|P<5>,2|N<3>}	N[3](Nb[6x3]Nb[4x3]N[3,3]2P[3,3]2N[3]Cl3)(P[3,3]Nb[6x3]N[3,3]Cl2)(SiC3){1|Si<4>,4|Cl<1>,1|P<5>,2|N<3>}	Cl(P[3,3]Nb[6x3]N[3,3]N[3]Cl)	115.0400	0.100	4	115.0400	0.010	4	115.0400	0.010	4	115.0400	0.010	4	113.6044	2.045	16	113.1169	2.645	20
366	138	790	0:SPD5_SP-NON_SP3	P[3,3]	N[3]	Cl	7:3:3:1:1:	7:5:4:	5:	Nb[3,3,6]-7:N[3]-3:N[3]-3:Cl-1:Cl-1:	Nb[3,3,6]-7:P[3,3]-5:Si-4:	P[3,3]-5:	P[3,3](Nb[3,3,6]Cl[6]N[3]2N[6]Cl2)(N[3]Nb[3,3,6]Si)2(Cl)2	N[3](Nb[3,3,6]P[3,3]Cl[6]N[3]N[6]Cl2)(P[3,3]Nb[3,3,6]N[3]Cl2)(SiC3)	Cl(P[3,3]Nb[3,3,6]N[3]2Cl)	P[3,3](Nb[3,3,6]Cl[6]N[3]2N[6]Cl2)(N[3]Nb[3,3,6]Si)2(Cl)2{1|Nb<7>,1|P<4>}	N[3](Nb[3,3,6]P[3,3]Cl[6]N[3]N[6]Cl2)(P[3,3]Nb[3,3,6]N[3]Cl2)(SiC3){1|Nb<7>,1|Si<4>,1|P<4>}	Cl(P[3,3]Nb[3,3,6]N[3]2Cl)	112.9873	1.689	4	112.9873	2.853	4	112.9873	2.853	4	113.0570	2.122	8	113.6044	2.045	16	113.1169	2.645	20
366	138	790	0:SPD5_SP-NON_SP3	P[3,3]	N[3]	Cl	7:3:3:1:1:	7:5:4:	5:	Nb[3,3]-7:N[3]-3:N[3]-3:Cl-1:Cl-1:	Nb[3,3]-7:P[3,3]-5:Si-4:	P[3,3]-5:	P[3,3](Nb[3,3]N[3]2Cl4)(N[3]Nb[3,3]Si)2(Cl)2	N[3](Nb[3,3]P[3,3]N[3]Cl4)(P[3,3]Nb[3,3]N[3]Cl2)(SiC3)	Cl(P[3,3]Nb[3,3]N[3]2Cl)	P[3,3](Nb[3,3]N[3]2Cl4)(N[3]Nb[3,3]Si)2(Cl)2	N[3](Nb[3,3]P[3,3]N[3]Cl4)(P[3,3]Nb[3,3]N[3]Cl2)(SiC3){1|Si<4>}	Cl(P[3,3]Nb[3,3]N[3]2Cl)	113.1268	1.444	4	113.1268	2.085	4	113.1268	2.085	4	113.0570	2.122	8	113.6044	2.045	16	113.1169	2.645	20
366	138	790	0:SPD5_SP-NON_SP3	P[3,3]	N[3]	Cl	8:3:3:1:1:	8:5:4:	5:	Nb[4x3]-8:N[3]-3:N[3]-3:Cl-1:Cl-1:	Nb[4x3]-8:P[3,3]-5:Si-4:	P[3,3]-5:	P[3,3](Nb[4x3]Nb[6x3]N[3,3]2N[3]2Cl2)(N[3]Nb[4x3]Si)2(Cl)2	N[3](Nb[4x3]Nb[6x3]N[3,3]2P[3,3]N[3]Cl2)(P[3,3]Nb[4x3]N[3]Cl2)(SiC3)	Cl(P[3,3]Nb[4x3]N[3]2Cl)	P[3,3](Nb[4x3]Nb[6x3]N[3,3]2N[3]2Cl2)(N[3]Nb[4x3]Si)2(Cl)2{3|Cl<1>,2|N<3>,2|P<5>}	N[3](Nb[4x3]Nb[6x3]N[3,3]2P[3,3]N[3]Cl2)(P[3,3]Nb[4x3]N[3]Cl2)(SiC3){1|Si<4>,3|Cl<1>,2|N<3>,2|P<5>}	Cl(P[3,3]Nb[4x3]N[3]2Cl)	113.2638	1.251	4	113.2638	1.564	4	113.2638	1.564	4	113.2638	1.564	4	113.6044	2.045	16	113.1169	2.645	20
366	366	494	3:SPD5_SP2_SPD5	P[3,3]	P[3,3]	N[3]	5:3:2:2:2:	5:3:2:2:2:	5:5:	P[3,3]-5:C[6a]-3:N[3]-2:N[3]-2:N-2:	P[3,3]-5:C[6a]-3:N[3]-2:N[3]-2:N-2:	P[3,3]-5:P[3,3]-5:	P[3,3](P[3,3]C[6a]N[3]2N)(C[6a]C[6a]2)(N[3]P[3,3])2(NN)	P[3,3](P[3,3]C[6a]N[3]2N)(C[6a]C[6a]2)(N[3]P[3,3])2(NN)	N[3](P[3,3]P[3,3]C[6a]N[3]N)2	P[3,3](P[3,3]C[6a]N[3]2N)(C[6a]C[6a]2)(N[3]P[3,3])2(NN){6|C<3>}	P[3,3](P[3,3]C[6a]N[3]2N)(C[6a]C[6a]2)(N[3]P[3,3])2(NN){6|C<3>}	N[3](P[3,3]P[3,3]C[6a]N[3]N)2{4|C<3>}	47.7629	0.180	2	47.7629	0.032	2	47.7629	0.032	2	47.7629	0.032	2	47.7629	0.032	2	47.7629	0.032	2
366	366	643	0:SPD5_SP2_SPD5	P[3,3]	P[3,3]	C[6a]	5:3:2:2:2:	5:3:2:2:2:	5:3:3:	P[3,3]-5:C[6a]-3:N[3]-2:N[3]-2:N-2:	P[3,3]-5:C[6a]-3:N[3]-2:N[3]-2:N-2:	P[3,3]-5:C[6a]-3:C[6a]-3:	P[3,3](P[3,3]C[6a]N[3]2N)(C[6a]C[6a]2)(N[3]P[3,3])2(NN)	P[3,3](P[3,3]C[6a]N[3]2N)(C[6a]C[6a]2)(N[3]P[3,3])2(NN)	C[6a](P[3,3]P[3,3]N[3]2N)(C[6a]C[6a]2)2	P[3,3](P[3,3]C[6a]N[3]2N)(C[6a]C[6a]2)(N[3]P[3,3])2(NN){6|C<3>}	P[3,3](P[3,3]C[6a]N[3]2N)(C[6a]C[6a]2)(N[3]P[3,3])2(NN){6|C<3>}	C[6a](P[3,3]P[3,3]N[3]2N)(C[6a]C[6a]2)2{1|N<2>,2|H<1>,6|C<3>}	132.5740	0.000	1	132.5740	0.000	1	132.5740	0.000	1	132.5740	0.000	1	132.5740	0.000	1	132.5740	0.000	1
366	366	941	0:SPD5_SP2_SPD5	P[3,3]	P[3,3]	N	5:3:2:2:2:	5:3:2:2:2:	5:2:	P[3,3]-5:C[6a]-3:N[3]-2:N[3]-2:N-2:	P[3,3]-5:C[6a]-3:N[3]-2:N[3]-2:N-2:	P[3,3]-5:N-2:	P[3,3](P[3,3]C[6a]N[3]2N)(C[6a]C[6a]2)(N[3]P[3,3])2(NN)	P[3,3](P[3,3]C[6a]N[3]2N)(C[6a]C[6a]2)(N[3]P[3,3])2(NN)	N(P[3,3]P[3,3]C[6a]N[3]2)(NN)	P[3,3](P[3,3]C[6a]N[3]2N)(C[6a]C[6a]2)(N[3]P[3,3])2(NN){6|C<3>}	P[3,3](P[3,3]C[6a]N[3]2N)(C[6a]C[6a]2)(N[3]P[3,3])2(NN){6|C<3>}	N(P[3,3]P[3,3]C[6a]N[3]2)(NN)	127.7290	0.000	1	127.7290	0.000	1	127.7290	0.000	1	127.7290	0.000	1	127.7290	0.000	1	127.7290	0.000	1
366	474	863	0:SPD5_SP2_SP3	P[3]	C[5]	O	4:2:2:1:1:	5:2:3:4:	5:	C[5]-4:H[3]-2:O[3]-2:O-1:O-1:	P[3]-5:O[5]-2:C[5]-3:C-4:	P[3]-5:	P[3](C[5]C[5]O[5]C)(H[3]O[3])(O[3]H[3])(O)2	C[5](P[3]H[3]O[3]OO)(O[5]B[5,5])(C[5]O[5]O)(CC[5a]HH)	O(P[3]C[5]H[3]O[3]O)	P[3](C[5]C[5]O[5]C)(H[3]O[3])(O[3]H[3])(O)2{1|B<4>,1|O<1>,1|O<2>}	C[5](P[3]H[3]O[3]OO)(O[5]B[5,5])(C[5]O[5]O)(CC[5a]HH){2|O<2>}	O(P[3]C[5]H[3]O[3]O)	107.3710	4.376	2	107.3710	19.146	2	107.3710	19.146	2	107.3710	19.146	2	107.3710	19.146	2	107.3710	19.146	2
366	474	962	0:SPD5_SP3_SP3	P[3]	C[5]	O[3]	4:2:2:1:1:	5:2:3:4:	5:2:	C[5]-4:H[3]-2:O[3]-2:O-1:O-1:	P[3]-5:O[5]-2:C[5]-3:C-4:	P[3]-5:H[3]-2:	P[3](C[5]C[5]O[5]C)(H[3]O[3])(O[3]H[3])(O)2	C[5](P[3]H[3]O[3]OO)(O[5]B[5,5])(C[5]O[5]O)(CC[5a]HH)	O[3](P[3]C[5]H[3]OO)(H[3]P[3])	P[3](C[5]C[5]O[5]C)(H[3]O[3])(O[3]H[3])(O)2{1|B<4>,1|O<1>,1|O<2>}	C[5](P[3]H[3]O[3]OO)(O[5]B[5,5])(C[5]O[5]O)(CC[5a]HH){2|O<2>}	O[3](P[3]C[5]H[3]OO)(H[3]P[3]){1|C<3>,1|C<4>,1|O<2>}	104.9680	0.000	1	104.9680	0.000	1	104.9680	0.000	1	104.9680	0.000	1	104.9680	0.000	1	104.9680	0.000	1
366	474	968	0:SPD5_SP-NON_SP3	P[3]	C[5]	H[3]	4:2:2:1:1:	5:2:3:4:	5:2:	C[5]-4:H[3]-2:O[3]-2:O-1:O-1:	P[3]-5:O[5]-2:C[5]-3:C-4:	P[3]-5:O[3]-2:	P[3](C[5]C[5]O[5]C)(H[3]O[3])(O[3]H[3])(O)2	C[5](P[3]H[3]O[3]OO)(O[5]B[5,5])(C[5]O[5]O)(CC[5a]HH)	H[3](P[3]C[5]O[3]OO)(O[3]P[3])	P[3](C[5]C[5]O[5]C)(H[3]O[3])(O[3]H[3])(O)2{1|B<4>,1|O<1>,1|O<2>}	C[5](P[3]H[3]O[3]OO)(O[5]B[5,5])(C[5]O[5]O)(CC[5a]HH){2|O<2>}	H[3](P[3]C[5]O[3]OO)(O[3]P[3])	99.1316	0.000	1	99.1316	0.000	1	99.1316	0.000	1	99.1316	0.000	1	99.1316	0.000	1	99.1316	0.000	1
366	494	494	3:SPD5_SP2_SP2	P[3,3]	N[3]	N[3]	5:3:2:2:2:	5:5:	5:5:	P[3,3]-5:C[6a]-3:N[3]-2:N[3]-2:N-2:	P[3,3]-5:P[3,3]-5:	P[3,3]-5:P[3,3]-5:	P[3,3](P[3,3]C[6a]N[3]2N)(C[6a]C[6a]2)(N[3]P[3,3])2(NN)	N[3](P[3,3]P[3,3]C[6a]N[3]N)2	N[3](P[3,3]P[3,3]C[6a]N[3]N)2	P[3,3](P[3,3]C[6a]N[3]2N)(C[6a]C[6a]2)(N[3]P[3,3])2(NN){6|C<3>}	N[3](P[3,3]P[3,3]C[6a]N[3]N)2{4|C<3>}	N[3](P[3,3]P[3,3]C[6a]N[3]N)2{4|C<3>}	95.5258	0.000	1	95.5258	0.000	1	95.5258	0.000	1	95.5258	0.000	1	95.5258	0.000	1	95.5258	0.000	1
366	494	643	0:SPD5_SP2_SP2	P[3,3]	N[3]	C[6a]	5:3:2:2:2:	5:5:	5:3:3:	P[3,3]-5:C[6a]-3:N[3]-2:N[3]-2:N-2:	P[3,3]-5:P[3,3]-5:	P[3,3]-5:C[6a]-3:C[6a]-3:	P[3,3](P[3,3]C[6a]N[3]2N)(C[6a]C[6a]2)(N[3]P[3,3])2(NN)	N[3](P[3,3]P[3,3]C[6a]N[3]N)2	C[6a](P[3,3]P[3,3]N[3]2N)(C[6a]C[6a]2)2	P[3,3](P[3,3]C[6a]N[3]2N)(C[6a]C[6a]2)(N[3]P[3,3])2(NN){6|C<3>}	N[3](P[3,3]P[3,3]C[6a]N[3]N)2{4|C<3>}	C[6a](P[3,3]P[3,3]N[3]2N)(C[6a]C[6a]2)2{1|N<2>,2|H<1>,6|C<3>}	117.0510	0.245	2	117.0510	0.060	2	117.0510	0.060	2	117.0510	0.060	2	117.0510	0.060	2	117.0510	0.060	2
366	494	941	0:SPD5_SP2_SP2	P[3,3]	N[3]	N	5:3:2:2:2:	5:5:	5:2:	P[3,3]-5:C[6a]-3:N[3]-2:N[3]-2:N-2:	P[3,3]-5:P[3,3]-5:	P[3,3]-5:N-2:	P[3,3](P[3,3]C[6a]N[3]2N)(C[6a]C[6a]2)(N[3]P[3,3])2(NN)	N[3](P[3,3]P[3,3]C[6a]N[3]N)2	N(P[3,3]P[3,3]C[6a]N[3]2)(NN)	P[3,3](P[3,3]C[6a]N[3]2N)(C[6a]C[6a]2)(N[3]P[3,3])2(NN){6|C<3>}	N[3](P[3,3]P[3,3]C[6a]N[3]N)2{4|C<3>}	N(P[3,3]P[3,3]C[6a]N[3]2)(NN)	114.2885	0.145	2	114.2885	0.021	2	114.2885	0.021	2	114.2885	0.021	2	114.2885	0.021	2	114.2885	0.021	2
366	643	902	0:SPD5_SP2_SP2	P[3,5]	C[6a]	C[3]	3:3:3:2:2:	5:3:3:	5:3:3:	C[3]-3:C[3]-3:C[6a]-3:O[5]-2:O[5]-2:	P[3,5]-5:C[6a]-3:C[6a]-3:	P[3,5]-5:C[3]-3:C[6a]-3:	P[3,5](C[3]C[6a]C[3])2(C[6a]C[6a]2)(O[5]C[5,6a])2	C[6a](P[3,5]C[3]2O[5]2)(C[6a]C[6a]H)2	C[3](P[3,5]C[6a]C[3]O[5]2)(C[3]P[3,5]C[6a])(C[6a]C[6a]2)	P[3,5](C[3]C[6a]C[3])2(C[6a]C[6a]2)(O[5]C[5,6a])2{2|H<1>,8|C<3>}	C[6a](P[3,5]C[3]2O[5]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[3](P[3,5]C[6a]C[3]O[5]2)(C[3]P[3,5]C[6a])(C[6a]C[6a]2){2|H<1>,8|C<3>}	113.8850	1.857	2	113.8850	3.448	2	113.8850	3.448	2	113.8850	3.448	2	113.8850	3.448	2	113.8850	3.448	2
366	643	941	0:SPD5_SP2_SP2	P[3,3]	C[6a]	N	5:3:2:2:2:	5:3:3:	5:2:	P[3,3]-5:C[6a]-3:N[3]-2:N[3]-2:N-2:	P[3,3]-5:C[6a]-3:C[6a]-3:	P[3,3]-5:N-2:	P[3,3](P[3,3]C[6a]N[3]2N)(C[6a]C[6a]2)(N[3]P[3,3])2(NN)	C[6a](P[3,3]P[3,3]N[3]2N)(C[6a]C[6a]2)2	N(P[3,3]P[3,3]C[6a]N[3]2)(NN)	P[3,3](P[3,3]C[6a]N[3]2N)(C[6a]C[6a]2)(N[3]P[3,3])2(NN){6|C<3>}	C[6a](P[3,3]P[3,3]N[3]2N)(C[6a]C[6a]2)2{1|N<2>,2|H<1>,6|C<3>}	N(P[3,3]P[3,3]C[6a]N[3]2)(NN)	99.6962	0.000	1	99.6962	0.000	1	99.6962	0.000	1	99.6962	0.000	1	99.6962	0.000	1	99.6962	0.000	1
366	643	976	0:SPD5_SP2_SP2	P[3,5]	C[6a]	O[5]	3:3:3:2:2:	5:3:3:	5:3:	C[3]-3:C[3]-3:C[6a]-3:O[5]-2:O[5]-2:	P[3,5]-5:C[6a]-3:C[6a]-3:	P[3,5]-5:C[5,6a]-3:	P[3,5](C[3]C[6a]C[3])2(C[6a]C[6a]2)(O[5]C[5,6a])2	C[6a](P[3,5]C[3]2O[5]2)(C[6a]C[6a]H)2	O[5](P[3,5]C[6a]C[3]2O[5])(C[5,6a]C[5,6a]C[6a])	P[3,5](C[3]C[6a]C[3])2(C[6a]C[6a]2)(O[5]C[5,6a])2{2|H<1>,8|C<3>}	C[6a](P[3,5]C[3]2O[5]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	O[5](P[3,5]C[6a]C[3]2O[5])(C[5,6a]C[5,6a]C[6a]){1|Cl<1>,6|C<3>}	102.2150	2.382	2	102.2150	5.672	2	102.2150	5.672	2	102.2150	5.672	2	102.2150	5.672	2	102.2150	5.672	2
366	790	790	0:SPD5_SP-NON_SP-NON	P[3,3]	Cl	Cl	10:3:3:1:1:	5:	5:	Nb[6x3]-10:N[3,3]-3:N[3]-3:Cl-1:Cl-1:	P[3,3]-5:	P[3,3]-5:	P[3,3](Nb[6x3]Nb[4x3]N[3,3]2P[3,3]N[3]2Cl3)(N[3,3]Nb[4x3]Nb[6x3])(N[3]Nb[6x3]Si)(Cl)2	Cl(P[3,3]Nb[6x3]N[3,3]N[3]Cl)	Cl(P[3,3]Nb[6x3]N[3,3]N[3]Cl)	P[3,3](Nb[6x3]Nb[4x3]N[3,3]2P[3,3]N[3]2Cl3)(N[3,3]Nb[4x3]Nb[6x3])(N[3]Nb[6x3]Si)(Cl)2{1|Si<4>,4|Cl<1>,1|P<5>,2|N<3>}	Cl(P[3,3]Nb[6x3]N[3,3]N[3]Cl)	Cl(P[3,3]Nb[6x3]N[3,3]N[3]Cl)	102.3930	0.365	2	102.3930	0.133	2	102.3930	0.133	2	102.3930	0.133	2	101.8892	0.881	5	101.8892	0.881	5
366	790	790	0:SPD5_SP-NON_SP-NON	P[3,3]	Cl	Cl	7:3:3:1:1:	5:	5:	Nb[3,3,6]-7:N[3]-3:N[3]-3:Cl-1:Cl-1:	P[3,3]-5:	P[3,3]-5:	P[3,3](Nb[3,3,6]Cl[6]N[3]2N[6]Cl2)(N[3]Nb[3,3,6]Si)2(Cl)2	Cl(P[3,3]Nb[3,3,6]N[3]2Cl)	Cl(P[3,3]Nb[3,3,6]N[3]2Cl)	P[3,3](Nb[3,3,6]Cl[6]N[3]2N[6]Cl2)(N[3]Nb[3,3,6]Si)2(Cl)2{1|Nb<7>,1|P<4>}	Cl(P[3,3]Nb[3,3,6]N[3]2Cl)	Cl(P[3,3]Nb[3,3,6]N[3]2Cl)	101.6030	0.000	1	101.6030	0.000	1	101.6030	0.000	1	102.1295	0.554	2	101.8892	0.881	5	101.8892	0.881	5
366	790	790	0:SPD5_SP-NON_SP-NON	P[3,3]	Cl	Cl	7:3:3:1:1:	5:	5:	Nb[3,3]-7:N[3]-3:N[3]-3:Cl-1:Cl-1:	P[3,3]-5:	P[3,3]-5:	P[3,3](Nb[3,3]N[3]2Cl4)(N[3]Nb[3,3]Si)2(Cl)2	Cl(P[3,3]Nb[3,3]N[3]2Cl)	Cl(P[3,3]Nb[3,3]N[3]2Cl)	P[3,3](Nb[3,3]N[3]2Cl4)(N[3]Nb[3,3]Si)2(Cl)2	Cl(P[3,3]Nb[3,3]N[3]2Cl)	Cl(P[3,3]Nb[3,3]N[3]2Cl)	102.6560	0.000	1	102.6560	0.000	1	102.6560	0.000	1	102.1295	0.554	2	101.8892	0.881	5	101.8892	0.881	5
366	790	790	0:SPD5_SP-NON_SP-NON	P[3,3]	Cl	Cl	8:3:3:1:1:	5:	5:	Nb[4x3]-8:N[3]-3:N[3]-3:Cl-1:Cl-1:	P[3,3]-5:	P[3,3]-5:	P[3,3](Nb[4x3]Nb[6x3]N[3,3]2N[3]2Cl2)(N[3]Nb[4x3]Si)2(Cl)2	Cl(P[3,3]Nb[4x3]N[3]2Cl)	Cl(P[3,3]Nb[4x3]N[3]2Cl)	P[3,3](Nb[4x3]Nb[6x3]N[3,3]2N[3]2Cl2)(N[3]Nb[4x3]Si)2(Cl)2{3|Cl<1>,2|N<3>,2|P<5>}	Cl(P[3,3]Nb[4x3]N[3]2Cl)	Cl(P[3,3]Nb[4x3]N[3]2Cl)	100.4010	0.000	1	100.4010	0.000	1	100.4010	0.000	1	100.4010	0.000	1	101.8892	0.881	5	101.8892	0.881	5
366	863	863	0:SPD5_SP2_SP2	P[3]	O	O	4:2:2:1:1:	5:	5:	C[5]-4:H[3]-2:O[3]-2:O-1:O-1:	P[3]-5:	P[3]-5:	P[3](C[5]C[5]O[5]C)(H[3]O[3])(O[3]H[3])(O)2	O(P[3]C[5]H[3]O[3]O)	O(P[3]C[5]H[3]O[3]O)	P[3](C[5]C[5]O[5]C)(H[3]O[3])(O[3]H[3])(O)2{1|B<4>,1|O<1>,1|O<2>}	O(P[3]C[5]H[3]O[3]O)	O(P[3]C[5]H[3]O[3]O)	109.8170	0.000	1	109.8170	0.000	1	109.8170	0.000	1	109.8170	0.000	1	109.8170	0.000	1	109.8170	0.000	1
366	863	962	0:SPD5_SP2_SP3	P[3]	O	O[3]	4:2:2:1:1:	5:	5:2:	C[5]-4:H[3]-2:O[3]-2:O-1:O-1:	P[3]-5:	P[3]-5:H[3]-2:	P[3](C[5]C[5]O[5]C)(H[3]O[3])(O[3]H[3])(O)2	O(P[3]C[5]H[3]O[3]O)	O[3](P[3]C[5]H[3]OO)(H[3]P[3])	P[3](C[5]C[5]O[5]C)(H[3]O[3])(O[3]H[3])(O)2{1|B<4>,1|O<1>,1|O<2>}	O(P[3]C[5]H[3]O[3]O)	O[3](P[3]C[5]H[3]OO)(H[3]P[3]){1|C<3>,1|C<4>,1|O<2>}	113.0950	8.898	2	113.0950	79.179	2	113.0950	79.179	2	113.0950	79.179	2	113.0950	79.179	2	113.0950	79.179	2
366	863	968	0:SPD5_SP-NON_SP2	P[3]	O	H[3]	4:2:2:1:1:	5:	5:2:	C[5]-4:H[3]-2:O[3]-2:O-1:O-1:	P[3]-5:	P[3]-5:O[3]-2:	P[3](C[5]C[5]O[5]C)(H[3]O[3])(O[3]H[3])(O)2	O(P[3]C[5]H[3]O[3]O)	H[3](P[3]C[5]O[3]OO)(O[3]P[3])	P[3](C[5]C[5]O[5]C)(H[3]O[3])(O[3]H[3])(O)2{1|B<4>,1|O<1>,1|O<2>}	O(P[3]C[5]H[3]O[3]O)	H[3](P[3]C[5]O[3]OO)(O[3]P[3])	115.9836	23.034	2	115.9836	530.556	2	115.9836	530.556	2	115.9836	530.556	2	115.9836	530.556	2	115.9836	530.556	2
366	902	902	3:SPD5_SP2_SP2	P[3,5]	C[3]	C[3]	3:3:3:2:2:	5:3:3:	5:3:3:	C[3]-3:C[3]-3:C[6a]-3:O[5]-2:O[5]-2:	P[3,5]-5:C[3]-3:C[6a]-3:	P[3,5]-5:C[3]-3:C[6a]-3:	P[3,5](C[3]C[6a]C[3])2(C[6a]C[6a]2)(O[5]C[5,6a])2	C[3](P[3,5]C[6a]C[3]O[5]2)(C[3]P[3,5]C[6a])(C[6a]C[6a]2)	C[3](P[3,5]C[6a]C[3]O[5]2)(C[3]P[3,5]C[6a])(C[6a]C[6a]2)	P[3,5](C[3]C[6a]C[3])2(C[6a]C[6a]2)(O[5]C[5,6a])2{2|H<1>,8|C<3>}	C[3](P[3,5]C[6a]C[3]O[5]2)(C[3]P[3,5]C[6a])(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[3](P[3,5]C[6a]C[3]O[5]2)(C[3]P[3,5]C[6a])(C[6a]C[6a]2){2|H<1>,8|C<3>}	45.9783	0.000	1	45.9783	0.000	1	45.9783	0.000	1	45.9783	0.000	1	45.9783	0.000	1	45.9783	0.000	1
366	902	976	0:SPD5_SP2_SP2	P[3,5]	C[3]	O[5]	3:3:3:2:2:	5:3:3:	5:3:	C[3]-3:C[3]-3:C[6a]-3:O[5]-2:O[5]-2:	P[3,5]-5:C[3]-3:C[6a]-3:	P[3,5]-5:C[5,6a]-3:	P[3,5](C[3]C[6a]C[3])2(C[6a]C[6a]2)(O[5]C[5,6a])2	C[3](P[3,5]C[6a]C[3]O[5]2)(C[3]P[3,5]C[6a])(C[6a]C[6a]2)	O[5](P[3,5]C[6a]C[3]2O[5])(C[5,6a]C[5,6a]C[6a])	P[3,5](C[3]C[6a]C[3])2(C[6a]C[6a]2)(O[5]C[5,6a])2{2|H<1>,8|C<3>}	C[3](P[3,5]C[6a]C[3]O[5]2)(C[3]P[3,5]C[6a])(C[6a]C[6a]2){2|H<1>,8|C<3>}	O[5](P[3,5]C[6a]C[3]2O[5])(C[5,6a]C[5,6a]C[6a]){1|Cl<1>,6|C<3>}	120.0735	21.495	4	120.0735	462.036	4	120.0735	462.036	4	120.0735	462.036	4	120.0735	462.036	4	120.0735	462.036	4
366	962	968	0:SPD5_SP-NON_SP3	P[3]	O[3]	H[3]	4:2:2:1:1:	5:2:	5:2:	C[5]-4:H[3]-2:O[3]-2:O-1:O-1:	P[3]-5:H[3]-2:	P[3]-5:O[3]-2:	P[3](C[5]C[5]O[5]C)(H[3]O[3])(O[3]H[3])(O)2	O[3](P[3]C[5]H[3]OO)(H[3]P[3])	H[3](P[3]C[5]O[3]OO)(O[3]P[3])	P[3](C[5]C[5]O[5]C)(H[3]O[3])(O[3]H[3])(O)2{1|B<4>,1|O<1>,1|O<2>}	O[3](P[3]C[5]H[3]OO)(H[3]P[3]){1|C<3>,1|C<4>,1|O<2>}	H[3](P[3]C[5]O[3]OO)(O[3]P[3])	25.9982	0.000	1	25.9982	0.000	1	25.9982	0.000	1	25.9982	0.000	1	25.9982	0.000	1	25.9982	0.000	1
366	976	976	5:SPD5_SP2_SP2	P[3,5]	O[5]	O[5]	3:3:3:2:2:	5:3:	5:3:	C[3]-3:C[3]-3:C[6a]-3:O[5]-2:O[5]-2:	P[3,5]-5:C[5,6a]-3:	P[3,5]-5:C[5,6a]-3:	P[3,5](C[3]C[6a]C[3])2(C[6a]C[6a]2)(O[5]C[5,6a])2	O[5](P[3,5]C[6a]C[3]2O[5])(C[5,6a]C[5,6a]C[6a])	O[5](P[3,5]C[6a]C[3]2O[5])(C[5,6a]C[5,6a]C[6a])	P[3,5](C[3]C[6a]C[3])2(C[6a]C[6a]2)(O[5]C[5,6a])2{2|H<1>,8|C<3>}	O[5](P[3,5]C[6a]C[3]2O[5])(C[5,6a]C[5,6a]C[6a]){1|Cl<1>,6|C<3>}	O[5](P[3,5]C[6a]C[3]2O[5])(C[5,6a]C[5,6a]C[6a]){1|Cl<1>,6|C<3>}	89.5263	0.000	1	89.5263	0.000	1	89.5263	0.000	1	89.5263	0.000	1	89.5263	0.000	1	89.5263	0.000	1
370	610	951	0:SP-NON_SP-NON_SP3	F	B	H	4:1:	2:1:1:1:	2:	B-4:H-1:	F-2:F-1:F-1:F-1:	F-2:	F(BF3)(H)	B(FH)(F)3	H(FB)	F(BF3)(H)	B(FH)(F)3	H(FB)	109.4580	0.000	1	109.4580	0.000	1	109.4580	0.000	1	109.4580	0.000	1	109.4580	0.000	1	109.4580	0.000	1
370	610	984	0:SP-NON_SP-NON_SP3	F	B	Ga	4:4:	2:1:1:1:	3:2:1:1:	Ga-4:B-4:	F-2:F-1:F-1:F-1:	C[5]-3:F-2:Cl-1:Cl-1:	F(GaC[5]Cl2)(BF3)	B(FGa)(F)3	Ga(C[5]N[5]2)(FB)(Cl)2	F(GaC[5]Cl2)(BF3)	B(FGa)(F)3	Ga(C[5]N[5]2)(FB)(Cl)2	137.4065	2.371	2	137.4065	5.621	2	137.4065	5.621	2	137.4065	5.621	2	137.4065	5.621	2	137.4065	5.621	2
370	610	992	0:SP-NON_SP3_SP3	F	B	P	4:4:	2:1:1:1:	3:3:2:2:	P-4:B-4:	F-2:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:O-2:F-2:	F(PC[6a]2O)(BF3)	B(FP)(F)3	P(C[6a]C[6a]2)2(ORu)(FB)	F(PC[6a]2O)(BF3)	B(FP)(F)3	P(C[6a]C[6a]2)2(ORu)(FB)	134.6600	0.000	1	134.6600	0.000	1	134.6600	0.000	1	134.6600	0.000	1	134.6600	0.000	1	134.6600	0.000	1
370	984	984	0:SP-NON_SP-NON_SP-NON	F	Ga	Ga	4:4:	3:3:3:2:	3:3:3:2:	Ga-4:Ga-4:	C[6a]-3:C[6a]-3:C[6a]-3:F-2:	C[6a]-3:C[6a]-3:C[6a]-3:F-2:	F(GaC[6a]3)2	Ga(C[6a]C[6a]2)3(FGa)	Ga(C[6a]C[6a]2)3(FGa)	F(GaC[6a]3)2	Ga(C[6a]C[6a]2)3(FGa)	Ga(C[6a]C[6a]2)3(FGa)	173.3680	0.000	1	173.3680	0.000	1	173.3680	0.000	1	173.3680	0.000	1	173.3680	0.000	1	173.3680	0.000	1
371	217	371	6:SP2_SP2_SP2	N[6a]	N[6a]	N[6a]	2:3:	3:2:4:	3:2:	N[6a]-2:N[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[5a,6a]-3:N[6a]-2:	N[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)	N[6a](C[6a]N[5a,6a]O)(N[6a]N[6a])(CCHH)	N[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]N[6a])	N[6a](N[6a]C[5a,6a])(N[6a]C[6a]C){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]N[5a,6a]O)(N[6a]N[6a])(CCHH){2|C<3>}	N[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]N[6a]){1|C<4>,1|N<2>,3|C<3>}	119.9573	0.337	3	119.9573	0.113	3	120.2292	0.137	12	120.2423	0.128	13	120.2043	0.138	14	120.2043	0.138	14
371	217	371	6:SP2_SP2_SP2	N[6a]	N[6a]	N[6a]	2:3:	3:2:4:	3:2:	N[6a]-2:N[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[5a,6a]-3:N[6a]-2:	N[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)	N[6a](C[6a]N[5a,6a]O)(N[6a]N[6a])(CH3)	N[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]N[6a])	N[6a](N[6a]C[5a,6a])(N[6a]C[6a]C){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]N[5a,6a]O)(N[6a]N[6a])(CH3){2|C<3>}	N[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]N[6a]){1|C<4>,1|N<2>,3|C<3>}	120.2786	0.362	7	120.2786	0.131	7	120.2292	0.137	12	120.2423	0.128	13	120.2043	0.138	14	120.2043	0.138	14
371	217	371	6:SP2_SP2_SP2	N[6a]	N[6a]	N[6a]	2:3:	3:2:4:	3:2:	N[6a]-2:N[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[5a,6a]-3:N[6a]-2:	N[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)	N[6a](C[6a]N[5a,6a]O)(N[6a]N[6a])(CHHO)	N[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]N[6a])	N[6a](N[6a]C[5a,6a])(N[6a]C[6a]C){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]N[5a,6a]O)(N[6a]N[6a])(CHHO){2|C<3>}	N[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]N[6a]){1|C<4>,1|N<2>,3|C<3>}	120.1950	0.000	1	120.1950	0.000	1	120.2292	0.137	12	120.2423	0.128	13	120.2043	0.138	14	120.2043	0.138	14
371	217	371	6:SP2_SP2_SP2	N[6a]	N[6a]	N[6a]	2:3:	3:2:4:	3:2:	N[6a]-2:N[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[5a,6a]-3:N[6a]-2:	N[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)	N[6a](C[6a]N[5a,6a]O)(N[6a]N[6a])(CSiHH)	N[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]N[6a])	N[6a](N[6a]C[5a,6a])(N[6a]C[6a]C){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]N[5a,6a]O)(N[6a]N[6a])(CSiHH){2|C<3>}	N[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]N[6a]){1|C<4>,1|N<2>,3|C<3>}	120.7340	0.000	1	120.7340	0.000	1	120.2292	0.137	12	120.2423	0.128	13	120.2043	0.138	14	120.2043	0.138	14
371	217	371	6:SP2_SP2_SP2	N[6a]	N[6a]	N[6a]	2:3:	3:2:4:	3:2:	N[6a]-2:N[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a,6a]-3:N[6a]-2:	N[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)	N[6a](C[6a]C[6a,6a]O)(N[6a]N[6a])(CCCH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])	N[6a](N[6a]C[6a,6a])(N[6a]C[6a]C){1|O<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(N[6a]N[6a])(CCCH){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a]){1|C<4>,1|H<1>,3|C<3>}	120.3990	0.000	1	120.3990	0.000	1	120.3990	0.000	1	120.2423	0.128	13	120.2043	0.138	14	120.2043	0.138	14
371	217	371	6:SP2_SP2_SP2	N[6a]	N[6a]	N[6a]	2:3:	3:3:2:	3:2:	N[6a]-2:N[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:	N[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(N[6a]N[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])	N[6a](N[6a]C[6a,6a])(N[6a]C[6a]2){1|O<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(N[6a]N[6a]){1|Br<1>,1|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a]){1|H<1>,4|C<3>}	119.7100	0.000	1	119.7100	0.000	1	119.7100	0.000	1	119.7100	0.000	1	120.2043	0.138	14	120.2043	0.138	14
371	217	643	6:SP2_SP2_SP2	N[6a]	N[6,6a]	C[6a]	3:3:	3:2:3:	3:2:1:	N[6,6a]-3:C[6a]-3:	B[6,6a]-3:N[6a]-2:C[6]-3:	C[6a,6a]-3:N[6a]-2:H-1:	N[6a](N[6,6a]B[6,6a]C[6])(C[6a]C[6a,6a]H)	N[6,6a](B[6,6a]C[6a,6a]O[6])(N[6a]C[6a])(C[6]C[6]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6,6a])(H)	N[6a](N[6,6a]B[6,6a]C[6])(C[6a]C[6a,6a]H){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	N[6,6a](B[6,6a]C[6a,6a]O[6])(N[6a]C[6a])(C[6]C[6]O){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6,6a])(H){1|B<3>,1|H<1>,3|C<3>}	117.3160	0.000	1	117.1380	0.063	2	117.1380	0.063	2	117.1380	0.063	2	116.4223	1.351	7	117.1688	2.898	134
371	217	643	6:SP2_SP2_SP2	N[6a]	N[6,6a]	C[6a]	3:3:	3:2:3:	3:2:1:	N[6,6a]-3:C[6a]-3:	B[6,6a]-3:N[6a]-2:C[6]-3:	C[6a,6a]-3:N[6a]-2:H-1:	N[6a](N[6,6a]B[6,6a]C[6])(C[6a]C[6a,6a]H)	N[6,6a](B[6,6a]C[6a,6a]O[6])(N[6a]C[6a])(C[6]C[6]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6,6a])(H)	N[6a](N[6,6a]B[6,6a]C[6])(C[6a]C[6a,6a]H){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	N[6,6a](B[6,6a]C[6a,6a]O[6])(N[6a]C[6a])(C[6]C[6]O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6,6a])(H){1|B<3>,1|H<1>,3|C<3>}	116.9600	0.000	1	117.1380	0.063	2	117.1380	0.063	2	117.1380	0.063	2	116.4223	1.351	7	117.1688	2.898	134
371	217	643	6:SP2_SP2_SP2	N[6a]	N[6,6a]	C[6a]	3:3:	3:4:2:	2:3:3:	N[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:N[6a]-2:	N[6a]-2:C[6a]-3:C[6a]-3:	N[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)	N[6,6a](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(N[6a]C[6a])	C[6a](N[6a]N[6,6a])(C[6a]C[6a]2)(C[6a]N[6a]O)	N[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]2){1|C<4>,1|N<2>,1|O<1>,2|H<1>,3|C<3>}	N[6,6a](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(N[6a]C[6a]){2|H<1>,4|C<3>}	C[6a](N[6a]N[6,6a])(C[6a]C[6a]2)(C[6a]N[6a]O){1|C<4>,2|H<1>,3|C<3>}	118.3820	0.000	1	118.3820	0.000	1	118.3820	0.000	1	118.3820	0.000	1	116.4223	1.351	7	117.1688	2.898	134
371	217	643	6:SP2_SP2_SP2	N[6a]	N[6,6a]	C[6a]	3:3:	4:2:3:	3:2:1:	N[6,6a]-3:C[6a]-3:	B[6,6,6a]-4:N[6a]-2:C[6]-3:	C[6a,6a]-3:N[6a]-2:H-1:	N[6a](N[6,6a]B[6,6,6a]C[6])(C[6a]C[6a,6a]H)	N[6,6a](B[6,6,6a]C[6a,6a]O[6,6]O[6])(N[6a]C[6a])(C[6]O[6]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6,6a])(H)	N[6a](N[6,6a]B[6,6,6a]C[6])(C[6a]C[6a,6a]H){1|C<4>,2|C<3>,3|O<2>}	N[6,6a](B[6,6,6a]C[6a,6a]O[6,6]O[6])(N[6a]C[6a])(C[6]O[6]C){1|B<4>,1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6,6a])(H){1|B<4>,1|H<1>,3|C<3>}	115.5745	0.318	4	115.5745	0.101	4	115.5745	0.101	4	115.5745	0.101	4	116.4223	1.351	7	117.1688	2.898	134
371	217	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6,6a]	3:3:	2:3:1:	3:2:3:	C[6,6a]-3:N[6a]-3:	N[6a]-2:C[6a]-3:H-1:	C[6,6a]-3:N[6a]-2:N[6]-3:	N[6a](C[6,6a]C[6,6a]N[6])(N[6a]C[6a]H)	N[6a](N[6a]C[6,6a])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]N[6])(N[6a]N[6a])(N[6]C[6]C)	N[6a](C[6,6a]C[6,6a]N[6])(N[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,2|C<4>}	N[6a](N[6a]C[6,6a])(C[6a]C[6a]O)(H){1|C<3>,2|N<3>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6a]N[6a])(N[6]C[6]C){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	116.6660	0.000	1	116.6660	0.000	1	116.6660	0.000	1	116.6660	0.000	1	116.6660	0.000	1	117.1688	2.898	134
371	217	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a,6a]	3:3:	2:3:1:	3:3:2:	C[6a,6a]-3:N[6a]-3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(N[6a]C[6a]H)	N[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(H)	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]N[6a])	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(N[6a]C[6a]H){1|N<2>,1|O<1>,3|C<3>}	N[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(H){2|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]N[6a]){1|N<3>,2|H<1>,4|C<3>}	126.1850	0.000	1	126.1850	0.000	1	126.1850	0.000	1	126.1850	0.000	1	120.6527	23.149	3	117.1688	2.898	134
371	217	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a,6a]	3:3:	2:3:3:	3:3:2:	C[6a,6a]-3:N[6a]-3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)	N[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]2)(N[6a]N[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2){1|C<4>,6|C<3>}	N[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]C){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]2)(N[6a]N[6a]){1|H<1>,7|C<3>}	118.3270	0.000	1	118.3270	0.000	1	117.8865	0.388	2	117.8865	0.388	2	120.6527	23.149	3	117.1688	2.898	134
371	217	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a,6a]	3:3:	2:3:3:	3:3:2:	C[6a,6a]-3:N[6a]-3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)	N[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]N[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2){1|H<1>,1|O<1>,5|C<3>}	N[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]O){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]N[6a]){2|H<1>,4|C<3>}	117.4460	0.000	1	117.4460	0.000	1	117.8865	0.388	2	117.8865	0.388	2	120.6527	23.149	3	117.1688	2.898	134
371	217	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:3:	2:2:1:	3:2:1:	C[6a]-3:N[6a]-3:	N[6a]-2:N[6a]-2:O-1:	N[5a,6a]-3:N[6a]-2:O-1:	N[6a](C[6a]N[5a,6a]O)(N[6a]N[6a]O)	N[6a](N[6a]C[5a,6a])(N[6a]C[6a])(O)	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]N[6a])(O)	N[6a](C[6a]N[5a,6a]O)(N[6a]N[6a]O){1|C<3>,1|N<2>}	N[6a](N[6a]C[5a,6a])(N[6a]C[6a])(O){1|N<2>,1|N<3>,1|O<1>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]N[6a])(O){1|C<3>,1|O<1>,2|N<2>}	119.2230	0.000	1	119.2230	0.000	1	119.2230	0.000	1	119.2230	0.000	1	117.1304	2.379	123	117.1688	2.898	134
371	217	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:N[6a]-3:	B[6a]-3:N[6a]-2:H-1:	C[6a,6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a,6a]H)(N[6a]B[6a]H)	N[6a](B[6a]C[6a,6a]O)(N[6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(H)	N[6a](C[6a]C[6a,6a]H)(N[6a]B[6a]H){1|O<2>,2|C<3>}	N[6a](B[6a]C[6a,6a]O)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(H){1|B<3>,2|C<3>,2|H<1>}	116.7420	0.000	1	116.7420	0.000	1	116.7420	0.000	1	115.8021	1.883	18	117.1304	2.379	123	117.1688	2.898	134
371	217	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:N[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[5a,6a]H)(N[6a]C[6a]H)	N[6a](C[6a]C[5a,6a]O)(N[6a]C[6a])(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]N[6a])(H)	N[6a](C[6a]C[5a,6a]H)(N[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[5a,6a]O)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]N[6a])(H){2|H<1>,3|C<3>}	117.4980	0.000	1	117.4980	0.000	1	117.4980	0.000	1	115.8021	1.883	18	117.1304	2.379	123	117.1688	2.898	134
371	217	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:N[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a,6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]H)	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(H)	N[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]H){1|O<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(H){2|H<1>,3|C<3>}	116.2140	0.280	2	116.2140	0.078	2	116.2140	0.078	2	115.8021	1.883	18	117.1304	2.379	123	117.1688	2.898	134
371	217	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:N[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:Cl-1:	N[6a](C[6a]C[6a]Cl)(N[6a]C[6a]H)	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(N[6a]C[6a]H){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(Cl){1|C<3>,2|H<1>}	115.7480	0.000	1	115.7480	0.000	1	115.6735	0.011	2	115.8021	1.883	18	117.1304	2.379	123	117.1688	2.898	134
371	217	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:N[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:Cl-1:	N[6a](C[6a]C[6a]Cl)(N[6a]C[6a]H)	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]O)(N[6a]N[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(N[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>}	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]O)(N[6a]N[6a])(Cl){1|C<3>,1|C<4>,1|H<1>}	115.5990	0.000	1	115.5990	0.000	1	115.6735	0.011	2	115.8021	1.883	18	117.1304	2.379	123	117.1688	2.898	134
371	217	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:N[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:F-1:	N[6a](C[6a]C[6a]F)(N[6a]C[6a]H)	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]F)(N[6a]N[6a])(F)	N[6a](C[6a]C[6a]F)(N[6a]C[6a]H){1|C<3>,1|F<1>,1|O<1>}	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H){1|C<3>,1|F<1>,1|N<3>}	C[6a](C[6a]C[6a]F)(N[6a]N[6a])(F){1|C<3>,1|H<1>,1|N<3>}	113.3580	0.115	3	113.9622	1.469	4	114.6812	2.123	6	115.8021	1.883	18	117.1304	2.379	123	117.1688	2.898	134
371	217	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:N[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:F-1:	N[6a](C[6a]C[6a]F)(N[6a]C[6a]H)	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]F)(N[6a]N[6a])(F)	N[6a](C[6a]C[6a]F)(N[6a]C[6a]H){1|C<3>,1|F<1>,1|O<1>}	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(N[6a]N[6a])(F){1|C<3>,1|F<1>,1|H<1>}	115.7750	0.000	1	113.9622	1.469	4	114.6812	2.123	6	115.8021	1.883	18	117.1304	2.379	123	117.1688	2.898	134
371	217	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:N[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:F-1:	N[6a](C[6a]C[6a]F)(N[6a]C[6a]H)	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]N)(N[6a]N[6a])(F)	N[6a](C[6a]C[6a]F)(N[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]N)(N[6a]N[6a])(F){1|C<3>,1|F<1>,1|H<1>}	116.1190	0.059	2	116.1190	0.004	2	114.6812	2.123	6	115.8021	1.883	18	117.1304	2.379	123	117.1688	2.898	134
371	217	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:N[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)(N[6a]C[6a]H)	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]C)(N[6a]N[6a])(H)	N[6a](C[6a]C[6a]H)(N[6a]C[6a]H){1|C<3>,1|C<4>,1|O<1>}	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]N[6a])(H){1|C<3>,2|H<1>}	116.0245	0.373	2	116.0245	0.139	2	115.6368	0.253	4	115.8021	1.883	18	117.1304	2.379	123	117.1688	2.898	134
371	217	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:N[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)(N[6a]C[6a]H)	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(H)	N[6a](C[6a]C[6a]H)(N[6a]C[6a]H){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(H){1|C<3>,1|C<4>,1|H<1>}	115.1490	0.000	1	115.1490	0.000	1	115.6368	0.253	4	115.8021	1.883	18	117.1304	2.379	123	117.1688	2.898	134
371	217	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:N[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)(N[6a]C[6a]H)	N[6a](C[6a]N[6a]O)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]N[6a])(N[6a]N[6a])(H)	N[6a](C[6a]C[6a]H)(N[6a]C[6a]H){1|C<3>,1|N<2>,1|O<1>}	N[6a](C[6a]N[6a]O)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]N[6a])(N[6a]N[6a])(H){1|H<1>,3|C<3>}	115.3490	0.000	1	115.3490	0.000	1	115.6368	0.253	4	115.8021	1.883	18	117.1304	2.379	123	117.1688	2.898	134
371	217	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	N[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H)	C[6a](C[6a]C[6a,6a]O)(N[6a]N[6a])(H)	N[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]H){1|O<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(N[6a]N[6a])(H){1|H<1>,2|C<3>}	117.8940	0.130	2	117.8940	0.017	2	117.8940	0.017	2	115.8021	1.883	18	117.1304	2.379	123	117.1688	2.898	134
371	217	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:3:	3:2:1:	3:2:2:	C[6a]-3:N[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6,6a]-3:N[6a]-2:O-2:	N[6a](C[6a]C[6,6a]O)(N[6a]C[6a]H)	N[6a](C[6a]C[6,6a]O)(N[6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]N[6])(N[6a]N[6a])(OCd)	N[6a](C[6a]C[6,6a]O)(N[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6,6a]O)(N[6a]C[6a])(H){1|O<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(N[6a]N[6a])(OCd){1|H<1>,3|C<3>}	117.2350	0.000	1	117.2350	0.000	1	117.2233	0.026	4	116.5967	0.885	13	117.1304	2.379	123	117.1688	2.898	134
371	217	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:3:	3:2:1:	3:2:2:	C[6a]-3:N[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6,6a]-3:N[6a]-2:O-2:	N[6a](C[6a]C[6,6a]O)(N[6a]C[6a]H)	N[6a](C[6a]C[6,6a]O)(N[6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]N[6])(N[6a]N[6a])(OMn)	N[6a](C[6a]C[6,6a]O)(N[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6,6a]O)(N[6a]C[6a])(H){1|O<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(N[6a]N[6a])(OMn){1|H<1>,3|C<3>}	117.1170	0.122	2	117.1170	0.015	2	117.2233	0.026	4	116.5967	0.885	13	117.1304	2.379	123	117.1688	2.898	134
371	217	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:3:	3:2:1:	3:2:2:	C[6a]-3:N[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6,6a]-3:N[6a]-2:O-2:	N[6a](C[6a]C[6,6a]O)(N[6a]C[6a]H)	N[6a](C[6a]C[6,6a]O)(N[6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]N[6])(N[6a]N[6a])(OPb)	N[6a](C[6a]C[6,6a]O)(N[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6,6a]O)(N[6a]C[6a])(H){1|O<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(N[6a]N[6a])(OPb){1|H<1>,3|C<3>}	117.4240	0.000	1	117.4240	0.000	1	117.2233	0.026	4	116.5967	0.885	13	117.1304	2.379	123	117.1688	2.898	134
371	217	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:3:	3:2:1:	3:2:2:	C[6a]-3:N[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a,6a]-3:N[6a]-2:O-2:	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a]H)	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(OH)	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a]H){1|O<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a])(H){1|O<2>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(OH){2|H<1>,3|C<3>}	116.6803	0.785	7	116.6803	0.616	7	116.6803	0.616	7	116.5967	0.885	13	117.1304	2.379	123	117.1688	2.898	134
371	217	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:3:	3:2:1:	3:2:2:	C[6a]-3:N[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:O-2:	N[6a](C[6a]C[6a]O)(N[6a]C[6a]H)	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(OH)	N[6a](C[6a]C[6a]O)(N[6a]C[6a]H){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(OH){1|C<3>,2|H<1>}	115.5240	0.000	1	115.5240	0.000	1	115.5240	0.000	1	116.5967	0.885	13	117.1304	2.379	123	117.1688	2.898	134
371	217	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:3:	3:2:1:	3:2:2:	C[6a]-3:N[6a]-3:	C[6a]-3:N[6a]-2:H-1:	N[5a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a]N[5a]N[6a])(N[6a]C[6a]H)	N[6a](C[6a]N[6a]O)(N[6a]C[6a])(H)	C[6a](N[5a]C[5a]N[5a])(N[6a]N[6a])2	N[6a](C[6a]N[5a]N[6a])(N[6a]C[6a]H){1|C<3>,1|O<1>,2|N<2>}	N[6a](C[6a]N[6a]O)(N[6a]C[6a])(H){1|N<2>,1|N<3>}	C[6a](N[5a]C[5a]N[5a])(N[6a]N[6a])2{1|C<4>,1|H<1>,3|C<3>}	114.5780	0.000	1	114.5780	0.000	1	114.5780	0.000	1	116.5967	0.885	13	117.1304	2.379	123	117.1688	2.898	134
371	217	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:3:	3:2:1:	3:2:3:	C[6a]-3:N[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a,6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a,6a]N)(N[6a]C[6a]H)	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(NCH)	N[6a](C[6a]C[6a,6a]N)(N[6a]C[6a]H){1|O<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a])(H){1|N<3>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(NCH){2|H<1>,3|C<3>}	116.9225	0.025	2	116.9225	0.001	2	116.9225	0.001	2	116.4180	0.286	6	117.1304	2.379	123	117.1688	2.898	134
371	217	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:3:	3:2:1:	3:2:3:	C[6a]-3:N[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:C-3:	N[6a](C[6a]C[6a]C)(N[6a]C[6a]H)	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(CCH)	N[6a](C[6a]C[6a]C)(N[6a]C[6a]H){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(CCH){1|C<3>,1|C<4>,1|H<1>}	116.3700	0.000	1	116.3700	0.000	1	116.3933	0.023	3	116.4180	0.286	6	117.1304	2.379	123	117.1688	2.898	134
371	217	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:3:	3:2:1:	3:2:3:	C[6a]-3:N[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:C-3:	N[6a](C[6a]C[6a]C)(N[6a]C[6a]H)	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(CHO)	N[6a](C[6a]C[6a]C)(N[6a]C[6a]H){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(CHO){1|C<3>,2|H<1>}	116.2540	0.000	1	116.2540	0.000	1	116.3933	0.023	3	116.4180	0.286	6	117.1304	2.379	123	117.1688	2.898	134
371	217	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:3:	3:2:1:	3:2:3:	C[6a]-3:N[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:C-3:	N[6a](C[6a]C[6a]C)(N[6a]C[6a]H)	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(CNO)	N[6a](C[6a]C[6a]C)(N[6a]C[6a]H){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(CNO){1|C<3>,1|C<4>,1|H<1>}	116.5560	0.000	1	116.5560	0.000	1	116.3933	0.023	3	116.4180	0.286	6	117.1304	2.379	123	117.1688	2.898	134
371	217	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:3:	3:2:1:	3:2:3:	C[6a]-3:N[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:N[6]-3:	N[6a](C[6a]C[6a]N[6])(N[6a]C[6a]H)	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(N[6]C[6]2)	N[6a](C[6a]C[6a]N[6])(N[6a]C[6a]H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H){1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(N[6]C[6]2){2|C<3>,2|C<4>,5|H<1>}	115.4830	0.000	1	115.4830	0.000	1	115.4830	0.000	1	116.4180	0.286	6	117.1304	2.379	123	117.1688	2.898	134
371	217	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:3:	3:2:1:	3:2:4:	C[6a]-3:N[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[5a,6a]C)(N[6a]C[6a]H)	N[6a](C[6a]C[5a,6a]O)(N[6a]C[6a])(H)	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]N[6a])(CH3)	N[6a](C[6a]C[5a,6a]C)(N[6a]C[6a]H){1|C<3>,1|O<1>,1|S<2>}	N[6a](C[6a]C[5a,6a]O)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|N<2>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]N[6a])(CH3){1|H<1>,1|N<2>,2|C<3>}	117.7580	0.000	1	117.7580	0.000	1	117.7580	0.000	1	117.5385	0.096	2	117.1304	2.379	123	117.1688	2.898	134
371	217	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:3:	3:2:1:	3:2:4:	C[6a]-3:N[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)(N[6a]C[6a]H)	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(CH3)	N[6a](C[6a]C[6a]C)(N[6a]C[6a]H){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(CH3){1|C<3>,2|H<1>}	117.3190	0.000	1	117.3190	0.000	1	117.3190	0.000	1	117.5385	0.096	2	117.1304	2.379	123	117.1688	2.898	134
371	217	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:3:	3:2:1:	3:3:2:	C[6a]-3:N[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	N[6a](C[6a]C[5a,6a]C[5a])(N[6a]C[6a]H)	N[6a](C[6a]C[5a,6a]C[5a])(N[6a]C[6a])(H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a]C[5a]O[5a])(N[6a]N[6a])	N[6a](C[6a]C[5a,6a]C[5a])(N[6a]C[6a]H){1|O<2>,4|C<3>}	N[6a](C[6a]C[5a,6a]C[5a])(N[6a]C[6a])(H){1|O<2>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a]C[5a]O[5a])(N[6a]N[6a]){3|H<1>,5|C<3>}	120.8805	6.328	2	120.8805	40.042	2	120.8805	40.042	2	117.7930	8.245	9	117.1304	2.379	123	117.1688	2.898	134
371	217	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:3:	3:2:1:	3:3:2:	C[6a]-3:N[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[5a,6a]C[6a])(N[6a]C[6a]H)	N[6a](C[6a]C[5a,6a]O)(N[6a]C[6a])(H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(N[6a]N[6a])	N[6a](C[6a]C[5a,6a]C[6a])(N[6a]C[6a]H){1|O<1>,4|C<3>}	N[6a](C[6a]C[5a,6a]O)(N[6a]C[6a])(H){1|N<3>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(N[6a]N[6a]){1|N<2>,1|N<3>,3|C<3>,4|H<1>}	117.5260	0.000	1	117.5260	0.000	1	117.5260	0.000	1	117.7930	8.245	9	117.1304	2.379	123	117.1688	2.898	134
371	217	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:3:	3:2:1:	3:3:2:	C[6a]-3:N[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a,6a]-3:N[5a]-3:N[6a]-2:	N[6a](C[6a]C[6a,6a]N[5a])(N[6a]C[6a]H)	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]N[5a])(N[6a]N[6a])	N[6a](C[6a]C[6a,6a]N[5a])(N[6a]C[6a]H){1|N<2>,1|O<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a])(H){1|N<3>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]N[5a])(N[6a]N[6a]){1|C<4>,2|H<1>,5|C<3>}	116.7130	0.000	1	116.7130	0.000	1	116.7130	0.000	1	117.7930	8.245	9	117.1304	2.379	123	117.1688	2.898	134
371	217	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:3:	3:2:1:	3:3:2:	C[6a]-3:N[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]2)(N[6a]C[6a]H)	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]N[6a])	N[6a](C[6a]C[6a]2)(N[6a]C[6a]H){1|H<1>,1|O<1>,3|C<3>}	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]N[6a]){1|C<4>,3|C<3>,3|H<1>}	116.4890	0.000	1	116.9848	0.153	4	116.9848	0.153	4	117.7930	8.245	9	117.1304	2.379	123	117.1688	2.898	134
371	217	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:3:	3:2:1:	3:3:2:	C[6a]-3:N[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]2)(N[6a]C[6a]H)	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]N[6a])	N[6a](C[6a]C[6a]2)(N[6a]C[6a]H){1|H<1>,1|O<1>,3|C<3>}	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]N[6a]){3|C<3>,4|H<1>}	117.2970	0.035	2	116.9848	0.153	4	116.9848	0.153	4	117.7930	8.245	9	117.1304	2.379	123	117.1688	2.898	134
371	217	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:3:	3:2:1:	3:3:2:	C[6a]-3:N[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]2)(N[6a]C[6a]H)	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]N[6a])	N[6a](C[6a]C[6a]2)(N[6a]C[6a]H){1|H<1>,1|O<1>,3|C<3>}	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H){3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]N[6a]){3|H<1>,4|C<3>}	116.8560	0.000	1	116.9848	0.153	4	116.9848	0.153	4	117.7930	8.245	9	117.1304	2.379	123	117.1688	2.898	134
371	217	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:3:	3:2:1:	3:3:2:	C[6a]-3:N[6a]-3:	C[6a]-3:N[6a]-2:H-1:	N[5a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]N[5a])(N[6a]C[6a]H)	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]N[6a])	N[6a](C[6a]C[6a]N[5a])(N[6a]C[6a]H){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]N[6a]){1|C<4>,2|H<1>,3|C<3>}	116.1980	0.000	1	116.1980	0.000	1	116.1980	0.000	1	117.7930	8.245	9	117.1304	2.379	123	117.1688	2.898	134
371	217	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:3:	3:2:1:	3:4:2:	C[6a]-3:N[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a,6a]-3:C-4:N[6a]-2:	N[6a](C[6a]C[6a,6a]C)(N[6a]C[6a]H)	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(CC[6a]C[5]H)(N[6a]N[6a])	N[6a](C[6a]C[6a,6a]C)(N[6a]C[6a]H){1|O<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a])(H){1|C<4>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(CC[6a]C[5]H)(N[6a]N[6a]){2|H<1>,3|C<3>}	118.0560	0.000	1	118.0560	0.000	1	118.0560	0.000	1	118.0560	0.000	1	117.1304	2.379	123	117.1688	2.898	134
371	217	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:N[6a]-3:	B[6a]-3:N[6a]-2:C-3:	C[6a,6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a,6a]H)(N[6a]B[6a]C)	N[6a](B[6a]C[6a,6a]O)(N[6a]C[6a])(CNO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(H)	N[6a](C[6a]C[6a,6a]H)(N[6a]B[6a]C){1|O<2>,2|C<3>}	N[6a](B[6a]C[6a,6a]O)(N[6a]C[6a])(CNO){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(H){1|B<3>,1|H<1>,3|C<3>}	117.1300	0.000	1	117.1300	0.000	1	117.1300	0.000	1	116.9490	1.471	3	117.1304	2.379	123	117.1688	2.898	134
371	217	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:N[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a,6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]C)	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a])(CNN)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(H)	N[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]C){1|O<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a])(CNN){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(H){1|H<1>,4|C<3>}	118.0610	0.000	1	118.0610	0.000	1	118.0610	0.000	1	116.9490	1.471	3	117.1304	2.379	123	117.1688	2.898	134
371	217	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:N[6a]-3:	C[6a]-3:N[6a]-2:C[5]-3:	C[6a,6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]C[5])	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a])(C[5]N[5]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(H)	N[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]C[5]){1|N<2>,1|N<3>,1|O<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a])(C[5]N[5]2){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(H){1|H<1>,4|C<3>}	115.6560	0.000	1	115.6560	0.000	1	115.6560	0.000	1	116.9490	1.471	3	117.1304	2.379	123	117.1688	2.898	134
371	217	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:3:	3:2:3:	3:3:2:	C[6a]-3:N[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[5a,6a]C[6a])(N[6a]C[6a]N)	N[6a](C[6a]C[5a,6a]C)(N[6a]C[6a])(NCH)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(N[6a]N[6a])	N[6a](C[6a]C[5a,6a]C[6a])(N[6a]C[6a]N){1|C<4>,1|N<2>,3|C<3>}	N[6a](C[6a]C[5a,6a]C)(N[6a]C[6a])(NCH){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>}	117.7320	0.000	1	117.7320	0.000	1	117.7320	0.000	1	117.7320	0.000	1	117.1304	2.379	123	117.1688	2.898	134
371	217	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:3:	3:2:4:	2:2:2:	C[6a]-3:N[6a]-3:	C[6a]-3:N[6a]-2:C-4:	N[6a]-2:N[6a]-2:O-2:	N[6a](C[6a]N[6a]O)(N[6a]C[6a]C)	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CC3)	C[6a](N[6a]C[6a])(N[6a]N[6a])(OH)	N[6a](C[6a]N[6a]O)(N[6a]C[6a]C){1|C<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CC3){1|C<3>,1|N<2>,1|O<2>}	C[6a](N[6a]C[6a])(N[6a]N[6a])(OH){1|C<4>,2|C<3>}	117.2030	0.000	1	117.2030	0.000	1	117.2030	0.000	1	117.2030	0.000	1	117.1304	2.379	123	117.1688	2.898	134
371	217	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:3:	3:2:4:	3:2:1:	C[6a]-3:N[6a]-3:	B[6a]-3:N[6a]-2:C-4:	C[6a,6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a,6a]H)(N[6a]B[6a]C)	N[6a](B[6a]C[6a,6a]O)(N[6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(H)	N[6a](C[6a]C[6a,6a]H)(N[6a]B[6a]C){1|O<2>,2|C<3>}	N[6a](B[6a]C[6a,6a]O)(N[6a]C[6a])(CH3){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(H){1|B<3>,1|C<4>,1|H<1>,2|C<3>}	118.0600	0.000	1	118.0600	0.000	1	118.0600	0.000	1	117.1188	0.649	19	117.1304	2.379	123	117.1688	2.898	134
371	217	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:3:	3:2:4:	3:2:1:	C[6a]-3:N[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a,6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]C)	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a])(CCHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(H)	N[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]C){1|O<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a])(CCHH){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(H){1|C<4>,1|H<1>,3|C<3>}	116.6072	0.671	5	116.6072	0.450	5	116.6072	0.450	5	117.1188	0.649	19	117.1304	2.379	123	117.1688	2.898	134
371	217	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:3:	3:2:4:	3:2:1:	C[6a]-3:N[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:Br-1:	N[6a](C[6a]C[6a]Br)(N[6a]C[6a]C)	N[6a](C[6a]N[6a]N)(N[6a]C[6a])(CC[6a]HH)	C[6a](C[6a]N[6a]O)(N[6a]N[6a])(Br)	N[6a](C[6a]C[6a]Br)(N[6a]C[6a]C){1|N<2>,1|N<3>,1|O<1>}	N[6a](C[6a]N[6a]N)(N[6a]C[6a])(CC[6a]HH){1|Br<1>,1|C<3>}	C[6a](C[6a]N[6a]O)(N[6a]N[6a])(Br){1|C<3>,1|C<4>}	116.8733	0.331	3	116.8733	0.109	3	116.8733	0.109	3	117.1188	0.649	19	117.1304	2.379	123	117.1688	2.898	134
371	217	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:3:	3:2:4:	3:2:1:	C[6a]-3:N[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:Cl-1:	N[6a](C[6a]C[6a]Cl)(N[6a]C[6a]C)	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CC[6a]HH)	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(N[6a]C[6a]C){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CC[6a]HH){1|Cl<1>,1|C<3>,1|S<2>}	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(Cl){1|C<3>,1|C<4>,1|S<2>}	115.6280	0.000	1	115.6280	0.000	1	115.6280	0.000	1	117.1188	0.649	19	117.1304	2.379	123	117.1688	2.898	134
371	217	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:3:	3:2:4:	3:2:1:	C[6a]-3:N[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CCHH)	C[6a](C[6a]C[6a]N)(N[6a]N[6a])(H)	N[6a](C[6a]C[6a]H)(N[6a]C[6a]C){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CCHH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]N[6a])(H){1|Cl<1>,1|C<3>,1|C<4>}	117.9750	0.171	2	117.9750	0.029	2	117.6811	0.302	8	117.1188	0.649	19	117.1304	2.379	123	117.1688	2.898	134
371	217	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:3:	3:2:4:	3:2:1:	C[6a]-3:N[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CC[5a]HH)	C[6a](C[6a]C[6a]N[6])(N[6a]N[6a])(H)	N[6a](C[6a]C[6a]H)(N[6a]C[6a]C){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CC[5a]HH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]N[6])(N[6a]N[6a])(H){1|Cl<1>,1|C<3>,3|C<4>}	116.6760	0.000	1	116.6760	0.000	1	117.6811	0.302	8	117.1188	0.649	19	117.1304	2.379	123	117.1688	2.898	134
371	217	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:3:	3:2:4:	3:2:1:	C[6a]-3:N[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CC[6a]HH)	C[6a](C[6a]C[6a]Br)(N[6a]N[6a])(H)	N[6a](C[6a]C[6a]H)(N[6a]C[6a]C){1|Br<1>,1|C<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CC[6a]HH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(N[6a]N[6a])(H){1|C<3>,1|C<4>,1|H<1>}	118.4020	0.000	1	118.4020	0.000	1	117.6811	0.302	8	117.1188	0.649	19	117.1304	2.379	123	117.1688	2.898	134
371	217	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:3:	3:2:4:	3:2:1:	C[6a]-3:N[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CC[6a]HH)	C[6a](C[6a]C[6a]O)(N[6a]N[6a])(H)	N[6a](C[6a]C[6a]H)(N[6a]C[6a]C){1|C<3>,1|O<1>,1|O<2>}	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]O)(N[6a]N[6a])(H){1|C<3>,2|C<4>}	117.5130	0.360	3	117.5130	0.130	3	117.6811	0.302	8	117.1188	0.649	19	117.1304	2.379	123	117.1688	2.898	134
371	217	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:3:	3:2:4:	3:2:1:	C[6a]-3:N[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CH3)	C[6a](C[6a]C[6a]Cl)(N[6a]N[6a])(H)	N[6a](C[6a]C[6a]H)(N[6a]C[6a]C){1|Cl<1>,1|C<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CH3){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(N[6a]N[6a])(H){1|Cl<1>,1|C<3>,1|C<4>}	117.8820	0.000	1	117.8820	0.000	1	117.6811	0.302	8	117.1188	0.649	19	117.1304	2.379	123	117.1688	2.898	134
371	217	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:3:	3:2:4:	3:2:1:	C[6a]-3:N[6a]-3:	C[6a]-3:N[6a]-2:S-4:	C[6a,6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]S)	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a])(SC[6a]OO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(H)	N[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]S){1|O<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a])(SC[6a]OO){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(H){1|H<1>,1|S<4>,3|C<3>}	116.4650	0.000	1	116.4650	0.000	1	116.4650	0.000	1	117.1188	0.649	19	117.1304	2.379	123	117.1688	2.898	134
371	217	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:3:	3:2:4:	3:2:2:	C[6a]-3:N[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a,6a]-3:N[6a]-2:O-2:	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a]C)	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a])(CC3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(OC)	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a]C){1|O<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a])(CC3){1|O<2>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(OC){1|C<4>,1|H<1>,3|C<3>}	118.2260	0.000	1	118.2260	0.000	1	118.2260	0.000	1	117.0683	1.400	3	117.1304	2.379	123	117.1688	2.898	134
371	217	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:3:	3:2:4:	3:2:2:	C[6a]-3:N[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:O-2:	N[6a](C[6a]C[6a]O)(N[6a]C[6a]C)	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CC[6a]HH)	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(OC)	N[6a](C[6a]C[6a]O)(N[6a]C[6a]C){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CC[6a]HH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(OC){1|C<3>,1|C<4>,1|H<1>}	115.8610	0.000	1	115.8610	0.000	1	116.4895	0.790	2	117.0683	1.400	3	117.1304	2.379	123	117.1688	2.898	134
371	217	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:3:	3:2:4:	3:2:2:	C[6a]-3:N[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:O-2:	N[6a](C[6a]C[6a]O)(N[6a]C[6a]C)	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CN[6]HH)	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(OH)	N[6a](C[6a]C[6a]O)(N[6a]C[6a]C){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CN[6]HH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(OH){1|C<3>,1|C<4>,1|H<1>}	117.1180	0.000	1	117.1180	0.000	1	116.4895	0.790	2	117.0683	1.400	3	117.1304	2.379	123	117.1688	2.898	134
371	217	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:3:	3:2:4:	3:2:3:	C[6a]-3:N[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:N[6]-3:	N[6a](C[6a]C[6a]N[6])(N[6a]C[6a]C)	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CCHH)	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(N[6]C[6]2)	N[6a](C[6a]C[6a]N[6])(N[6a]C[6a]C){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CCHH){1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(N[6]C[6]2){2|C<3>,3|C<4>,4|H<1>}	116.0100	0.000	1	116.0100	0.000	1	116.0100	0.000	1	116.0100	0.000	1	117.1304	2.379	123	117.1688	2.898	134
371	217	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:3:	3:2:4:	3:2:4:	C[6a]-3:N[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)(N[6a]C[6a]C)	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CCHH)	C[6a](C[6a]C[6a]C)(N[6a]N[6a])(CH3)	N[6a](C[6a]C[6a]C)(N[6a]C[6a]C){1|C<3>,1|C<4>,1|O<1>}	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CCHH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]N[6a])(CH3){1|C<3>,1|C<4>,1|H<1>}	118.2405	0.370	2	118.2405	0.137	2	118.5473	0.351	3	118.5473	0.351	3	117.1304	2.379	123	117.1688	2.898	134
371	217	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:3:	3:2:4:	3:2:4:	C[6a]-3:N[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)(N[6a]C[6a]C)	N[6a](C[6a]N[6a]O)(N[6a]C[6a])(CHHO)	C[6a](C[6a]N[6a]O)(N[6a]N[6a])(CCHH)	N[6a](C[6a]C[6a]C)(N[6a]C[6a]C){1|N<3>,2|O<1>}	N[6a](C[6a]N[6a]O)(N[6a]C[6a])(CHHO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]N[6a]O)(N[6a]N[6a])(CCHH){1|C<3>,1|C<4>,1|H<1>}	119.1610	0.000	1	119.1610	0.000	1	118.5473	0.351	3	118.5473	0.351	3	117.1304	2.379	123	117.1688	2.898	134
371	217	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:3:	3:2:4:	3:3:2:	C[6a]-3:N[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[5a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[5a]C[6a])(N[6a]C[6a]C)	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CC[6a]HH)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6a]N[6a])	N[6a](C[6a]C[5a]C[6a])(N[6a]C[6a]C){1|H<1>,1|O<1>,3|C<3>}	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CC[6a]HH){1|H<1>,2|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6a]N[6a]){1|H<1>,1|N<2>,1|N<3>,2|C<3>,2|C<4>}	118.3300	0.000	1	118.3300	0.000	1	118.3300	0.000	1	118.0420	1.157	10	117.1304	2.379	123	117.1688	2.898	134
371	217	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:3:	3:2:4:	3:3:2:	C[6a]-3:N[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]2)(N[6a]C[6a]C)	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CCHH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]N[6a])	N[6a](C[6a]C[6a]2)(N[6a]C[6a]C){1|H<1>,1|O<1>,3|C<3>}	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CCHH){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]N[6a]){2|C<4>,2|H<1>,3|C<3>}	117.3115	0.344	4	117.3115	0.118	4	118.0100	1.291	9	118.0420	1.157	10	117.1304	2.379	123	117.1688	2.898	134
371	217	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:3:	3:2:4:	3:3:2:	C[6a]-3:N[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]2)(N[6a]C[6a]C)	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CCHH)	C[6a](C[6a]C[6a]2)2(N[6a]N[6a])	N[6a](C[6a]C[6a]2)(N[6a]C[6a]C){1|O<1>,4|C<3>}	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CCHH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)2(N[6a]N[6a]){1|C<4>,3|H<1>,5|C<3>}	118.2397	0.721	3	118.2397	0.519	3	118.0100	1.291	9	118.0420	1.157	10	117.1304	2.379	123	117.1688	2.898	134
371	217	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:3:	3:2:4:	3:3:2:	C[6a]-3:N[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]2)(N[6a]C[6a]C)	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CC[6a]HH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]N[6a])	N[6a](C[6a]C[6a]2)(N[6a]C[6a]C){1|H<1>,1|O<1>,3|C<3>}	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CC[6a]HH){3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]N[6a]){1|C<4>,2|H<1>,4|C<3>}	117.5450	0.000	1	117.5450	0.000	1	118.0100	1.291	9	118.0420	1.157	10	117.1304	2.379	123	117.1688	2.898	134
371	217	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:3:	3:2:4:	3:3:2:	C[6a]-3:N[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]2)(N[6a]C[6a]C)	N[6a](C[6a]N[6a]O)(N[6a]C[6a])(CHHO)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]O)(N[6a]N[6a])	N[6a](C[6a]C[6a]2)(N[6a]C[6a]C){1|N<3>,2|C<3>,2|O<1>}	N[6a](C[6a]N[6a]O)(N[6a]C[6a])(CHHO){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]O)(N[6a]N[6a]){1|C<4>,3|C<3>,3|H<1>}	120.5800	0.000	1	120.5800	0.000	1	118.0100	1.291	9	118.0420	1.157	10	117.1304	2.379	123	117.1688	2.898	134
371	217	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:3:	3:3:2:	2:2:4:	N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:C-4:	N[6a](N[6a]C[6a,6a]C[6a])(C[6a]N[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(N[6a]N[6a])(CF3)	N[6a](N[6a]C[6a,6a]C[6a])(C[6a]N[6a]C){4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|C<4>,1|N<2>,3|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a])(N[6a]N[6a])(CF3){3|C<3>}	116.2580	0.000	1	116.2580	0.000	1	116.2580	0.000	1	116.2580	0.000	1	117.1304	2.379	123	117.1688	2.898	134
371	217	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:3:	3:3:2:	2:3:2:	N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:N[6a]-2:	N[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]N[6a])	N[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a]){6|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|H<1>,1|N<2>,2|F<1>,5|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]N[6a]){2|H<1>,5|C<3>}	116.6580	0.000	1	115.1287	0.959	6	115.1287	0.959	6	115.1287	0.959	6	117.1304	2.379	123	117.1688	2.898	134
371	217	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:3:	3:3:2:	2:3:2:	N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:N[6a]-2:	N[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]N[6a])	N[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a]){6|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,3|H<1>,5|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]N[6a]){2|H<1>,5|C<3>}	114.8228	0.705	5	115.1287	0.959	6	115.1287	0.959	6	115.1287	0.959	6	117.1304	2.379	123	117.1688	2.898	134
371	217	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(N[6a]C[6a])	C[6a](C[6a]C[6a]Cl)(N[6a]N[6a])(H)	N[6a](C[6a]C[6a]H)(N[6a]C[6a]2){1|Cl<1>,1|O<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(N[6a]C[6a]){1|Cl<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]Cl)(N[6a]N[6a])(H){1|Cl<1>,2|C<3>}	117.1300	0.000	1	117.1300	0.000	1	117.1300	0.000	1	117.1300	0.000	1	117.1304	2.379	123	117.1688	2.898	134
371	217	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:3:	3:3:2:	3:2:2:	C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:O-2:	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(OC[5])	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a]2){1|O<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(N[6a]C[6a]){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(OC[5]){1|H<1>,4|C<3>}	118.0490	0.000	1	118.0490	0.000	1	117.4427	0.276	3	117.2662	0.308	4	117.1304	2.379	123	117.1688	2.898	134
371	217	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:3:	3:3:2:	3:2:2:	C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:O-2:	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(OH)	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a]2){1|O<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(N[6a]C[6a]){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(OH){1|H<1>,4|C<3>}	117.1395	0.023	2	117.1395	0.001	2	117.4427	0.276	3	117.2662	0.308	4	117.1304	2.379	123	117.1688	2.898	134
371	217	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:3:	3:3:2:	3:2:2:	C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:O-2:	N[6a](C[6a]C[6a]O)(N[6a]C[6a]2)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(OC)	N[6a](C[6a]C[6a]O)(N[6a]C[6a]2){1|H<1>,1|O<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(OC){1|H<1>,2|C<3>}	116.7370	0.000	1	116.7370	0.000	1	116.7370	0.000	1	117.2662	0.308	4	117.1304	2.379	123	117.1688	2.898	134
371	217	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:3:	3:3:2:	3:2:4:	C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[5a,6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[5a,6a]C)(N[6a]C[6a]2)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]N[6a])(CH3)	N[6a](C[6a]C[5a,6a]C)(N[6a]C[6a]2){1|O<1>,4|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(N[6a]C[6a]){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]N[6a])(CH3){1|C<4>,1|N<2>,1|O<2>,2|C<3>}	119.6120	0.000	1	119.6120	0.000	1	119.3723	0.143	3	118.8426	0.705	5	117.1304	2.379	123	117.1688	2.898	134
371	217	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:3:	3:3:2:	3:2:4:	C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[5a,6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[5a,6a]C)(N[6a]C[6a]2)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(N[6a]N[6a])(CH3)	N[6a](C[6a]C[5a,6a]C)(N[6a]C[6a]2){1|O<1>,1|O<2>,3|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(N[6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(N[6a]N[6a])(CH3){1|N<2>,3|C<3>}	119.5690	0.000	1	119.5690	0.000	1	119.3723	0.143	3	118.8426	0.705	5	117.1304	2.379	123	117.1688	2.898	134
371	217	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:3:	3:3:2:	3:2:4:	C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[5a,6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[5a,6a]C)(N[6a]C[6a]2)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]N[6a])(CH3)	N[6a](C[6a]C[5a,6a]C)(N[6a]C[6a]2){1|O<1>,1|S<2>,3|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(N[6a]C[6a]){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]N[6a])(CH3){1|N<2>,3|C<3>}	118.9360	0.000	1	118.9360	0.000	1	119.3723	0.143	3	118.8426	0.705	5	117.1304	2.379	123	117.1688	2.898	134
371	217	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:3:	3:3:2:	3:2:4:	C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a,6a]C)(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(N[6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(CH3)	N[6a](C[6a]C[6a,6a]C)(N[6a]C[6a]2){1|O<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(CH3){1|H<1>,4|C<3>}	117.5850	0.000	1	117.5850	0.000	1	117.5850	0.000	1	118.8426	0.705	5	117.1304	2.379	123	117.1688	2.898	134
371	217	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:3:	3:3:2:	3:2:4:	N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:C-4:	N[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C)	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]N[6a])(CH3)	N[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C){5|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]N[6a])(CH3){1|H<1>,4|C<3>}	118.5110	0.000	1	118.5110	0.000	1	118.5110	0.000	1	118.8426	0.705	5	117.1304	2.379	123	117.1688	2.898	134
371	217	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[5a,6a]C[6a])(N[6a]C[6a]2)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(N[6a]N[6a])	N[6a](C[6a]C[5a,6a]C[6a])(N[6a]C[6a]2){1|O<1>,6|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(N[6a]N[6a]){1|N<2>,1|N<3>,2|H<1>,5|C<3>}	120.8080	0.561	2	120.8080	0.315	2	120.8080	0.315	2	118.6075	1.991	8	117.1304	2.379	123	117.1688	2.898	134
371	217	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]2)(N[6a]C[6a]2)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]N[6a])	N[6a](C[6a]C[6a]2)(N[6a]C[6a]2){1|H<1>,1|O<1>,5|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]N[6a]){3|H<1>,4|C<3>}	117.4585	0.206	2	117.4585	0.042	2	117.4585	0.042	2	118.6075	1.991	8	117.1304	2.379	123	117.1688	2.898	134
371	217	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	N[5a,6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]N[5a,6a]C[6a])(N[6a]C[6a]2)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(N[6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(N[6a]N[6a])	N[6a](C[6a]N[5a,6a]C[6a])(N[6a]C[6a]2){1|O<1>,6|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(N[6a]C[6a]){1|Cl<1>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(N[6a]N[6a]){1|N<2>,2|H<1>,6|C<3>}	118.1880	0.112	2	118.0817	0.049	4	118.0817	0.049	4	118.6075	1.991	8	117.1304	2.379	123	117.1688	2.898	134
371	217	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	N[5a,6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]N[5a,6a]C[6a])(N[6a]C[6a]2)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(N[6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(N[6a]N[6a])	N[6a](C[6a]N[5a,6a]C[6a])(N[6a]C[6a]2){1|O<1>,6|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(N[6a]C[6a]){1|F<1>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(N[6a]N[6a]){1|N<2>,2|H<1>,6|C<3>}	118.1870	0.000	1	118.0817	0.049	4	118.0817	0.049	4	118.6075	1.991	8	117.1304	2.379	123	117.1688	2.898	134
371	217	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	N[5a,6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]N[5a,6a]C[6a])(N[6a]C[6a]2)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(N[6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(N[6a]N[6a])	N[6a](C[6a]N[5a,6a]C[6a])(N[6a]C[6a]2){1|O<1>,6|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(N[6a]C[6a]){2|Cl<1>,1|N<2>,1|N<3>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(N[6a]N[6a]){1|N<2>,2|H<1>,6|C<3>}	117.7640	0.000	1	118.0817	0.049	4	118.0817	0.049	4	118.6075	1.991	8	117.1304	2.379	123	117.1688	2.898	134
371	217	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:3:	4:3:2:	3:2:1:	C[6a]-3:N[6a]-3:	C[5]-4:C[6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]C[5])	N[6a](C[5]C[5,6a]O[5]H)(C[6a]C[6a,6a]O)(N[6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(H)	N[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]C[5]){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	N[6a](C[5]C[5,6a]O[5]H)(C[6a]C[6a,6a]O)(N[6a]C[6a]){1|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(H){1|C<4>,1|H<1>,3|C<3>}	116.3350	0.000	1	116.3350	0.000	1	116.3350	0.000	1	117.7860	0.700	6	117.1304	2.379	123	117.1688	2.898	134
371	217	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:3:	4:3:2:	3:2:1:	N[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)	N[6a](C[5]C[5]O[5]H)(C[6a]N[6a]O)(N[6a]C[6a])	C[6a](C[6a]N[6a]O)(N[6a]N[6a])(H)	N[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	N[6a](C[5]C[5]O[5]H)(C[6a]N[6a]O)(N[6a]C[6a]){1|C<3>,1|F<1>,2|C<4>,3|H<1>}	C[6a](C[6a]N[6a]O)(N[6a]N[6a])(H){1|C<3>,1|C<4>,1|H<1>}	118.1510	0.566	2	118.0160	0.301	4	118.0160	0.301	4	117.7860	0.700	6	117.1304	2.379	123	117.1688	2.898	134
371	217	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:3:	4:3:2:	3:2:1:	N[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)	N[6a](C[5]C[5]O[5]H)(C[6a]N[6a]O)(N[6a]C[6a])	C[6a](C[6a]N[6a]O)(N[6a]N[6a])(H)	N[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	N[6a](C[5]C[5]O[5]H)(C[6a]N[6a]O)(N[6a]C[6a]){1|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]N[6a]O)(N[6a]N[6a])(H){1|C<3>,1|C<4>,1|H<1>}	118.3860	0.000	1	118.0160	0.301	4	118.0160	0.301	4	117.7860	0.700	6	117.1304	2.379	123	117.1688	2.898	134
371	217	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:3:	4:3:2:	3:2:1:	N[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)	N[6a](C[5]C[5]O[5]H)(C[6a]N[6a]O)(N[6a]C[6a])	C[6a](C[6a]N[6a]O)(N[6a]N[6a])(H)	N[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	N[6a](C[5]C[5]O[5]H)(C[6a]N[6a]O)(N[6a]C[6a]){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]N[6a]O)(N[6a]N[6a])(H){1|C<4>,2|C<3>}	117.3760	0.000	1	118.0160	0.301	4	118.0160	0.301	4	117.7860	0.700	6	117.1304	2.379	123	117.1688	2.898	134
371	217	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:3:	4:3:2:	3:2:1:	N[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](N[6a]C[6a]C[6])(C[6a]C[6a]H)	N[6a](C[6]C[6]O[6]H)(C[6a]C[6a]O)(N[6a]C[6a])	C[6a](C[6a]C[6a]N)(N[6a]N[6a])(H)	N[6a](N[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	N[6a](C[6]C[6]O[6]H)(C[6a]C[6a]O)(N[6a]C[6a]){1|C<3>,1|S<2>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]N[6a])(H){1|C<3>,1|C<4>,1|S<2>}	118.3170	0.000	1	118.3170	0.000	1	118.3170	0.000	1	117.7860	0.700	6	117.1304	2.379	123	117.1688	2.898	134
371	217	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:3:	4:3:2:	3:2:4:	N[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-4:	N[6a](N[6a]C[6a]C[5])(C[6a]C[6a]C)	N[6a](C[5]C[5]O[5]H)(C[6a]N[6a]N)(N[6a]C[6a])	C[6a](C[6a]N[6a]O)(N[6a]N[6a])(CH3)	N[6a](N[6a]C[6a]C[5])(C[6a]C[6a]C){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|O<2>}	N[6a](C[5]C[5]O[5]H)(C[6a]N[6a]N)(N[6a]C[6a]){1|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]N[6a]O)(N[6a]N[6a])(CH3){1|C<3>,1|C<4>}	118.5100	0.000	1	118.5100	0.000	1	118.5100	0.000	1	118.5100	0.000	1	117.1304	2.379	123	117.1688	2.898	134
371	217	727	6:SP2_SP2_SP2	N[6a]	N[6a]	C[5a,6a]	3:3:	2:2:1:	3:2:2:	C[5a,6a]-3:N[6a]-3:	N[6a]-2:N[6a]-2:O-1:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	N[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]N[6a]O)	N[6a](N[6a]C[5a,6a])(N[6a]C[6a])(O)	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]N[6a])	N[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]N[6a]O){1|N<2>,2|C<3>}	N[6a](N[6a]C[5a,6a])(N[6a]C[6a])(O){1|N<2>,1|N<3>,1|O<1>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]N[6a]){1|N<2>,1|N<3>,2|O<1>}	112.9410	0.000	1	112.9410	0.000	1	112.9410	0.000	1	112.9410	0.000	1	112.9410	0.000	1	112.9410	0.000	1
371	371	371	6:SP2_SP2_SP2	N[6a]	N[6a]	N[6a]	2:2:	3:2:	3:2:	N[6a]-2:N[6a]-2:	C[5a,6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	N[6a](N[6a]C[5a,6a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]N[6a])	N[6a](C[6a]C[5a,6a]N)(N[6a]N[6a])	N[6a](N[6a]C[5a,6a])(N[6a]C[6a]){1|C<3>,2|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]N[6a]){1|C<4>,1|N<2>,2|C<3>}	N[6a](C[6a]C[5a,6a]N)(N[6a]N[6a]){2|C<3>}	125.4035	0.230	2	125.4035	0.053	2	125.4035	0.053	2	123.0800	7.455	4	123.0800	7.455	4	123.0800	7.455	4
371	371	371	6:SP2_SP2_SP2	N[6a]	N[6a]	N[6a]	2:2:	3:2:	3:2:	N[6a]-2:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	N[6a](N[6a]C[6a])2	N[6a](C[6a]C[6a]2)(N[6a]N[6a])	N[6a](C[6a]C[6a]2)(N[6a]N[6a])	N[6a](N[6a]C[6a])2{3|C<3>}	N[6a](C[6a]C[6a]2)(N[6a]N[6a]){1|N<3>,3|C<3>}	N[6a](C[6a]C[6a]2)(N[6a]N[6a]){1|N<3>,3|C<3>}	120.1580	0.000	1	120.1580	0.000	1	120.7565	0.716	2	123.0800	7.455	4	123.0800	7.455	4	123.0800	7.455	4
371	371	371	6:SP2_SP2_SP2	N[6a]	N[6a]	N[6a]	2:2:	3:2:	3:2:	N[6a]-2:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	N[6a](N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(N[6a]N[6a])	N[6a](C[6a]C[6a]N[6a])(N[6a]N[6a])	N[6a](N[6a]C[6a])2{1|N<2>,2|C<3>}	N[6a](C[6a]C[6a]N[6a])(N[6a]N[6a]){3|C<3>}	N[6a](C[6a]C[6a]N[6a])(N[6a]N[6a]){3|C<3>}	121.3550	0.000	1	121.3550	0.000	1	120.7565	0.716	2	123.0800	7.455	4	123.0800	7.455	4	123.0800	7.455	4
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6,6a]	3:2:	3:2:	3:2:3:	C[6,6a]-3:N[6a]-2:	C[6,6a]-3:N[6a]-2:	C[6,6a]-3:N[6a]-2:C[6]-3:	N[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6,6a])	N[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6,6a])	C[6,6a](C[6,6a]C[6,6a]N[6])(N[6a]N[6a])(C[6]C[6]H)	N[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6,6a]){1|H<1>,1|N<3>,3|C<3>}	N[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6,6a]){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6])(N[6a]N[6a])(C[6]C[6]H){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>}	120.0817	0.361	3	120.3592	0.231	5	120.3592	0.231	5	120.4443	0.228	6	120.4002	0.154	23	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6,6a]	3:2:	3:2:	3:2:3:	C[6,6a]-3:N[6a]-2:	C[6,6a]-3:N[6a]-2:	C[6,6a]-3:N[6a]-2:C[6]-3:	N[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6,6a])	N[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6,6a])	C[6,6a](C[6,6a]C[6,6a]N[6])(N[6a]N[6a])(C[6]C[6]H)	N[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6,6a]){1|H<1>,1|N<3>,3|C<3>}	N[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6,6a]){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6])(N[6a]N[6a])(C[6]C[6]H){1|Pd<6>,1|H<1>,1|N<3>,2|C<3>}	120.7755	0.289	2	120.3592	0.231	5	120.3592	0.231	5	120.4443	0.228	6	120.4002	0.154	23	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6,6a]	3:2:	3:2:	3:2:3:	C[6,6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:	N[6,6a]-3:N[6a]-2:C[6]-3:	N[6a](C[6,6a]N[6,6a]C[6])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6,6a])	C[6,6a](N[6,6a]C[6a,6a]C[6])(N[6a]N[6a])(C[6]C[6]H)	N[6a](C[6,6a]N[6,6a]C[6])(N[6a]C[6a,6a]){1|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6,6a]){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](N[6,6a]C[6a,6a]C[6])(N[6a]N[6a])(C[6]C[6]H){2|H<1>,3|C<3>}	120.8700	0.000	1	120.8700	0.000	1	120.8700	0.000	1	120.4443	0.228	6	120.4002	0.154	23	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6,6a]	3:2:	3:2:	3:4:2:	C[6,6a]-3:N[6a]-2:	C[6,6a]-3:N[6a]-2:	C[6,6a,6a]-3:C[6]-4:N[6a]-2:	N[6a](C[6,6a]C[6,6a,6a]C[6])(N[6a]C[6,6a])	N[6a](C[6,6a]C[6,6a,6a]C[6])(N[6a]C[6,6a])	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[6]C[6]HH)(N[6a]N[6a])	N[6a](C[6,6a]C[6,6a,6a]C[6])(N[6a]C[6,6a]){2|C<3>,2|C<4>,2|H<1>}	N[6a](C[6,6a]C[6,6a,6a]C[6])(N[6a]C[6,6a]){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[6]C[6]HH)(N[6a]N[6a]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	120.5397	0.432	6	120.5061	0.078	14	120.5061	0.078	14	120.3846	0.140	17	120.4002	0.154	23	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6,6a]	3:2:	3:2:	3:4:2:	C[6,6a]-3:N[6a]-2:	C[6,6a]-3:N[6a]-2:	C[6,6a,6a]-3:C[6]-4:N[6a]-2:	N[6a](C[6,6a]C[6,6a,6a]C[6])(N[6a]C[6,6a])	N[6a](C[6,6a]C[6,6a,6a]C[6])(N[6a]C[6,6a])	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[6]C[6]HH)(N[6a]N[6a])	N[6a](C[6,6a]C[6,6a,6a]C[6])(N[6a]C[6,6a]){2|C<3>,2|C<4>,2|H<1>}	N[6a](C[6,6a]C[6,6a,6a]C[6])(N[6a]C[6,6a]){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[6]C[6]HH)(N[6a]N[6a]){1|N<2>,2|C<3>,3|C<4>}	120.4810	0.098	8	120.5061	0.078	14	120.5061	0.078	14	120.3846	0.140	17	120.4002	0.154	23	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6,6a]	3:2:	3:2:	3:4:2:	C[6,6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6,6a]-3:C[6]-4:N[6a]-2:	N[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6,6a])	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[6]CC)(N[6a]N[6a])	N[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]){1|C<3>,1|N<2>,4|C<4>}	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6,6a]){1|C<4>,1|N<2>,2|C<3>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[6]CC)(N[6a]N[6a]){1|C<3>,2|H<1>,3|C<4>}	119.8173	0.161	3	119.8173	0.026	3	119.8173	0.026	3	120.3846	0.140	17	120.4002	0.154	23	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a,6a]	3:2:	2:3:	3:3:2:	C[6a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])	N[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]N[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]){1|C<4>,4|C<3>}	N[6a](N[6a]C[6a,6a])(C[6a]C[6a]2){5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]N[6a]){2|H<1>,3|C<3>}	119.3690	0.000	1	119.3690	0.000	1	119.3573	0.167	6	119.5826	0.296	8	119.9954	0.709	40	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a,6a]	3:2:	2:3:	3:3:2:	C[6a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])	N[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]N[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]){1|H<1>,4|C<3>}	N[6a](N[6a]C[6a,6a])(C[6a]C[6a]2){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]N[6a]){2|C<3>,3|H<1>}	119.8400	0.000	1	119.7925	0.005	2	119.3573	0.167	6	119.5826	0.296	8	119.9954	0.709	40	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a,6a]	3:2:	2:3:	3:3:2:	C[6a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])	N[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]N[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]){1|H<1>,4|C<3>}	N[6a](N[6a]C[6a,6a])(C[6a]C[6a]2){1|N<3>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]N[6a]){1|N<3>,2|C<3>,2|H<1>}	119.7450	0.000	1	119.7925	0.005	2	119.3573	0.167	6	119.5826	0.296	8	119.9954	0.709	40	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a,6a]	3:2:	2:3:	3:3:2:	C[6a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])	N[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(N[6a]N[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]){1|C<4>,1|N<2>,3|C<3>}	N[6a](N[6a]C[6a,6a])(C[6a]N[6a]C){2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(N[6a]N[6a]){2|C<3>,2|H<1>}	119.4120	0.000	1	119.4120	0.000	1	119.3573	0.167	6	119.5826	0.296	8	119.9954	0.709	40	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a,6a]	3:2:	2:3:	3:3:2:	C[6a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])	N[6a](N[6a]C[6a,6a])(C[6a]N[6a]I)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]N[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]){1|H<1>,1|I<1>,1|N<2>,2|C<3>}	N[6a](N[6a]C[6a,6a])(C[6a]N[6a]I){2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]N[6a]){2|C<3>,2|H<1>}	118.9670	0.000	1	118.9670	0.000	1	119.3573	0.167	6	119.5826	0.296	8	119.9954	0.709	40	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a,6a]	3:2:	2:3:	3:3:2:	C[6a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])	N[6a](N[6a]C[6a,6a])(C[6a]N[6a]N)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]N[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[6a](N[6a]C[6a,6a])(C[6a]N[6a]N){2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]N[6a]){2|C<3>,2|H<1>}	118.8110	0.000	1	118.8110	0.000	1	119.3573	0.167	6	119.5826	0.296	8	119.9954	0.709	40	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a,6a]	3:2:	2:3:	3:3:2:	C[6a,6a]-3:N[6a]-2:	N[6a]-2:N[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])	N[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]N[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a]){1|H<1>,4|C<3>}	N[6a](N[6a]C[6a,6a])(N[6a]C[6a]2){1|O<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]N[6a]){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	120.3500	0.000	1	120.3500	0.000	1	120.2585	0.017	2	119.5826	0.296	8	119.9954	0.709	40	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a,6a]	3:2:	2:3:	3:3:2:	C[6a,6a]-3:N[6a]-2:	N[6a]-2:N[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])	N[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]N[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a]){1|C<4>,1|H<1>,3|C<3>}	N[6a](N[6a]C[6a,6a])(N[6a]C[6a]C){1|O<1>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]N[6a]){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	120.1670	0.000	1	120.1670	0.000	1	120.2585	0.017	2	119.5826	0.296	8	119.9954	0.709	40	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a,6a]	3:2:	3:2:	3:2:2:	C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a])(N[6a]N[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a]){1|N<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a])(N[6a]N[6a]){4|C<3>}	120.2460	0.000	1	120.2460	0.000	1	120.2460	0.000	1	120.2460	0.000	1	119.9954	0.709	40	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a,6a]	3:2:	3:2:	3:3:2:	C[6a,6a]-3:N[6a]-2:	C[5,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]2)(N[6a]C[5,6a])	N[6a](C[5,6a]N[5,6a]S[5])(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]N[5,6a]C[6a])(N[6a]N[6a])	N[6a](C[6a,6a]C[6a,6a]2)(N[6a]C[5,6a]){1|N<3>,1|S<2>,3|C<3>}	N[6a](C[5,6a]N[5,6a]S[5])(N[6a]C[6a,6a]){4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]N[5,6a]C[6a])(N[6a]N[6a]){2|H<1>,5|C<3>}	120.1540	0.000	2	120.1540	0.000	2	120.1540	0.000	2	120.0938	0.795	31	119.9954	0.709	40	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a,6a]	3:2:	3:2:	3:3:2:	C[6a,6a]-3:N[6a]-2:	C[5,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5,6a])	N[6a](C[5,6a]N[5,6a]N[5])(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]N[5,6a]C[6a])(C[6a]C[6a]H)(N[6a]N[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5,6a]){1|H<1>,2|C<3>,2|N<3>}	N[6a](C[5,6a]N[5,6a]N[5])(N[6a]C[6a,6a]){1|Cd<6>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]N[5,6a]C[6a])(C[6a]C[6a]H)(N[6a]N[6a]){1|N<2>,2|C<3>,2|H<1>}	120.8690	0.000	1	121.0945	0.102	2	121.0945	0.102	2	120.0938	0.795	31	119.9954	0.709	40	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a,6a]	3:2:	3:2:	3:3:2:	C[6a,6a]-3:N[6a]-2:	C[5,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5,6a])	N[6a](C[5,6a]N[5,6a]N[5])(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]N[5,6a]C[6a])(C[6a]C[6a]H)(N[6a]N[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5,6a]){1|H<1>,2|C<3>,2|N<3>}	N[6a](C[5,6a]N[5,6a]N[5])(N[6a]C[6a,6a]){1|Mn<6>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]N[5,6a]C[6a])(C[6a]C[6a]H)(N[6a]N[6a]){1|N<2>,2|C<3>,2|H<1>}	121.3200	0.000	1	121.0945	0.102	2	121.0945	0.102	2	120.0938	0.795	31	119.9954	0.709	40	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a,6a]	3:2:	3:2:	3:3:2:	C[6a,6a]-3:N[6a]-2:	C[5a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]2)(N[6a]C[5a,6a])	N[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]N[5a,6a]C[6a])(N[6a]N[6a])	N[6a](C[6a,6a]C[6a,6a]2)(N[6a]C[5a,6a]){1|N<2>,1|N<3>,3|C<3>}	N[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a,6a]){1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]N[5a,6a]C[6a])(N[6a]N[6a]){1|N<2>,2|H<1>,4|C<3>}	120.3880	0.000	1	120.3880	0.000	1	120.3880	0.000	1	120.0938	0.795	31	119.9954	0.709	40	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a,6a]	3:2:	3:2:	3:3:2:	C[6a,6a]-3:N[6a]-2:	C[5a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a,6a])	N[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]N[6a]H)(N[6a]N[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a,6a]){1|H<1>,1|N<2>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a,6a]){1|H<1>,1|S<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]N[6a]H)(N[6a]N[6a]){1|H<1>,1|S<2>,2|C<3>}	119.7510	0.000	1	119.7510	0.000	1	119.9681	0.952	8	120.0938	0.795	31	119.9954	0.709	40	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a,6a]	3:2:	3:2:	3:3:2:	C[6a,6a]-3:N[6a]-2:	C[5a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a,6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]N[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a,6a]){1|H<1>,1|N<3>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a]){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]N[6a]){1|H<1>,1|O<2>,3|C<3>}	118.9250	0.000	1	118.9250	0.000	1	119.9681	0.952	8	120.0938	0.795	31	119.9954	0.709	40	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a,6a]	3:2:	3:2:	3:3:2:	C[6a,6a]-3:N[6a]-2:	C[5a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a,6a])	N[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]N[6a]H)(N[6a]N[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a,6a]){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	N[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a,6a]){4|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]N[6a]H)(N[6a]N[6a]){1|H<1>,3|C<3>}	119.4590	0.000	1	119.4590	0.000	1	119.9681	0.952	8	120.0938	0.795	31	119.9954	0.709	40	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a,6a]	3:2:	3:2:	3:3:2:	C[6a,6a]-3:N[6a]-2:	C[5a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a,6a])	N[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]N[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a,6a]){1|H<1>,1|N<3>,3|C<3>}	N[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a]){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]N[6a]){2|H<1>,3|C<3>}	119.2230	0.184	2	119.2230	0.034	2	119.9681	0.952	8	120.0938	0.795	31	119.9954	0.709	40	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a,6a]	3:2:	3:2:	3:3:2:	C[6a,6a]-3:N[6a]-2:	C[5a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a,6a])	N[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]N[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a,6a]){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a,6a]){1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]N[6a]){1|N<2>,2|C<3>,2|H<1>}	121.0547	0.540	3	121.0547	0.292	3	119.9681	0.952	8	120.0938	0.795	31	119.9954	0.709	40	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a,6a]	3:2:	3:2:	3:3:2:	C[6a,6a]-3:N[6a]-2:	C[6,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6,6a])	N[6a](C[6,6a]N[6,6a]C[6])(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]N[6,6a]C[6a])(C[6a]C[6a]H)(N[6a]N[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6,6a]){1|H<1>,1|N<3>,3|C<3>}	N[6a](C[6,6a]N[6,6a]C[6])(N[6a]C[6a,6a]){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]N[6,6a]C[6a])(C[6a]C[6a]H)(N[6a]N[6a]){2|H<1>,3|C<3>}	120.4300	0.000	1	120.4300	0.000	1	120.4300	0.000	1	120.0938	0.795	31	119.9954	0.709	40	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a,6a]	3:2:	3:2:	3:3:2:	C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:	C[3x6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[3x6a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[3x6a])(N[6a]C[6a,6a])	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a,6a]C[3x6a]C[6a])(N[6a]N[6a])	N[6a](C[6a,6a]C[6a,6a]C[3x6a])(N[6a]C[6a,6a]){5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[3x6a])(N[6a]C[6a,6a]){5|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a,6a]C[3x6a]C[6a])(N[6a]N[6a]){1|H<1>,1|N<2>,5|C<3>}	120.6235	0.006	2	120.6235	0.000	2	120.6235	0.000	2	120.0938	0.795	31	119.9954	0.709	40	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a,6a]	3:2:	3:2:	3:3:2:	C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]2)(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(N[6a]N[6a])	N[6a](C[6a,6a]C[6a,6a]2)(N[6a]C[6a,6a]){5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(N[6a]N[6a]){2|H<1>,5|C<3>}	119.7170	0.000	1	119.7170	0.000	1	119.7170	0.000	1	120.0938	0.795	31	119.9954	0.709	40	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a,6a]	3:2:	3:2:	3:3:2:	C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]2)(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]N[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]){1|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(N[6a]C[6a,6a]){5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]N[6a]){2|H<1>,3|C<3>}	120.7740	0.000	1	120.7740	0.000	1	120.6123	0.476	8	120.0938	0.795	31	119.9954	0.709	40	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a,6a]	3:2:	3:2:	3:3:2:	C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]N[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]){1|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]N[6a]){1|H<1>,1|N<3>,3|C<3>}	119.9960	0.000	1	120.5270	0.628	6	120.6123	0.476	8	120.0938	0.795	31	119.9954	0.709	40	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a,6a]	3:2:	3:2:	3:3:2:	C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]N[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]){1|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]N[6a]){2|H<1>,3|C<3>}	120.6332	0.837	5	120.5270	0.628	6	120.6123	0.476	8	120.0938	0.795	31	119.9954	0.709	40	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a,6a]	3:2:	3:2:	3:3:2:	C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]N[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]){1|H<1>,1|N<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a]){1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]N[6a]){1|N<2>,2|C<3>,2|H<1>}	120.9620	0.000	1	120.9620	0.000	1	120.6123	0.476	8	120.0938	0.795	31	119.9954	0.709	40	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a,6a]	3:2:	3:2:	3:3:2:	C[6a,6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[3x6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[3x6a])(N[6a]C[6a])	N[6a](C[6a]C[6a,6a]C)(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[3x6a]C[6a])(C[3x6a]C[6a,6a]2)(N[6a]N[6a])	N[6a](C[6a,6a]C[6a,6a]C[3x6a])(N[6a]C[6a]){1|C<4>,4|C<3>}	N[6a](C[6a]C[6a,6a]C)(N[6a]C[6a,6a]){3|C<3>}	C[6a,6a](C[6a,6a]C[3x6a]C[6a])(C[3x6a]C[6a,6a]2)(N[6a]N[6a]){1|H<1>,6|C<3>}	119.7150	0.000	1	119.7150	0.000	1	119.7150	0.000	1	120.0938	0.795	31	119.9954	0.709	40	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a,6a]	3:2:	3:2:	3:3:2:	C[6a,6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(N[6a]C[6a])	N[6a](C[6a]N[6a]C[6])(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]N[6a])	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(N[6a]C[6a]){1|N<2>,4|C<3>}	N[6a](C[6a]N[6a]C[6])(N[6a]C[6a,6a]){1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]N[6a]){1|H<1>,1|N<3>,4|C<3>}	118.6870	0.000	1	118.6870	0.000	1	118.6870	0.000	1	120.0938	0.795	31	119.9954	0.709	40	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a,6a]	3:2:	3:2:	3:3:2:	C[6a,6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]N[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]){1|H<1>,1|N<2>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a]){4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]N[6a]){2|C<3>,2|H<1>}	118.6840	0.295	3	118.6840	0.087	3	118.8960	0.238	4	120.0938	0.795	31	119.9954	0.709	40	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a,6a]	3:2:	3:2:	3:3:2:	C[6a,6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])	N[6a](C[6a]N[6a]N[6])(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]N[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[6a](C[6a]N[6a]N[6])(N[6a]C[6a,6a]){2|C<3>,2|C<4>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]N[6a]){2|C<3>,2|H<1>}	119.5320	0.000	1	119.5320	0.000	1	118.8960	0.238	4	120.0938	0.795	31	119.9954	0.709	40	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	2:3:	3:2:	2:2:1:	N[6a]-2:C[6a]-3:	C[5,6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:H-1:	N[6a](N[6a]C[5,6a])(C[6a]N[6a]H)	N[6a](C[5,6a]N[5,6a]N[5])(N[6a]C[6a])	C[6a](N[6a]N[5,6a])(N[6a]N[6a])(H)	N[6a](N[6a]C[5,6a])(C[6a]N[6a]H){1|N<2>,1|N<3>}	N[6a](C[5,6a]N[5,6a]N[5])(N[6a]C[6a]){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6a](N[6a]N[5,6a])(N[6a]N[6a])(H){2|C<3>}	119.0630	0.000	1	119.0630	0.000	1	119.0630	0.000	1	121.2392	10.031	8	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	2:3:	3:2:	2:2:1:	N[6a]-2:C[6a]-3:	C[5a,6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:H-1:	N[6a](N[6a]C[5a,6a])(C[6a]N[6a]H)	N[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a])	C[6a](N[6a]N[5a,6a])(N[6a]N[6a])(H)	N[6a](N[6a]C[5a,6a])(C[6a]N[6a]H){1|N<2>,1|N<3>}	N[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a]){1|C<3>,1|H<1>,2|N<2>}	C[6a](N[6a]N[5a,6a])(N[6a]N[6a])(H){2|C<3>}	123.9660	5.889	2	123.9660	34.678	2	123.9660	34.678	2	121.2392	10.031	8	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	2:3:	3:2:	2:2:1:	N[6a]-2:C[6a]-3:	C[5a,6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:O-1:	N[6a](N[6a]C[5a,6a])(C[6a]N[6a]O)	N[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a])	C[6a](N[6a]N[5a,6a])(N[6a]N[6a])(O)	N[6a](N[6a]C[5a,6a])(C[6a]N[6a]O){1|N<2>,1|N<3>}	N[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a]){1|C<3>,1|N<2>,1|N<3>,1|O<1>}	C[6a](N[6a]N[5a,6a])(N[6a]N[6a])(O){2|C<3>}	121.6845	0.090	2	121.3948	0.210	4	121.3948	0.210	4	121.2392	10.031	8	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	2:3:	3:2:	2:2:1:	N[6a]-2:C[6a]-3:	C[5a,6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:O-1:	N[6a](N[6a]C[5a,6a])(C[6a]N[6a]O)	N[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a])	C[6a](N[6a]N[5a,6a])(N[6a]N[6a])(O)	N[6a](N[6a]C[5a,6a])(C[6a]N[6a]O){1|N<2>,1|N<3>}	N[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a]){1|C<3>,1|O<1>,2|N<2>}	C[6a](N[6a]N[5a,6a])(N[6a]N[6a])(O){2|C<3>}	121.1050	0.536	2	121.3948	0.210	4	121.3948	0.210	4	121.2392	10.031	8	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	2:3:	3:2:	2:2:1:	N[6a]-2:C[6a]-3:	C[6a,6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:I-1:	N[6a](N[6a]C[6a,6a])(C[6a]N[6a]I)	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(N[6a]N[6a])(I)	N[6a](N[6a]C[6a,6a])(C[6a]N[6a]I){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]){1|H<1>,1|I<1>,1|N<2>,2|C<3>}	C[6a](N[6a]C[6a,6a])(N[6a]N[6a])(I){2|C<3>}	117.3400	0.000	1	117.3400	0.000	1	117.3400	0.000	1	121.2392	10.031	8	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	2:3:	3:2:	2:2:2:	N[6a]-2:C[6a]-3:	C[5,6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:N-2:	N[6a](N[6a]C[5,6a])(C[6a]N[6a]N)	N[6a](C[5,6a]N[5,6a]N[5])(N[6a]C[6a])	C[6a](N[6a]N[5,6a])(N[6a]N[6a])(NN)	N[6a](N[6a]C[5,6a])(C[6a]N[6a]N){1|N<2>,1|N<3>}	N[6a](C[5,6a]N[5,6a]N[5])(N[6a]C[6a]){1|C<3>,1|N<3>,2|N<2>}	C[6a](N[6a]N[5,6a])(N[6a]N[6a])(NN){2|C<3>}	118.9620	0.000	1	118.9620	0.000	1	118.9620	0.000	1	119.2239	0.540	8	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	2:3:	3:2:	2:2:2:	N[6a]-2:C[6a]-3:	C[5a,6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:N-2:	N[6a](N[6a]C[5a,6a])(C[6a]N[6a]N)	N[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a])	C[6a](N[6a]N[5a,6a])(N[6a]N[6a])(NC[5a])	N[6a](N[6a]C[5a,6a])(C[6a]N[6a]N){1|N<2>,1|N<3>}	N[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a]){1|C<3>,3|N<2>}	C[6a](N[6a]N[5a,6a])(N[6a]N[6a])(NC[5a]){2|C<3>}	118.1230	0.000	1	118.1230	0.000	1	119.2730	0.739	6	119.2239	0.540	8	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	2:3:	3:2:	2:2:2:	N[6a]-2:C[6a]-3:	C[5a,6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:N-2:	N[6a](N[6a]C[5a,6a])(C[6a]N[6a]N)	N[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a])	C[6a](N[6a]N[5a,6a])(N[6a]N[6a])(NN)	N[6a](N[6a]C[5a,6a])(C[6a]N[6a]N){1|N<2>,1|N<3>}	N[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a]){1|C<3>,3|N<2>}	C[6a](N[6a]N[5a,6a])(N[6a]N[6a])(NN){2|C<3>}	119.5030	0.726	5	119.5030	0.527	5	119.2730	0.739	6	119.2239	0.540	8	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	2:3:	3:2:	2:2:2:	N[6a]-2:C[6a]-3:	C[5a,6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:O-2:	N[6a](N[6a]C[5a,6a])(C[6a]N[6a]O)	N[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a])	C[6a](N[6a]N[5a,6a])(N[6a]N[6a])(OH)	N[6a](N[6a]C[5a,6a])(C[6a]N[6a]O){1|N<2>,1|N<3>}	N[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a]){1|C<3>,1|O<2>,2|N<2>}	C[6a](N[6a]N[5a,6a])(N[6a]N[6a])(OH){2|C<3>}	119.1910	0.000	1	119.1910	0.000	1	119.1910	0.000	1	119.2239	0.540	8	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	2:3:	3:2:	2:2:3:	N[6a]-2:C[6a]-3:	C[5a,6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:N-3:	N[6a](N[6a]C[5a,6a])(C[6a]N[6a]N)	N[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a])	C[6a](N[6a]N[5a,6a])(N[6a]N[6a])(NC[5a]H)	N[6a](N[6a]C[5a,6a])(C[6a]N[6a]N){1|N<2>,1|N<3>}	N[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a]){1|C<3>,1|N<3>,2|N<2>}	C[6a](N[6a]N[5a,6a])(N[6a]N[6a])(NC[5a]H){2|C<3>}	118.9243	0.399	4	118.9243	0.159	4	119.0868	0.252	12	118.8615	0.545	14	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	2:3:	3:2:	2:2:3:	N[6a]-2:C[6a]-3:	C[5a,6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:N-3:	N[6a](N[6a]C[5a,6a])(C[6a]N[6a]N)	N[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a])	C[6a](N[6a]N[5a,6a])(N[6a]N[6a])(NHH)	N[6a](N[6a]C[5a,6a])(C[6a]N[6a]N){1|N<2>,1|N<3>}	N[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a]){1|C<3>,1|N<3>,2|N<2>}	C[6a](N[6a]N[5a,6a])(N[6a]N[6a])(NHH){2|C<3>}	119.6710	0.041	4	119.6710	0.002	4	119.0868	0.252	12	118.8615	0.545	14	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	2:3:	3:2:	2:2:3:	N[6a]-2:C[6a]-3:	C[5a,6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:N-3:	N[6a](N[6a]C[5a,6a])(C[6a]N[6a]N)	N[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a])	C[6a](N[6a]N[5a,6a])(N[6a]N[6a])(NHN)	N[6a](N[6a]C[5a,6a])(C[6a]N[6a]N){1|N<2>,1|N<3>}	N[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a]){1|C<3>,1|N<3>,2|N<2>}	C[6a](N[6a]N[5a,6a])(N[6a]N[6a])(NHN){2|C<3>}	118.7150	0.000	1	118.7150	0.000	1	119.0868	0.252	12	118.8615	0.545	14	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	2:3:	3:2:	2:2:3:	N[6a]-2:C[6a]-3:	C[5a,6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:N-3:	N[6a](N[6a]C[5a,6a])(C[6a]N[6a]N)	N[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a])	C[6a](N[6a]N[5a,6a])(N[6a]N[6a])(NN[5a]H)	N[6a](N[6a]C[5a,6a])(C[6a]N[6a]N){1|N<2>,1|N<3>}	N[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a]){1|C<3>,1|N<3>,2|N<2>}	C[6a](N[6a]N[5a,6a])(N[6a]N[6a])(NN[5a]H){2|C<3>}	118.6487	0.230	3	118.6487	0.053	3	119.0868	0.252	12	118.8615	0.545	14	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	2:3:	3:2:	2:2:3:	N[6a]-2:C[6a]-3:	C[6a,6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:C-3:	N[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(N[6a]N[6a])(CC[6a]O)	N[6a](N[6a]C[6a,6a])(C[6a]N[6a]C){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]){1|C<4>,1|N<2>,3|C<3>}	C[6a](N[6a]C[6a,6a])(N[6a]N[6a])(CC[6a]O){2|C<3>}	117.6700	0.000	1	117.6700	0.000	1	117.6700	0.000	1	118.8615	0.545	14	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	2:3:	3:2:	2:2:3:	N[6a]-2:C[6a]-3:	C[6a,6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:N-3:	N[6a](N[6a]C[6a,6a])(C[6a]N[6a]N)	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(N[6a]N[6a])(NCC)	N[6a](N[6a]C[6a,6a])(C[6a]N[6a]N){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](N[6a]C[6a,6a])(N[6a]N[6a])(NCC){2|C<3>}	117.3490	0.000	1	117.3490	0.000	1	117.3490	0.000	1	118.8615	0.545	14	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	2:3:	3:2:	3:2:1:	N[6a]-2:C[6a]-3:	C[5a,6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:Cl-1:	N[6a](N[6a]C[5a,6a])(C[6a]C[6a]Cl)	N[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])	C[6a](C[6a]C[5a,6a]N)(N[6a]N[6a])(Cl)	N[6a](N[6a]C[5a,6a])(C[6a]C[6a]Cl){1|C<3>,1|N<2>,1|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]){1|Cl<1>,1|C<3>,1|N<2>,1|N<3>}	C[6a](C[6a]C[5a,6a]N)(N[6a]N[6a])(Cl){1|C<3>,1|N<3>}	122.3695	0.811	2	122.3695	0.658	2	122.3695	0.658	2	121.8243	0.623	4	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	2:3:	3:2:	3:2:1:	N[6a]-2:C[6a]-3:	C[5a,6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)	N[6a](C[5a,6a]C[5a,6a]O[5a])(N[6a]C[6a])	C[6a](C[6a]C[5a,6a]N)(N[6a]N[6a])(H)	N[6a](N[6a]C[5a,6a])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>}	N[6a](C[5a,6a]C[5a,6a]O[5a])(N[6a]C[6a]){1|H<1>,3|C<3>}	C[6a](C[6a]C[5a,6a]N)(N[6a]N[6a])(H){2|C<3>}	121.2790	0.150	2	121.2790	0.022	2	121.2790	0.022	2	121.8243	0.623	4	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	2:3:	3:2:	3:2:2:	N[6a]-2:C[6a]-3:	C[5a,6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-2:	N[6a](N[6a]C[5a,6a])(C[6a]C[6a]C)	N[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a])	C[6a](C[6a]N[5a,6a]N)(N[6a]N[6a])(CN)	N[6a](N[6a]C[5a,6a])(C[6a]C[6a]C){1|N<2>,2|N<3>}	N[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a]){1|C<2>,1|N<2>,2|C<3>}	C[6a](C[6a]N[5a,6a]N)(N[6a]N[6a])(CN){1|C<3>,1|N<2>}	121.4940	0.000	1	121.4940	0.000	1	121.4940	0.000	1	121.4940	0.000	1	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	2:3:	3:2:	3:2:3:	N[6a]-2:C[6a]-3:	C[5a,6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:N-3:	N[6a](N[6a]C[5a,6a])(C[6a]C[6a]N)	N[6a](C[5a,6a]C[5a,6a]N[5,5a])(N[6a]C[6a])	C[6a](C[6a]C[5a,6a]C[6a])(N[6a]N[6a])(NHH)	N[6a](N[6a]C[5a,6a])(C[6a]C[6a]N){1|N<3>,2|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5,5a])(N[6a]C[6a]){1|B<4>,2|C<3>,2|N<3>}	C[6a](C[6a]C[5a,6a]C[6a])(N[6a]N[6a])(NHH){1|B<4>,3|C<3>}	120.4480	0.000	1	120.4480	0.000	1	121.7315	0.766	4	121.7315	0.766	4	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	2:3:	3:2:	3:2:3:	N[6a]-2:C[6a]-3:	C[5a,6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:N-3:	N[6a](N[6a]C[5a,6a])(C[6a]C[6a]N)	N[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a])	C[6a](C[6a]N[5a,6a]N)(N[6a]N[6a])(NOO)	N[6a](N[6a]C[5a,6a])(C[6a]C[6a]N){1|C<3>,1|N<2>,1|N<3>}	N[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a]){1|N<2>,2|C<3>,2|N<3>}	C[6a](C[6a]N[5a,6a]N)(N[6a]N[6a])(NOO){1|C<3>,1|N<2>}	121.9280	0.000	1	122.1593	0.051	3	121.7315	0.766	4	121.7315	0.766	4	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	2:3:	3:2:	3:2:3:	N[6a]-2:C[6a]-3:	C[5a,6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:N-3:	N[6a](N[6a]C[5a,6a])(C[6a]C[6a]N)	N[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a])	C[6a](C[6a]N[5a,6a]N)(N[6a]N[6a])(NOO)	N[6a](N[6a]C[5a,6a])(C[6a]C[6a]N){1|C<3>,2|N<3>}	N[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a]){1|N<2>,2|C<3>,2|N<3>}	C[6a](C[6a]N[5a,6a]N)(N[6a]N[6a])(NOO){1|C<3>,1|N<2>}	122.2750	0.146	2	122.1593	0.051	3	121.7315	0.766	4	121.7315	0.766	4	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	2:3:	3:2:	3:3:2:	N[6a]-2:C[6a]-3:	C[5,6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a](N[6a]C[5,6a])(C[6a]C[6a]2)	N[6a](C[5,6a]C[5,6a]2)(N[6a]C[6a])	C[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[6a]N[6a])	N[6a](N[6a]C[5,6a])(C[6a]C[6a]2){5|C<3>}	N[6a](C[5,6a]C[5,6a]2)(N[6a]C[6a]){5|C<3>}	C[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[6a]N[6a]){2|H<1>,6|C<3>}	121.1293	0.058	3	121.1293	0.003	3	121.6594	0.529	5	121.3097	0.624	8	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	2:3:	3:2:	3:3:2:	N[6a]-2:C[6a]-3:	C[5,6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a](N[6a]C[5,6a])(C[6a]C[6a]2)	N[6a](C[5,6a]N[5,6a]S[5])(N[6a]C[6a])	C[6a](C[6a]N[5,6a]O)(C[6a]C[6a]2)(N[6a]N[6a])	N[6a](N[6a]C[5,6a])(C[6a]C[6a]2){1|N<3>,1|O<1>,1|S<2>,2|C<3>}	N[6a](C[5,6a]N[5,6a]S[5])(N[6a]C[6a]){2|C<3>,2|C<4>}	C[6a](C[6a]N[5,6a]O)(C[6a]C[6a]2)(N[6a]N[6a]){1|C<4>,2|H<1>,3|C<3>}	122.4545	0.026	2	122.4545	0.001	2	121.6594	0.529	5	121.3097	0.624	8	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	2:3:	3:2:	3:3:2:	N[6a]-2:C[6a]-3:	C[6a,6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]N[6a])	N[6a](N[6a]C[6a,6a])(C[6a]C[6a]2){5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]){1|C<4>,4|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]N[6a]){1|H<1>,7|C<3>}	121.0820	0.000	1	121.0820	0.000	1	120.7270	0.310	3	121.3097	0.624	8	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	2:3:	3:2:	3:3:2:	N[6a]-2:C[6a]-3:	C[6a,6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(N[6a]N[6a])	N[6a](N[6a]C[6a,6a])(C[6a]C[6a]2){1|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(N[6a]N[6a]){2|H<1>,4|C<3>}	120.0850	0.000	1	120.0850	0.000	1	120.7270	0.310	3	121.3097	0.624	8	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	2:3:	3:2:	3:3:2:	N[6a]-2:C[6a]-3:	C[6a,6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]2)(N[6a]N[6a])	N[6a](N[6a]C[6a,6a])(C[6a]C[6a]2){1|N<3>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]2)(N[6a]N[6a]){2|H<1>,4|C<3>}	121.0140	0.000	1	121.0140	0.000	1	120.7270	0.310	3	121.3097	0.624	8	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	2:2:	3:2:2:	C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:	C[6a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a]C[6a]N[6a])(N[6a]N[6a])	N[6a](N[6a]C[6a])2	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(N[6a]N[6a])	N[6a](C[6a]C[6a]N[6a])(N[6a]N[6a]){3|C<3>}	N[6a](N[6a]C[6a])2{1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(N[6a]N[6a]){1|N<2>,2|H<1>,3|C<3>}	118.1200	0.000	1	118.1200	0.000	1	118.1200	0.000	1	118.1200	0.000	1	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	2:2:	3:2:3:	C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:	C[5a,6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[5a,6a]N)(N[6a]N[6a])	N[6a](N[6a]C[5a,6a])(N[6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]N[6a])(NHH)	N[6a](C[6a]C[5a,6a]N)(N[6a]N[6a]){2|C<3>}	N[6a](N[6a]C[5a,6a])(N[6a]C[6a]){1|C<3>,2|N<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]N[6a])(NHH){1|H<1>,1|N<3>,2|N<2>}	121.1695	0.241	2	121.1695	0.058	2	121.1695	0.058	2	121.1695	0.058	2	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	2:2:	3:3:2:	C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]2)(N[6a]N[6a])	N[6a](N[6a]C[6a])2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(N[6a]N[6a])	N[6a](C[6a]C[6a]2)(N[6a]N[6a]){1|N<3>,3|C<3>}	N[6a](N[6a]C[6a])2{3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(N[6a]N[6a]){1|N<2>,2|H<1>,3|C<3>}	121.2190	0.269	2	121.2190	0.072	2	121.2190	0.072	2	121.2190	0.072	2	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	2:2:1:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:Br-1:	N[6a](C[6a]N[6a]Br)(N[6a]C[6a])	N[6a](C[6a]N[6a]H)(N[6a]C[6a])	C[6a](N[6a]N[6a])2(Br)	N[6a](C[6a]N[6a]Br)(N[6a]C[6a]){1|H<1>,1|N<2>}	N[6a](C[6a]N[6a]H)(N[6a]C[6a]){1|Br<1>,1|N<2>}	C[6a](N[6a]N[6a])2(Br){1|C<3>}	115.8530	0.106	2	115.8530	0.011	2	115.8530	0.011	2	116.9785	0.320	34	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	2:2:1:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:Cl-1:	N[6a](C[6a]N[6a]Cl)(N[6a]C[6a])	N[6a](C[6a]N[6a]C[5])(N[6a]C[6a])	C[6a](N[6a]N[6a])2(Cl)	N[6a](C[6a]N[6a]Cl)(N[6a]C[6a]){1|C<3>,1|N<2>}	N[6a](C[6a]N[6a]C[5])(N[6a]C[6a]){1|Cl<1>,1|C<3>,1|N<2>,1|S<2>}	C[6a](N[6a]N[6a])2(Cl){1|C<3>}	116.4410	0.007	2	116.4410	0.000	2	116.7210	0.345	8	116.9785	0.320	34	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	2:2:1:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:Cl-1:	N[6a](C[6a]N[6a]Cl)(N[6a]C[6a])	N[6a](C[6a]N[6a]H)(N[6a]C[6a])	C[6a](N[6a]N[6a])2(Cl)	N[6a](C[6a]N[6a]Cl)(N[6a]C[6a]){1|H<1>,1|N<2>}	N[6a](C[6a]N[6a]H)(N[6a]C[6a]){1|Cl<1>,1|N<2>}	C[6a](N[6a]N[6a])2(Cl){1|C<3>}	115.9825	0.305	2	115.9825	0.093	2	116.7210	0.345	8	116.9785	0.320	34	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	2:2:1:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:Cl-1:	N[6a](C[6a]N[6a]Cl)(N[6a]C[6a])	N[6a](C[6a]N[6a]N)(N[6a]C[6a])	C[6a](N[6a]N[6a])2(Cl)	N[6a](C[6a]N[6a]Cl)(N[6a]C[6a]){1|N<2>,1|N<3>}	N[6a](C[6a]N[6a]N)(N[6a]C[6a]){1|Cl<1>,1|N<2>}	C[6a](N[6a]N[6a])2(Cl){1|C<3>}	117.2302	0.111	4	117.2302	0.012	4	116.7210	0.345	8	116.9785	0.320	34	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	2:2:1:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]N[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])	C[6a](N[6a]N[6a])2(H)	N[6a](C[6a]N[6a]H)(N[6a]C[6a]){1|C<3>,1|N<2>}	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]){1|C<3>,1|H<1>,2|N<2>}	C[6a](N[6a]N[6a])2(H){1|C<3>}	116.8680	0.444	2	117.1070	0.082	6	117.1582	0.186	24	116.9785	0.320	34	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	2:2:1:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]N[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])	C[6a](N[6a]N[6a])2(H)	N[6a](C[6a]N[6a]H)(N[6a]C[6a]){1|C<3>,1|N<2>}	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]){1|H<1>,1|N<2>,2|C<3>}	C[6a](N[6a]N[6a])2(H){1|C<3>}	117.2265	0.114	4	117.1070	0.082	6	117.1582	0.186	24	116.9785	0.320	34	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	2:2:1:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]N[6a]H)(N[6a]C[6a])	N[6a](C[6a]N[5a]N[6a])(N[6a]C[6a])	C[6a](N[6a]N[6a])2(H)	N[6a](C[6a]N[6a]H)(N[6a]C[6a]){1|N<2>,1|N<3>}	N[6a](C[6a]N[5a]N[6a])(N[6a]C[6a]){1|H<1>,1|N<2>,2|C<3>}	C[6a](N[6a]N[6a])2(H){1|C<3>}	117.4515	0.228	2	117.4515	0.052	2	117.1582	0.186	24	116.9785	0.320	34	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	2:2:1:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]N[6a]H)(N[6a]C[6a])	N[6a](C[6a]N[6a]Br)(N[6a]C[6a])	C[6a](N[6a]N[6a])2(H)	N[6a](C[6a]N[6a]H)(N[6a]C[6a]){1|Br<1>,1|N<2>}	N[6a](C[6a]N[6a]Br)(N[6a]C[6a]){1|H<1>,1|N<2>}	C[6a](N[6a]N[6a])2(H){1|C<3>}	116.9055	0.053	2	116.9055	0.003	2	117.1582	0.186	24	116.9785	0.320	34	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	2:2:1:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]N[6a]H)(N[6a]C[6a])	N[6a](C[6a]N[6a]Cl)(N[6a]C[6a])	C[6a](N[6a]N[6a])2(H)	N[6a](C[6a]N[6a]H)(N[6a]C[6a]){1|Cl<1>,1|N<2>}	N[6a](C[6a]N[6a]Cl)(N[6a]C[6a]){1|H<1>,1|N<2>}	C[6a](N[6a]N[6a])2(H){1|C<3>}	117.0320	0.242	2	117.0320	0.058	2	117.1582	0.186	24	116.9785	0.320	34	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	2:2:1:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]N[6a]H)(N[6a]C[6a])	N[6a](C[6a]N[6a]N)(N[6a]C[6a])	C[6a](N[6a]N[6a])2(H)	N[6a](C[6a]N[6a]H)(N[6a]C[6a]){1|N<2>,1|N<3>}	N[6a](C[6a]N[6a]N)(N[6a]C[6a]){1|H<1>,1|N<2>}	C[6a](N[6a]N[6a])2(H){1|C<3>}	117.2646	0.664	8	117.2646	0.440	8	117.1582	0.186	24	116.9785	0.320	34	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	2:2:1:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]N[6a]H)(N[6a]C[6a])	N[6a](C[6a]N[6a]O)(N[6a]C[6a])	C[6a](N[6a]N[6a])2(H)	N[6a](C[6a]N[6a]H)(N[6a]C[6a]){1|N<2>,1|O<2>}	N[6a](C[6a]N[6a]O)(N[6a]C[6a]){1|H<1>,1|N<2>}	C[6a](N[6a]N[6a])2(H){1|C<3>}	117.0648	0.262	4	117.0648	0.069	4	117.1582	0.186	24	116.9785	0.320	34	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	2:2:2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:C-2:	N[6a](C[6a]N[6a]C)(N[6a]C[6a])	N[6a](C[6a]N[6a]C)(N[6a]C[6a])	C[6a](N[6a]N[6a])2(CN)	N[6a](C[6a]N[6a]C)(N[6a]C[6a]){1|C<2>,1|N<2>}	N[6a](C[6a]N[6a]C)(N[6a]C[6a]){1|C<2>,1|N<2>}	C[6a](N[6a]N[6a])2(CN){1|C<3>}	115.9600	0.000	1	115.9600	0.000	1	115.9600	0.000	1	116.6650	0.493	82	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	2:2:2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:N-2:	N[6a](C[6a]N[6a]N)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[6a])(N[6a]N[6a])(NH)	N[6a](C[6a]N[6a]N)(N[6a]C[6a]){2|C<3>}	N[6a](C[6a]C[6a]2)(N[6a]C[6a]){1|N<3>,2|C<3>,2|N<2>}	C[6a](N[6a]C[6a])(N[6a]N[6a])(NH){1|C<3>,1|N<3>}	116.9850	0.000	1	116.9850	0.000	1	118.0209	0.817	10	116.6650	0.493	82	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	2:2:2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:N-2:	N[6a](C[6a]N[6a]N)(N[6a]C[6a])	N[6a](C[6a]C[6a]C)(N[6a]C[6a])	C[6a](N[6a]C[6a])(N[6a]N[6a])(NN)	N[6a](C[6a]N[6a]N)(N[6a]C[6a]){1|C<2>,1|C<3>}	N[6a](C[6a]C[6a]C)(N[6a]C[6a]){1|N<3>,2|N<2>}	C[6a](N[6a]C[6a])(N[6a]N[6a])(NN){1|C<3>,1|N<3>}	116.7230	0.093	2	116.7230	0.009	2	118.0209	0.817	10	116.6650	0.493	82	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	2:2:2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:N-2:	N[6a](C[6a]N[6a]N)(N[6a]C[6a])	N[6a](C[6a]N[6a]N)(N[6a]C[6a])	C[6a](N[6a]N[6a])2(NC)	N[6a](C[6a]N[6a]N)(N[6a]C[6a]){2|N<2>}	N[6a](C[6a]N[6a]N)(N[6a]C[6a]){2|N<2>}	C[6a](N[6a]N[6a])2(NC){1|C<3>}	118.6592	0.232	5	118.6592	0.054	5	118.0209	0.817	10	116.6650	0.493	82	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	2:2:2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:N-2:	N[6a](C[6a]N[6a]N)(N[6a]C[6a])	N[6a](C[6a]N[6a]N)(N[6a]C[6a])	C[6a](N[6a]N[6a])2(NN)	N[6a](C[6a]N[6a]N)(N[6a]C[6a]){1|N<2>,1|N<3>}	N[6a](C[6a]N[6a]N)(N[6a]C[6a]){2|N<2>}	C[6a](N[6a]N[6a])2(NN){1|C<3>}	118.2410	0.745	2	118.2410	0.555	2	118.0209	0.817	10	116.6650	0.493	82	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	2:2:2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:O-2:	N[6a](C[6a]N[6a]O)(N[6a]C[6a])	N[6a](C[6a]N[6a]H)(N[6a]C[6a])	C[6a](N[6a]N[6a])2(OC[6a])	N[6a](C[6a]N[6a]O)(N[6a]C[6a]){1|H<1>,1|N<2>}	N[6a](C[6a]N[6a]H)(N[6a]C[6a]){1|N<2>,1|O<2>}	C[6a](N[6a]N[6a])2(OC[6a]){1|C<3>}	116.0870	0.245	4	116.0870	0.060	4	116.4037	0.118	60	116.6650	0.493	82	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	2:2:2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:O-2:	N[6a](C[6a]N[6a]O)(N[6a]C[6a])	N[6a](C[6a]N[6a]O)(N[6a]C[6a])	C[6a](N[6a]N[6a])2(OC)	N[6a](C[6a]N[6a]O)(N[6a]C[6a]){1|N<2>,1|O<2>}	N[6a](C[6a]N[6a]O)(N[6a]C[6a]){1|N<2>,1|O<2>}	C[6a](N[6a]N[6a])2(OC){1|C<3>}	117.1080	0.212	2	117.1080	0.045	2	116.4037	0.118	60	116.6650	0.493	82	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	2:2:2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:O-2:	N[6a](C[6a]N[6a]O)(N[6a]C[6a])	N[6a](C[6a]N[6a]O)(N[6a]C[6a])	C[6a](N[6a]N[6a])2(OC[6a])	N[6a](C[6a]N[6a]O)(N[6a]C[6a]){1|N<2>,1|O<2>}	N[6a](C[6a]N[6a]O)(N[6a]C[6a]){1|N<2>,1|O<2>}	C[6a](N[6a]N[6a])2(OC[6a]){1|C<3>}	116.4046	0.301	50	116.4046	0.091	50	116.4037	0.118	60	116.6650	0.493	82	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	2:2:2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:O-2:	N[6a](C[6a]N[6a]O)(N[6a]C[6a])	N[6a](C[6a]N[6a]S)(N[6a]C[6a])	C[6a](N[6a]N[6a])2(OC[6a])	N[6a](C[6a]N[6a]O)(N[6a]C[6a]){1|N<2>,1|S<2>}	N[6a](C[6a]N[6a]S)(N[6a]C[6a]){1|N<2>,1|O<2>}	C[6a](N[6a]N[6a])2(OC[6a]){1|C<3>}	116.3572	0.539	4	116.3572	0.291	4	116.4037	0.118	60	116.6650	0.493	82	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	2:2:2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:S-2:	N[6a](C[6a]N[6a]S)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[6a])(N[6a]N[6a])(SS)	N[6a](C[6a]N[6a]S)(N[6a]C[6a]){2|C<3>}	N[6a](C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,1|S<2>,3|C<3>}	C[6a](N[6a]C[6a])(N[6a]N[6a])(SS){2|C<3>}	116.5540	0.354	2	116.5540	0.125	2	116.9217	0.196	11	116.6650	0.493	82	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	2:2:2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:S-2:	N[6a](C[6a]N[6a]S)(N[6a]C[6a])	N[6a](C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a])(N[6a]N[6a])(SC)	N[6a](C[6a]N[6a]S)(N[6a]C[6a]){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|N<2>,1|S<2>}	C[6a](N[6a]C[6a])(N[6a]N[6a])(SC){2|C<3>}	116.9437	0.503	4	117.0160	0.216	5	116.9217	0.196	11	116.6650	0.493	82	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	2:2:2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:S-2:	N[6a](C[6a]N[6a]S)(N[6a]C[6a])	N[6a](C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a])(N[6a]N[6a])(SC)	N[6a](C[6a]N[6a]S)(N[6a]C[6a]){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<2>,1|S<2>}	C[6a](N[6a]C[6a])(N[6a]N[6a])(SC){1|C<3>,1|H<1>}	117.3050	0.000	1	117.0160	0.216	5	116.9217	0.196	11	116.6650	0.493	82	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	2:2:2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:S-2:	N[6a](C[6a]N[6a]S)(N[6a]C[6a])	N[6a](C[6a]N[6a]O)(N[6a]C[6a])	C[6a](N[6a]N[6a])2(SC[6a])	N[6a](C[6a]N[6a]S)(N[6a]C[6a]){1|N<2>,1|O<2>}	N[6a](C[6a]N[6a]O)(N[6a]C[6a]){1|N<2>,1|S<2>}	C[6a](N[6a]N[6a])2(SC[6a]){1|C<3>}	116.9878	0.460	4	116.9878	0.211	4	116.9217	0.196	11	116.6650	0.493	82	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	2:2:3:	C[6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:N[6]-3:	N[6a](C[6a]N[6a]N[6])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(N[6a]N[6a])(N[6]C[6]2)	N[6a](C[6a]N[6a]N[6])(N[6a]C[6a,6a]){2|C<3>,2|C<4>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](N[6a]C[6a,6a])(N[6a]N[6a])(N[6]C[6]2){2|C<3>,2|C<4>,4|H<1>}	118.3240	0.000	1	118.3240	0.000	1	118.3240	0.000	1	117.1675	1.026	68	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	2:2:3:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:C[6]-3:	N[6a](C[6a]N[6a]C[6])(N[6a]C[6a])	N[6a](C[6a]N[6a]C[6])(N[6a]C[6a])	C[6a](N[6a]N[6a])2(C[6]C[6]2)	N[6a](C[6a]N[6a]C[6])(N[6a]C[6a]){1|N<2>,3|C<3>}	N[6a](C[6a]N[6a]C[6])(N[6a]C[6a]){1|N<2>,3|C<3>}	C[6a](N[6a]N[6a])2(C[6]C[6]2){2|H<1>,3|C<3>}	117.2039	0.390	19	117.2039	0.152	19	117.2039	0.152	19	117.1675	1.026	68	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	2:2:3:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]N[6a]N)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[6a])(N[6a]N[6a])(NC[6a]H)	N[6a](C[6a]N[6a]N)(N[6a]C[6a]){2|C<3>}	N[6a](C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,1|N<3>,3|C<3>}	C[6a](N[6a]C[6a])(N[6a]N[6a])(NC[6a]H){2|C<3>}	116.3610	0.000	1	116.3610	0.000	1	117.1289	1.373	48	117.1675	1.026	68	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	2:2:3:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]N[6a]N)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[6a])(N[6a]N[6a])(NHH)	N[6a](C[6a]N[6a]N)(N[6a]C[6a]){2|C<3>}	N[6a](C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,2|C<3>,2|N<3>}	C[6a](N[6a]C[6a])(N[6a]N[6a])(NHH){1|C<3>,1|N<3>}	117.8003	2.143	10	117.6730	4.313	11	117.1289	1.373	48	117.1675	1.026	68	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	2:2:3:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]N[6a]N)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[6a])(N[6a]N[6a])(NHH)	N[6a](C[6a]N[6a]N)(N[6a]C[6a]){2|C<3>}	N[6a](C[6a]C[6a]2)(N[6a]C[6a]){1|N<3>,2|C<3>,2|N<2>}	C[6a](N[6a]C[6a])(N[6a]N[6a])(NHH){1|C<3>,1|N<2>}	116.4000	0.000	1	117.6730	4.313	11	117.1289	1.373	48	117.1675	1.026	68	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	2:2:3:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]N[6a]N)(N[6a]C[6a])	N[6a](C[6a]C[6a]C)(N[6a]C[6a])	C[6a](N[6a]C[6a])(N[6a]N[6a])(NHH)	N[6a](C[6a]N[6a]N)(N[6a]C[6a]){1|C<3>,1|C<4>}	N[6a](C[6a]C[6a]C)(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])(N[6a]N[6a])(NHH){1|C<3>,1|C<4>}	117.4590	0.000	1	117.4590	0.000	1	117.1289	1.373	48	117.1675	1.026	68	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	2:2:3:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]N[6a]N)(N[6a]C[6a])	N[6a](C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a])(N[6a]N[6a])(NHH)	N[6a](C[6a]N[6a]N)(N[6a]C[6a]){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])(N[6a]N[6a])(NHH){1|C<3>,1|H<1>}	118.1658	0.283	5	118.1658	0.080	5	117.1289	1.373	48	117.1675	1.026	68	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	2:2:3:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]N[6a]N)(N[6a]C[6a])	N[6a](C[6a]N[5a]N[6a])(N[6a]C[6a])	C[6a](N[6a]N[6a])2(NCH)	N[6a](C[6a]N[6a]N)(N[6a]C[6a]){1|N<2>,1|N<3>}	N[6a](C[6a]N[5a]N[6a])(N[6a]C[6a]){1|C<3>,1|N<3>,2|N<2>}	C[6a](N[6a]N[6a])2(NCH){1|C<3>}	117.0345	0.192	2	117.0345	0.037	2	117.1289	1.373	48	117.1675	1.026	68	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	2:2:3:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]N[6a]N)(N[6a]C[6a])	N[6a](C[6a]N[5a]N[6a])(N[6a]C[6a])	C[6a](N[6a]N[6a])2(NC[5a]H)	N[6a](C[6a]N[6a]N)(N[6a]C[6a]){1|N<2>,1|N<3>}	N[6a](C[6a]N[5a]N[6a])(N[6a]C[6a]){1|C<3>,1|N<3>,2|N<2>}	C[6a](N[6a]N[6a])2(NC[5a]H){1|C<3>}	116.7725	1.191	2	116.7725	1.420	2	117.1289	1.373	48	117.1675	1.026	68	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	2:2:3:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]N[6a]N)(N[6a]C[6a])	N[6a](C[6a]N[5a]N[6a])(N[6a]C[6a])	C[6a](N[6a]N[6a])2(NHN)	N[6a](C[6a]N[6a]N)(N[6a]C[6a]){1|N<2>,1|N<3>}	N[6a](C[6a]N[5a]N[6a])(N[6a]C[6a]){1|C<3>,1|N<3>,2|N<2>}	C[6a](N[6a]N[6a])2(NHN){1|C<3>}	116.8671	0.343	8	116.8671	0.118	8	117.1289	1.373	48	117.1675	1.026	68	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	2:2:3:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]N[6a]N)(N[6a]C[6a])	N[6a](C[6a]N[6a]Cl)(N[6a]C[6a])	C[6a](N[6a]N[6a])2(NCC)	N[6a](C[6a]N[6a]N)(N[6a]C[6a]){1|Cl<1>,1|N<2>}	N[6a](C[6a]N[6a]Cl)(N[6a]C[6a]){1|N<2>,1|N<3>}	C[6a](N[6a]N[6a])2(NCC){1|C<3>}	116.9925	0.282	2	116.9925	0.080	2	117.1289	1.373	48	117.1675	1.026	68	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	2:2:3:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]N[6a]N)(N[6a]C[6a])	N[6a](C[6a]N[6a]Cl)(N[6a]C[6a])	C[6a](N[6a]N[6a])2(NCH)	N[6a](C[6a]N[6a]N)(N[6a]C[6a]){1|Cl<1>,1|N<2>}	N[6a](C[6a]N[6a]Cl)(N[6a]C[6a]){1|N<2>,1|N<3>}	C[6a](N[6a]N[6a])2(NCH){1|C<3>}	116.9790	0.262	2	116.9790	0.068	2	117.1289	1.373	48	117.1675	1.026	68	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	2:2:3:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]N[6a]N)(N[6a]C[6a])	N[6a](C[6a]N[6a]H)(N[6a]C[6a])	C[6a](N[6a]N[6a])2(NCH)	N[6a](C[6a]N[6a]N)(N[6a]C[6a]){1|H<1>,1|N<2>}	N[6a](C[6a]N[6a]H)(N[6a]C[6a]){1|N<2>,1|N<3>}	C[6a](N[6a]N[6a])2(NCH){1|C<3>}	116.7800	0.325	2	116.7800	0.106	2	117.1289	1.373	48	117.1675	1.026	68	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	2:2:3:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]N[6a]N)(N[6a]C[6a])	N[6a](C[6a]N[6a]H)(N[6a]C[6a])	C[6a](N[6a]N[6a])2(NC[5a]H)	N[6a](C[6a]N[6a]N)(N[6a]C[6a]){1|H<1>,1|N<2>}	N[6a](C[6a]N[6a]H)(N[6a]C[6a]){1|N<2>,1|N<3>}	C[6a](N[6a]N[6a])2(NC[5a]H){1|C<3>}	116.4695	0.578	2	116.4695	0.334	2	117.1289	1.373	48	117.1675	1.026	68	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	2:2:3:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]N[6a]N)(N[6a]C[6a])	N[6a](C[6a]N[6a]H)(N[6a]C[6a])	C[6a](N[6a]N[6a])2(NC[6a]2)	N[6a](C[6a]N[6a]N)(N[6a]C[6a]){1|H<1>,1|N<2>}	N[6a](C[6a]N[6a]H)(N[6a]C[6a]){1|N<2>,1|N<3>}	C[6a](N[6a]N[6a])2(NC[6a]2){1|C<3>}	116.2165	0.268	6	116.2165	0.072	6	117.1289	1.373	48	117.1675	1.026	68	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	2:2:3:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]N[6a]N)(N[6a]C[6a])	N[6a](C[6a]N[6a]N)(N[6a]C[6a])	C[6a](N[6a]N[6a])2(NHH)	N[6a](C[6a]N[6a]N)(N[6a]C[6a]){2|N<2>}	N[6a](C[6a]N[6a]N)(N[6a]C[6a]){1|N<2>,1|N<3>}	C[6a](N[6a]N[6a])2(NHH){1|C<3>}	117.6840	0.676	2	117.6840	0.457	2	117.1289	1.373	48	117.1675	1.026	68	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	2:2:3:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]N[6a]N)(N[6a]C[6a])	N[6a](C[6a]N[6a]N)(N[6a]C[6a])	C[6a](N[6a]N[6a])2(NHN)	N[6a](C[6a]N[6a]N)(N[6a]C[6a]){1|N<2>,1|N<3>}	N[6a](C[6a]N[6a]N)(N[6a]C[6a]){1|N<2>,1|N<3>}	C[6a](N[6a]N[6a])2(NHN){1|C<3>}	116.7380	0.373	2	116.7380	0.139	2	117.1289	1.373	48	117.1675	1.026	68	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	2:2:4:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:C-4:	N[6a](C[6a]N[6a]C)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])	C[6a](N[6a]N[6a])2(CC[6a]HH)	N[6a](C[6a]N[6a]C)(N[6a]C[6a]){1|C<3>,1|N<2>}	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]){1|C<4>,1|N<2>,2|C<3>}	C[6a](N[6a]N[6a])2(CC[6a]HH){1|C<3>}	117.7428	0.228	4	117.7428	0.052	4	117.7148	0.285	36	117.7148	0.285	36	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	2:2:4:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:C-4:	N[6a](C[6a]N[6a]C)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])	C[6a](N[6a]N[6a])2(CH3)	N[6a](C[6a]N[6a]C)(N[6a]C[6a]){1|C<3>,1|N<2>}	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]){1|C<3>,1|C<4>,2|N<2>}	C[6a](N[6a]N[6a])2(CH3){1|C<3>}	117.9370	0.297	2	117.6780	0.132	4	117.7148	0.285	36	117.7148	0.285	36	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	2:2:4:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:C-4:	N[6a](C[6a]N[6a]C)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])	C[6a](N[6a]N[6a])2(CH3)	N[6a](C[6a]N[6a]C)(N[6a]C[6a]){1|C<3>,1|N<2>}	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]){1|C<4>,1|N<2>,2|C<3>}	C[6a](N[6a]N[6a])2(CH3){1|C<3>}	117.4190	0.199	2	117.6780	0.132	4	117.7148	0.285	36	117.7148	0.285	36	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	2:2:4:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:C-4:	N[6a](C[6a]N[6a]C)(N[6a]C[6a])	N[6a](C[6a]N[6a]C)(N[6a]C[6a])	C[6a](N[6a]N[6a])2(CCHH)	N[6a](C[6a]N[6a]C)(N[6a]C[6a]){1|C<4>,1|N<2>}	N[6a](C[6a]N[6a]C)(N[6a]C[6a]){1|C<4>,1|N<2>}	C[6a](N[6a]N[6a])2(CCHH){1|C<3>}	117.7039	0.693	18	117.7039	0.480	18	117.7148	0.285	36	117.7148	0.285	36	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	2:2:4:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:C-4:	N[6a](C[6a]N[6a]C)(N[6a]C[6a])	N[6a](C[6a]N[6a]C)(N[6a]C[6a])	C[6a](N[6a]N[6a])2(CC[6a]HH)	N[6a](C[6a]N[6a]C)(N[6a]C[6a]){1|C<4>,1|N<2>}	N[6a](C[6a]N[6a]C)(N[6a]C[6a]){1|C<4>,1|N<2>}	C[6a](N[6a]N[6a])2(CC[6a]HH){1|C<3>}	117.7381	0.373	10	117.7381	0.139	10	117.7148	0.285	36	117.7148	0.285	36	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	2:3:2:	C[6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:	N[6a]-2:C[6]-3:N[6a]-2:	N[6a](C[6a]N[6a]C[6])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6]C[6]N[6])(N[6a]N[6a])	N[6a](C[6a]N[6a]C[6])(N[6a]C[6a,6a]){1|N<3>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(N[6a]C[6a]){1|N<2>,4|C<3>}	C[6a](N[6a]C[6a,6a])(C[6]C[6]N[6])(N[6a]N[6a]){2|H<1>,4|C<3>}	117.4740	0.000	1	117.4740	0.000	1	117.4740	0.000	1	118.8415	0.863	4	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	2:3:2:	C[6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]N[6a])	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a]){4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]){1|H<1>,1|N<2>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]N[6a]){2|H<1>,4|C<3>}	119.2973	0.219	3	119.2973	0.048	3	119.2973	0.048	3	118.8415	0.863	4	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:2:1:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[5,6,6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[5,6,6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5,6,6a]H)(N[6a]C[6a])	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(N[6a]N[6a])(H)	N[6a](C[6a]C[5,6,6a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[5,6,6a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(N[6a]N[6a])(H){1|H<1>,2|C<3>,2|C<4>}	120.1135	0.049	2	120.1135	0.002	2	120.1135	0.002	2	119.0041	2.807	90	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:2:1:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6,6,6a]-3:N[6a]-2:Cl-1:	N[6a](C[6a]C[6,6,6a]Cl)(N[6a]C[6a])	N[6a](C[6a]C[6,6,6a]C[6a])(N[6a]C[6a])	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(N[6a]N[6a])(Cl)	N[6a](C[6a]C[6,6,6a]Cl)(N[6a]C[6a]){1|C<4>,2|C<3>}	N[6a](C[6a]C[6,6,6a]C[6a])(N[6a]C[6a]){1|Cl<1>,1|C<4>,1|N<2>,2|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(N[6a]N[6a])(Cl){1|C<4>,1|H<1>,3|C<3>}	119.1570	0.000	1	119.1570	0.000	1	119.1570	0.000	1	119.0041	2.807	90	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:2:1:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6,6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6,6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6,6a]C)(N[6a]C[6a])	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]N[6a])(H)	N[6a](C[6a]C[6,6a]H)(N[6a]C[6a]){1|C<4>,2|C<3>}	N[6a](C[6a]C[6,6a]C)(N[6a]C[6a]){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]N[6a])(H){1|C<4>,1|O<2>,3|C<3>}	118.8170	0.000	1	118.8170	0.000	1	119.5980	0.460	3	119.0041	2.807	90	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:2:1:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6,6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6,6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6,6a]H)(N[6a]C[6a])	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]N[6a])(H)	N[6a](C[6a]C[6,6a]H)(N[6a]C[6a]){1|H<1>,2|C<3>}	N[6a](C[6a]C[6,6a]H)(N[6a]C[6a]){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]N[6a])(H){1|O<1>,3|C<3>}	119.9885	0.067	2	119.9885	0.005	2	119.5980	0.460	3	119.0041	2.807	90	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:2:1:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a,6a]C)(N[6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(H)	N[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]){1|C<4>,2|C<3>}	N[6a](C[6a]C[6a,6a]C)(N[6a]C[6a]){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(H){1|H<1>,3|C<3>}	119.0880	0.000	1	119.0880	0.000	1	119.4043	2.099	7	119.0041	2.807	90	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:2:1:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(H)	N[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(H){1|Br<1>,3|C<3>}	120.6990	0.000	1	119.4570	2.495	6	119.4043	2.099	7	119.0041	2.807	90	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:2:1:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(H)	N[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(H){1|H<1>,3|C<3>}	119.2086	1.630	5	119.4570	2.495	6	119.4043	2.099	7	119.0041	2.807	90	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:2:1:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:Cl-1:	N[6a](C[6a]C[6a]Cl)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]C)(N[6a]N[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(N[6a]C[6a]){1|C<4>,2|C<3>}	N[6a](C[6a]C[6a]2)(N[6a]C[6a]){1|Cl<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]N[6a])(Cl){1|C<3>,1|O<2>}	118.6900	0.000	1	118.6900	0.000	1	118.8345	0.582	33	119.0041	2.807	90	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:2:1:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:Cl-1:	N[6a](C[6a]C[6a]Cl)(N[6a]C[6a])	N[6a](C[6a]C[6a]C)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(N[6a]C[6a]){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(N[6a]C[6a]){1|Cl<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(Cl){1|C<3>,1|C<4>}	117.7550	0.137	2	118.3673	1.134	3	118.8345	0.582	33	119.0041	2.807	90	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:2:1:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:Cl-1:	N[6a](C[6a]C[6a]Cl)(N[6a]C[6a])	N[6a](C[6a]C[6a]C)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(N[6a]C[6a]){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(N[6a]C[6a]){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(Cl){1|C<3>,1|H<1>}	119.5920	0.000	1	118.3673	1.134	3	118.8345	0.582	33	119.0041	2.807	90	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:2:1:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:Cl-1:	N[6a](C[6a]C[6a]Cl)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[5])(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(N[6a]C[6a]){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C[5])(N[6a]C[6a]){1|Fe<10>,1|Cl<1>,1|C<3>,1|H<1>,2|C<4>}	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(Cl){1|C<3>,1|H<1>}	119.0270	0.008	2	119.0270	0.000	2	118.8345	0.582	33	119.0041	2.807	90	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:2:1:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:Cl-1:	N[6a](C[6a]C[6a]Cl)(N[6a]C[6a])	N[6a](C[6a]C[6a]Cl)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(N[6a]C[6a]){1|Cl<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Cl)(N[6a]C[6a]){1|Cl<1>,1|C<3>,1|S<2>}	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(Cl){1|C<3>,1|S<2>}	117.1630	0.000	1	117.5975	0.378	2	118.8345	0.582	33	119.0041	2.807	90	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:2:1:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:Cl-1:	N[6a](C[6a]C[6a]Cl)(N[6a]C[6a])	N[6a](C[6a]C[6a]Cl)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(N[6a]C[6a]){1|Cl<2>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Cl)(N[6a]C[6a]){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(Cl){1|C<3>,1|H<1>}	118.0320	0.000	1	117.5975	0.378	2	118.8345	0.582	33	119.0041	2.807	90	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:2:1:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:Cl-1:	N[6a](C[6a]C[6a]Cl)(N[6a]C[6a])	N[6a](C[6a]C[6a]Cl)(N[6a]C[6a])	C[6a](C[6a]C[6a]N)(N[6a]N[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(N[6a]C[6a]){1|Cl<1>,1|C<3>,1|N<3>}	N[6a](C[6a]C[6a]Cl)(N[6a]C[6a]){1|Cl<1>,1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]N)(N[6a]N[6a])(Cl){1|C<3>,1|N<3>}	118.9938	1.203	4	118.9938	1.447	4	118.8345	0.582	33	119.0041	2.807	90	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:2:1:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:Cl-1:	N[6a](C[6a]C[6a]Cl)(N[6a]C[6a])	N[6a](C[6a]C[6a]Cl)(N[6a]C[6a])	C[6a](C[6a]C[6a]S)(N[6a]N[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(N[6a]C[6a]){1|Cl<1>,1|C<3>,1|S<2>}	N[6a](C[6a]C[6a]Cl)(N[6a]C[6a]){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]S)(N[6a]N[6a])(Cl){1|C<3>,1|H<1>}	119.3820	0.000	1	119.3820	0.000	1	118.8345	0.582	33	119.0041	2.807	90	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:2:1:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:Cl-1:	N[6a](C[6a]C[6a]Cl)(N[6a]C[6a])	N[6a](C[6a]C[6a]N)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(N[6a]C[6a]){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[6a]C[6a]N)(N[6a]C[6a]){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(Cl){1|C<3>,1|H<1>}	118.8120	0.000	1	119.1241	0.371	14	118.8345	0.582	33	119.0041	2.807	90	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:2:1:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:Cl-1:	N[6a](C[6a]C[6a]Cl)(N[6a]C[6a])	N[6a](C[6a]C[6a]N)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(N[6a]C[6a]){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N)(N[6a]C[6a]){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(Cl){1|C<3>,1|H<1>}	119.1481	0.627	13	119.1241	0.371	14	118.8345	0.582	33	119.0041	2.807	90	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:2:1:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:Cl-1:	N[6a](C[6a]C[6a]Cl)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[5a])(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(N[6a]C[6a]){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N[5a])(N[6a]C[6a]){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(Cl){1|C<3>,1|H<1>}	118.2230	0.277	3	118.2230	0.077	3	118.8345	0.582	33	119.0041	2.807	90	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:2:1:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:Cl-1:	N[6a](C[6a]C[6a]Cl)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6])(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(N[6a]C[6a]){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N[6])(N[6a]C[6a]){1|Cl<1>,1|C<3>,1|H<1>,2|C<4>}	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(Cl){1|C<3>,1|H<1>}	118.9110	0.243	3	118.9110	0.059	3	118.8345	0.582	33	119.0041	2.807	90	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:2:1:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C)(N[6a]C[6a])	C[6a](C[6a]C[6a]C)(N[6a]N[6a])(H)	N[6a](C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|C<3>}	N[6a](C[6a]C[6a]C)(N[6a]C[6a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]N[6a])(H){1|C<3>,1|C<4>}	117.9940	0.000	1	117.9940	0.000	1	118.9454	5.138	42	119.0041	2.807	90	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:2:1:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(H)	N[6a](C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(N[6a]C[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(H){1|C<3>,1|H<1>}	119.1005	0.214	2	119.0565	0.108	4	118.9454	5.138	42	119.0041	2.807	90	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:2:1:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(H)	N[6a](C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C)(N[6a]C[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(H){1|C<3>,1|H<1>}	119.0125	0.520	2	119.0565	0.108	4	118.9454	5.138	42	119.0041	2.807	90	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:2:1:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]2)(N[6a]N[6a])(H)	N[6a](C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]2)(N[6a]N[6a])(H){1|H<1>,3|C<3>}	118.8290	0.000	1	118.8290	0.000	1	118.9454	5.138	42	119.0041	2.807	90	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:2:1:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]C)(N[6a]N[6a])(H)	N[6a](C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]N[6a])(H){1|C<3>,1|H<1>}	119.2790	0.000	1	119.2790	0.000	1	118.9454	5.138	42	119.0041	2.807	90	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:2:1:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(H)	N[6a](C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(H){1|C<3>,1|H<1>}	118.8724	3.138	22	118.8815	9.002	24	118.9454	5.138	42	119.0041	2.807	90	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:2:1:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(H)	N[6a](C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(H){2|C<3>}	118.9820	0.508	2	118.8815	9.002	24	118.9454	5.138	42	119.0041	2.807	90	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:2:1:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]N[6a])(H)	N[6a](C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|C<3>}	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(N[6a]N[6a])(H){3|C<3>}	119.3250	0.000	1	119.3250	0.000	1	118.9454	5.138	42	119.0041	2.807	90	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:2:1:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]N[6a]N)(N[6a]C[6a])	C[6a](C[6a]N[6a]H)(N[6a]N[6a])(H)	N[6a](C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]N[6a]N)(N[6a]C[6a]){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]H)(N[6a]N[6a])(H){1|C<3>}	119.3400	0.520	5	119.3400	0.270	5	118.9454	5.138	42	119.0041	2.807	90	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:2:1:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]N[6a]S)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]N[6a])(H)	N[6a](C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|N<2>,1|S<2>}	N[6a](C[6a]N[6a]S)(N[6a]C[6a]){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]N[6a])(N[6a]N[6a])(H){3|C<3>}	118.8995	0.124	2	118.8995	0.015	2	118.9454	5.138	42	119.0041	2.807	90	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:2:1:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]N[6a]S)(N[6a]C[6a])	C[6a](C[6a]N[6a]C)(N[6a]N[6a])(H)	N[6a](C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|N<2>,1|S<2>}	N[6a](C[6a]N[6a]S)(N[6a]C[6a]){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]C)(N[6a]N[6a])(H){1|C<3>}	118.7940	0.204	2	118.7940	0.041	2	118.9454	5.138	42	119.0041	2.807	90	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:2:1:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]N[6a]S)(N[6a]C[6a])	C[6a](C[6a]N[6a]H)(N[6a]N[6a])(H)	N[6a](C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<2>,1|S<2>}	N[6a](C[6a]N[6a]S)(N[6a]C[6a]){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]H)(N[6a]N[6a])(H){1|C<3>}	118.8090	0.000	1	118.8090	0.000	1	118.9454	5.138	42	119.0041	2.807	90	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:2:1:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:I-1:	N[6a](C[6a]C[6a]I)(N[6a]C[6a])	N[6a](C[6a]C[6a]C)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(I)	N[6a](C[6a]C[6a]I)(N[6a]C[6a]){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(N[6a]C[6a]){1|C<3>,1|H<1>,1|I<1>}	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(I){1|C<3>,1|H<1>}	119.0010	0.000	1	119.0010	0.000	1	119.0010	0.000	1	119.0041	2.807	90	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:2:1:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	N[6a]-3:N[6a]-2:O-1:	N[6a](C[6a]N[6a]O)(N[6a]C[6a])	N[6a](C[6a]N[5a]N[6a])(N[6a]C[6a])	C[6a](N[6a]N[6a]H)(N[6a]N[6a])(O)	N[6a](C[6a]N[6a]O)(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]N[5a]N[6a])(N[6a]C[6a]){1|C<3>,1|N<2>,1|N<3>,1|O<1>}	C[6a](N[6a]N[6a]H)(N[6a]N[6a])(O){1|C<3>}	120.1140	0.000	1	120.1140	0.000	1	120.1140	0.000	1	119.0041	2.807	90	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:2:2:	C[6a]-3:N[6a]-2:	C[5,6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a]C[6a]N[6a])(N[6a]C[5,6a])	N[6a](C[5,6a]C[5,6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[5,6a])(N[6a]N[6a])	N[6a](C[6a]C[6a]N[6a])(N[6a]C[5,6a]){1|N<2>,3|C<3>}	N[6a](C[5,6a]C[5,6a]2)(N[6a]C[6a]){1|N<2>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[5,6a])(N[6a]N[6a]){1|H<1>,1|N<2>,3|C<3>}	119.3407	0.416	3	119.3407	0.173	3	119.3407	0.173	3	118.1444	0.913	142	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:2:2:	C[6a]-3:N[6a]-2:	C[6,6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6,6a])	N[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6,6a])(N[6a]N[6a])	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6,6a]){1|C<4>,1|N<2>,2|C<3>}	N[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]){1|C<3>,1|N<2>,4|C<4>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6,6a])(N[6a]N[6a]){1|C<4>,1|H<1>,3|C<3>}	117.9277	0.451	3	117.9277	0.203	3	117.9277	0.203	3	118.1444	0.913	142	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:2:2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[5,6a]-3:N[6a]-2:S-2:	N[6a](C[6a]C[5,6a]S)(N[6a]C[6a])	N[6a](C[6a]C[5,6a]S)(N[6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(N[6a]N[6a])(SC)	N[6a](C[6a]C[5,6a]S)(N[6a]C[6a]){1|S<2>,2|C<3>}	N[6a](C[6a]C[5,6a]S)(N[6a]C[6a]){1|S<2>,2|C<3>}	C[6a](C[5,6a]C[5,6a]2)(N[6a]N[6a])(SC){4|C<3>}	120.2697	0.102	3	120.2697	0.010	3	120.2697	0.010	3	118.1444	0.913	142	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:2:2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[5]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a]N[6a]C[5])(N[6a]C[6a])	N[6a](C[6a]N[6a]Cl)(N[6a]C[6a])	C[6a](C[5]C[5]S[5])(N[6a]N[6a])2	N[6a](C[6a]N[6a]C[5])(N[6a]C[6a]){1|Cl<1>,1|C<3>,1|N<2>,1|S<2>}	N[6a](C[6a]N[6a]Cl)(N[6a]C[6a]){1|C<3>,1|N<2>}	C[6a](C[5]C[5]S[5])(N[6a]N[6a])2{1|H<1>,1|S<2>,2|C<3>}	117.1790	0.065	2	117.1790	0.004	2	117.1790	0.004	2	118.1444	0.913	142	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:2:2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6,6,6a]-3:N[6a]-2:O-2:	N[6a](C[6a]C[6,6,6a]O)(N[6a]C[6a])	N[6a](C[6a]C[6,6,6a]C[6a])(N[6a]C[6a])	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(N[6a]N[6a])(OC)	N[6a](C[6a]C[6,6,6a]O)(N[6a]C[6a]){1|C<4>,2|C<3>}	N[6a](C[6a]C[6,6,6a]C[6a])(N[6a]C[6a]){1|C<4>,1|N<2>,1|O<2>,2|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(N[6a]N[6a])(OC){1|C<4>,1|H<1>,3|C<3>}	119.4830	0.000	1	119.5595	0.012	2	119.5595	0.012	2	118.1444	0.913	142	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:2:2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6,6,6a]-3:N[6a]-2:O-2:	N[6a](C[6a]C[6,6,6a]O)(N[6a]C[6a])	N[6a](C[6a]C[6,6,6a]C[6a])(N[6a]C[6a])	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(N[6a]N[6a])(OC)	N[6a](C[6a]C[6,6,6a]O)(N[6a]C[6a]){1|C<4>,2|C<3>}	N[6a](C[6a]C[6,6,6a]C[6a])(N[6a]C[6a]){1|C<4>,1|O<2>,3|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(N[6a]N[6a])(OC){1|C<4>,1|H<1>,3|C<3>}	119.6360	0.000	1	119.5595	0.012	2	119.5595	0.012	2	118.1444	0.913	142	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:2:2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a]N[6a]C[6])(N[6a]C[6a])	N[6a](C[6a]N[6a]C[6])(N[6a]C[6a])	C[6a](C[6]C[6]N[6])(N[6a]N[6a])2	N[6a](C[6a]N[6a]C[6])(N[6a]C[6a]){1|N<2>,1|N<3>,2|C<3>}	N[6a](C[6a]N[6a]C[6])(N[6a]C[6a]){1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6]C[6]N[6])(N[6a]N[6a])2{2|H<1>,3|C<3>}	116.9025	0.139	4	116.9025	0.019	4	116.9025	0.019	4	118.1444	0.913	142	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:2:2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:O-2:	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a])	N[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(OC[6a])	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a]){3|C<3>}	N[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a]){1|O<2>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(OC[6a]){1|H<1>,3|C<3>}	118.8660	0.000	1	118.8660	0.000	1	118.8660	0.000	1	118.1444	0.913	142	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:2:2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-2:	N[6a](C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a]C[6a]C)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(CC)	N[6a](C[6a]C[6a]C)(N[6a]C[6a]){1|C<2>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(N[6a]C[6a]){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(CC){1|C<3>,1|H<1>}	119.7382	0.228	4	119.7200	0.041	5	119.5971	0.071	7	118.1444	0.913	142	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:2:2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-2:	N[6a](C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a]C[6a]C)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(CC)	N[6a](C[6a]C[6a]C)(N[6a]C[6a]){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(N[6a]C[6a]){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(CC){1|C<3>,1|H<1>}	119.6470	0.000	1	119.7200	0.041	5	119.5971	0.071	7	118.1444	0.913	142	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:2:2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-2:	N[6a](C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a]N[6a]N)(N[6a]C[6a])	C[6a](C[6a]N[6a]N)(N[6a]N[6a])(CN)	N[6a](C[6a]C[6a]C)(N[6a]C[6a]){1|N<3>,2|N<2>}	N[6a](C[6a]N[6a]N)(N[6a]C[6a]){1|C<2>,1|C<3>}	C[6a](C[6a]N[6a]N)(N[6a]N[6a])(CN){1|C<3>}	119.2900	0.033	2	119.2900	0.001	2	119.5971	0.071	7	118.1444	0.913	142	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:2:2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:Cl-2:	N[6a](C[6a]C[6a]Cl)(N[6a]C[6a])	N[6a](C[6a]C[6a]Cl)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(ClC[6a])	N[6a](C[6a]C[6a]Cl)(N[6a]C[6a]){1|Cl<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Cl)(N[6a]C[6a]){1|Cl<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(ClC[6a]){1|C<3>,1|H<1>}	119.1650	0.000	1	119.1650	0.000	1	119.1650	0.000	1	118.1444	0.913	142	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:2:2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:N-2:	N[6a](C[6a]C[6a]N)(N[6a]C[6a])	N[6a](C[6a]C[6a]Cl)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(NS)	N[6a](C[6a]C[6a]N)(N[6a]C[6a]){1|Cl<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Cl)(N[6a]C[6a]){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(NS){1|C<3>,1|H<1>}	120.3550	0.000	1	120.3550	0.000	1	120.3550	0.000	1	118.1444	0.913	142	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:2:2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(N[6a]N[6a])	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]){1|N<2>,3|C<3>}	N[6a](C[6a]C[5a]C[6a])(N[6a]C[6a]){1|N<2>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(N[6a]N[6a]){1|H<1>,4|C<3>}	118.1490	0.000	1	118.1490	0.000	1	117.8502	0.261	71	118.1444	0.913	142	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:2:2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(N[6a]N[6a])	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]){4|C<3>}	N[6a](C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(N[6a]N[6a]){1|N<3>,2|H<1>,3|C<3>}	116.5090	0.000	1	118.1742	1.150	5	117.8502	0.261	71	118.1444	0.913	142	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:2:2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(N[6a]N[6a])	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]){4|C<3>}	N[6a](C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,4|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(N[6a]N[6a]){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	118.0830	0.000	1	118.1742	1.150	5	117.8502	0.261	71	118.1444	0.913	142	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:2:2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(N[6a]N[6a])	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]){4|C<3>}	N[6a](C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,4|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(N[6a]N[6a]){1|H<1>,1|N<3>,4|C<3>}	119.4350	0.000	1	118.1742	1.150	5	117.8502	0.261	71	118.1444	0.913	142	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:2:2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(N[6a]N[6a])	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]){4|C<3>}	N[6a](C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,4|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(N[6a]N[6a]){1|N<2>,2|H<1>,3|C<3>}	118.1900	0.000	1	118.1742	1.150	5	117.8502	0.261	71	118.1444	0.913	142	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:2:2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(N[6a]N[6a])	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]){4|C<3>}	N[6a](C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,4|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(N[6a]N[6a]){2|H<1>,4|C<3>}	118.6540	0.000	1	118.1742	1.150	5	117.8502	0.261	71	118.1444	0.913	142	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:2:2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(N[6a]N[6a])	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]){1|N<2>,3|C<3>}	N[6a](C[6a]C[6a]2)(N[6a]C[6a]){1|C<5>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(N[6a]N[6a]){1|C<5>,1|H<1>,3|C<3>}	117.2660	0.000	1	117.9522	0.160	6	117.8502	0.261	71	118.1444	0.913	142	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:2:2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(N[6a]N[6a])	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]){1|N<2>,3|C<3>}	N[6a](C[6a]C[6a]2)(N[6a]C[6a]){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(N[6a]N[6a]){2|H<1>,3|C<3>}	118.1930	0.000	1	117.9522	0.160	6	117.8502	0.261	71	118.1444	0.913	142	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:2:2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(N[6a]N[6a])	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]){1|N<2>,3|C<3>}	N[6a](C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(N[6a]N[6a]){1|H<1>,1|N<2>,3|C<3>}	118.4380	0.000	1	117.9522	0.160	6	117.8502	0.261	71	118.1444	0.913	142	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:2:2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(N[6a]N[6a])	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]){1|N<2>,3|C<3>}	N[6a](C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(N[6a]N[6a]){1|H<1>,4|C<3>}	117.9387	0.128	3	117.9522	0.160	6	117.8502	0.261	71	118.1444	0.913	142	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:2:2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])	N[6a](C[6a]C[6a]C)(N[6a]C[6a])	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(N[6a]N[6a])	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]){4|C<3>}	N[6a](C[6a]C[6a]C)(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<2>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(N[6a]N[6a]){1|C<4>,2|H<1>,3|C<3>}	118.1975	0.651	2	118.3540	0.286	3	117.8502	0.261	71	118.1444	0.913	142	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:2:2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])	N[6a](C[6a]C[6a]C)(N[6a]C[6a])	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(N[6a]N[6a])	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]){4|C<3>}	N[6a](C[6a]C[6a]C)(N[6a]C[6a]){1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(N[6a]N[6a]){2|H<1>,4|C<3>}	118.6670	0.000	1	118.3540	0.286	3	117.8502	0.261	71	118.1444	0.913	142	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:2:2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])	N[6a](C[6a]C[6a]C)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(N[6a]N[6a])	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]){1|C<4>,1|N<2>,2|C<3>}	N[6a](C[6a]C[6a]C)(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<2>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(N[6a]N[6a]){1|C<4>,1|H<1>,3|C<3>}	118.0915	0.335	4	118.0915	0.112	4	117.8502	0.261	71	118.1444	0.913	142	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:2:2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])	N[6a](C[6a]C[6a]C)(N[6a]C[6a])	C[6a](C[6a]N[6a]2)(N[6a]C[6a])(N[6a]N[6a])	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]){1|C<3>,1|C<4>,2|N<2>}	N[6a](C[6a]C[6a]C)(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<2>}	C[6a](C[6a]N[6a]2)(N[6a]C[6a])(N[6a]N[6a]){1|C<4>,1|N<2>,2|C<3>}	118.2890	0.000	1	118.2890	0.000	1	117.8502	0.261	71	118.1444	0.913	142	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:2:2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])	N[6a](C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(N[6a]N[6a])	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]){1|H<1>,3|C<3>}	N[6a](C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(N[6a]N[6a]){2|H<1>,4|C<3>}	118.7540	0.000	1	118.7540	0.000	1	117.8502	0.261	71	118.1444	0.913	142	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:2:2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])	C[6a](C[6a]C[6a]2)(N[6a]N[6a])2	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]){1|N<2>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]){1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]N[6a])2{1|Br<1>,1|H<1>,3|C<3>}	117.6755	0.057	2	117.6541	0.100	24	117.8502	0.261	71	118.1444	0.913	142	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:2:2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])	C[6a](C[6a]C[6a]2)(N[6a]N[6a])2	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]){1|N<2>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]){1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]N[6a])2{1|Cl<1>,1|H<1>,3|C<3>}	117.7575	0.028	2	117.6541	0.100	24	117.8502	0.261	71	118.1444	0.913	142	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:2:2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])	C[6a](C[6a]C[6a]2)(N[6a]N[6a])2	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]){1|N<2>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]){1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]N[6a])2{1|N<2>,2|C<3>,2|H<1>}	117.9070	0.038	2	117.6541	0.100	24	117.8502	0.261	71	118.1444	0.913	142	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:2:2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])	C[6a](C[6a]C[6a]2)(N[6a]N[6a])2	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]){1|N<2>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]){1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]N[6a])2{2|Br<1>,3|C<3>}	117.1305	0.216	4	117.6541	0.100	24	117.8502	0.261	71	118.1444	0.913	142	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:2:2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])	C[6a](C[6a]C[6a]2)(N[6a]N[6a])2	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]){1|N<2>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]){1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]N[6a])2{2|H<1>,3|C<3>}	117.7795	0.223	6	117.6541	0.100	24	117.8502	0.261	71	118.1444	0.913	142	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:2:2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])	C[6a](C[6a]C[6a]2)(N[6a]N[6a])2	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]){1|N<2>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]){1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]N[6a])2{5|C<3>}	117.6550	0.242	6	117.6541	0.100	24	117.8502	0.261	71	118.1444	0.913	142	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:2:2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])	C[6a](C[6a]C[6a]2)(N[6a]N[6a])2	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]){1|N<2>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]){2|C<3>,2|N<2>}	C[6a](C[6a]C[6a]2)(N[6a]N[6a])2{2|H<1>,3|C<3>}	117.9445	0.319	2	117.6541	0.100	24	117.8502	0.261	71	118.1444	0.913	142	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:2:2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]N[6a])2	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]){2|C<3>,2|N<2>}	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]){1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(N[6a]N[6a])2{1|H<1>,3|C<3>}	117.9600	0.550	2	117.6809	0.340	10	117.8502	0.261	71	118.1444	0.913	142	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:2:2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]N[6a])2	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]){2|C<3>,2|N<2>}	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]){2|C<3>,2|N<2>}	C[6a](C[6a]C[6a]N[6a])(N[6a]N[6a])2{1|H<1>,1|N<2>,2|C<3>}	117.2045	0.779	2	117.6809	0.340	10	117.8502	0.261	71	118.1444	0.913	142	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:2:2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]N[6a])2	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]){2|C<3>,2|N<2>}	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]){2|C<3>,2|N<2>}	C[6a](C[6a]C[6a]N[6a])(N[6a]N[6a])2{1|H<1>,3|C<3>}	117.7467	0.550	6	117.6809	0.340	10	117.8502	0.261	71	118.1444	0.913	142	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:2:2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])	C[6a](C[6a]N[6a]2)(N[6a]N[6a])2	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]){1|C<3>,3|N<2>}	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]){1|C<3>,3|N<2>}	C[6a](C[6a]N[6a]2)(N[6a]N[6a])2{3|C<3>}	117.5800	0.460	2	117.5800	0.211	2	117.8502	0.261	71	118.1444	0.913	142	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:2:2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])	N[6a](C[6a]N[6a]C)(N[6a]C[6a])	C[6a](C[6a]C[6a]2)(N[6a]N[6a])2	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]){1|C<4>,1|N<2>,2|C<3>}	N[6a](C[6a]N[6a]C)(N[6a]C[6a]){1|C<3>,1|N<2>}	C[6a](C[6a]C[6a]2)(N[6a]N[6a])2{2|H<1>,3|C<3>}	118.1945	0.312	6	118.1945	0.097	6	117.8502	0.261	71	118.1444	0.913	142	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:2:2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])	N[6a](C[6a]N[6a]C)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]N[6a])2	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]){1|C<3>,1|C<4>,2|N<2>}	N[6a](C[6a]N[6a]C)(N[6a]C[6a]){1|C<3>,1|N<2>}	C[6a](C[6a]C[6a]N[6a])(N[6a]N[6a])2{1|H<1>,3|C<3>}	117.6725	0.315	2	117.6725	0.099	2	117.8502	0.261	71	118.1444	0.913	142	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:2:2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])	N[6a](C[6a]N[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]2)(N[6a]N[6a])2	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]){1|H<1>,1|N<2>,2|C<3>}	N[6a](C[6a]N[6a]H)(N[6a]C[6a]){1|C<3>,1|N<2>}	C[6a](C[6a]C[6a]2)(N[6a]N[6a])2{2|H<1>,3|C<3>}	117.7742	0.338	4	117.7742	0.114	4	117.8502	0.261	71	118.1444	0.913	142	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:2:2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])	N[6a](C[6a]N[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]N[6a])2	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]){1|C<3>,1|H<1>,2|N<2>}	N[6a](C[6a]N[6a]H)(N[6a]C[6a]){1|C<3>,1|N<2>}	C[6a](C[6a]C[6a]N[6a])(N[6a]N[6a])2{1|H<1>,3|C<3>}	117.4425	0.530	2	117.4425	0.281	2	117.8502	0.261	71	118.1444	0.913	142	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:2:2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:O-2:	N[6a](C[6a]C[6a]O)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]2)(N[6a]N[6a])(OC)	N[6a](C[6a]C[6a]O)(N[6a]C[6a]){3|C<3>}	N[6a](C[6a]C[6a]2)(N[6a]C[6a]){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]N[6a])(OC){1|H<1>,1|N<2>,2|C<3>}	120.0630	0.000	1	120.0060	0.006	2	119.1008	0.335	12	118.1444	0.913	142	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:2:2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:O-2:	N[6a](C[6a]C[6a]O)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]2)(N[6a]N[6a])(OC)	N[6a](C[6a]C[6a]O)(N[6a]C[6a]){3|C<3>}	N[6a](C[6a]C[6a]2)(N[6a]C[6a]){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]N[6a])(OC){1|H<1>,3|C<3>}	119.9490	0.000	1	120.0060	0.006	2	119.1008	0.335	12	118.1444	0.913	142	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:2:2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:O-2:	N[6a](C[6a]C[6a]O)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]B[5])(N[6a]N[6a])(OC)	N[6a](C[6a]C[6a]O)(N[6a]C[6a]){1|B<3>,2|C<3>}	N[6a](C[6a]C[6a]2)(N[6a]C[6a]){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]B[5])(N[6a]N[6a])(OC){1|C<3>,1|H<1>,2|O<2>}	119.2450	0.000	1	119.2450	0.000	1	119.1008	0.335	12	118.1444	0.913	142	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:2:2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:O-2:	N[6a](C[6a]C[6a]O)(N[6a]C[6a])	N[6a](C[6a]C[6a]C)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(OC)	N[6a](C[6a]C[6a]O)(N[6a]C[6a]){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(N[6a]C[6a]){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(OC){1|C<3>,1|H<1>}	118.9725	0.473	4	118.9725	0.223	4	119.1008	0.335	12	118.1444	0.913	142	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:2:2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:O-2:	N[6a](C[6a]C[6a]O)(N[6a]C[6a])	N[6a](C[6a]C[6a]O)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(OC)	N[6a](C[6a]C[6a]O)(N[6a]C[6a]){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[6a]C[6a]O)(N[6a]C[6a]){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(OC){1|C<3>,1|H<1>}	119.0423	0.459	3	119.0423	0.210	3	119.1008	0.335	12	118.1444	0.913	142	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:2:2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:O-2:	N[6a](C[6a]C[6a]O)(N[6a]C[6a])	N[6a](C[6a]C[6a]O)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(OC[6a])	N[6a](C[6a]C[6a]O)(N[6a]C[6a]){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[6a]C[6a]O)(N[6a]C[6a]){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(OC[6a]){1|C<3>,1|H<1>}	118.4680	0.228	2	118.4680	0.052	2	119.1008	0.335	12	118.1444	0.913	142	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:2:2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:S-2:	N[6a](C[6a]C[6a]S)(N[6a]C[6a])	N[6a](C[6a]C[6a]C)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(SS)	N[6a](C[6a]C[6a]S)(N[6a]C[6a]){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(N[6a]C[6a]){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(SS){1|C<3>,1|H<1>}	119.6790	0.000	1	119.6790	0.000	1	119.5093	0.167	6	118.1444	0.913	142	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:2:2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:S-2:	N[6a](C[6a]C[6a]S)(N[6a]C[6a])	N[6a](C[6a]C[6a]S)(N[6a]C[6a])	C[6a](C[6a]C[6a]2)(N[6a]N[6a])(SC)	N[6a](C[6a]C[6a]S)(N[6a]C[6a]){1|S<3>,2|C<3>}	N[6a](C[6a]C[6a]S)(N[6a]C[6a]){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[6a]2)(N[6a]N[6a])(SC){1|H<1>,3|C<3>}	119.7933	0.133	3	119.7933	0.018	3	119.5093	0.167	6	118.1444	0.913	142	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:2:2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:S-2:	N[6a](C[6a]C[6a]S)(N[6a]C[6a])	N[6a](C[6a]C[6a]S)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(SC)	N[6a](C[6a]C[6a]S)(N[6a]C[6a]){1|C<3>,1|H<1>,1|S<2>}	N[6a](C[6a]C[6a]S)(N[6a]C[6a]){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(SC){1|C<3>,1|H<1>}	118.9985	0.083	2	118.9985	0.007	2	119.5093	0.167	6	118.1444	0.913	142	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:2:2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	N[5a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a]N[5a]N[6a])(N[6a]C[6a])	N[6a](C[6a]C[6a]C)(N[6a]C[6a])	C[6a](N[5a]C[5a,6a]C[5a])(N[6a]C[6a])(N[6a]N[6a])	N[6a](C[6a]N[5a]N[6a])(N[6a]C[6a]){1|C<4>,3|C<3>}	N[6a](C[6a]C[6a]C)(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>}	C[6a](N[5a]C[5a,6a]C[5a])(N[6a]C[6a])(N[6a]N[6a]){1|N<2>,2|C<4>,3|C<3>}	116.8950	0.000	1	116.8950	0.000	1	117.2189	0.420	20	118.1444	0.913	142	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:2:2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	N[5a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a]N[5a]N[6a])(N[6a]C[6a])	N[6a](C[6a]N[5a]N[6a])(N[6a]C[6a])	C[6a](N[5a]C[5a]N[5a])(N[6a]N[6a])2	N[6a](C[6a]N[5a]N[6a])(N[6a]C[6a]){1|C<3>,1|N<3>,2|N<2>}	N[6a](C[6a]N[5a]N[6a])(N[6a]C[6a]){1|C<3>,1|N<3>,2|N<2>}	C[6a](N[5a]C[5a]N[5a])(N[6a]N[6a])2{1|C<4>,3|C<3>}	117.0598	0.663	4	117.0598	0.440	4	117.2189	0.420	20	118.1444	0.913	142	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:2:2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	N[5a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a]N[5a]N[6a])(N[6a]C[6a])	N[6a](C[6a]N[6a]H)(N[6a]C[6a])	C[6a](N[5a]C[5a,6a]C[5a])(N[6a]N[6a])2	N[6a](C[6a]N[5a]N[6a])(N[6a]C[6a]){1|H<1>,1|N<2>,2|C<3>}	N[6a](C[6a]N[6a]H)(N[6a]C[6a]){1|N<2>,1|N<3>}	C[6a](N[5a]C[5a,6a]C[5a])(N[6a]N[6a])2{1|H<1>,4|C<3>}	116.5625	0.183	2	116.5625	0.034	2	117.2189	0.420	20	118.1444	0.913	142	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:2:2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	N[5a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a]N[5a]N[6a])(N[6a]C[6a])	N[6a](C[6a]N[6a]N)(N[6a]C[6a])	C[6a](N[5a]C[5a]N[5a])(N[6a]N[6a])2	N[6a](C[6a]N[5a]N[6a])(N[6a]C[6a]){1|C<3>,1|N<3>,2|N<2>}	N[6a](C[6a]N[6a]N)(N[6a]C[6a]){1|N<2>,1|N<3>}	C[6a](N[5a]C[5a]N[5a])(N[6a]N[6a])2{1|C<4>,3|C<3>}	117.4009	0.582	10	117.3072	0.362	12	117.2189	0.420	20	118.1444	0.913	142	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:2:2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	N[5a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a]N[5a]N[6a])(N[6a]C[6a])	N[6a](C[6a]N[6a]N)(N[6a]C[6a])	C[6a](N[5a]C[5a]N[5a])(N[6a]N[6a])2	N[6a](C[6a]N[5a]N[6a])(N[6a]C[6a]){1|C<3>,1|N<3>,2|N<2>}	N[6a](C[6a]N[6a]N)(N[6a]C[6a]){1|N<2>,1|N<3>}	C[6a](N[5a]C[5a]N[5a])(N[6a]N[6a])2{1|N<2>,1|N<3>,2|C<3>}	116.8385	0.636	2	117.3072	0.362	12	117.2189	0.420	20	118.1444	0.913	142	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:2:2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	N[5a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a]N[5a]N[6a])(N[6a]C[6a])	N[6a](C[6a]N[6a]O)(N[6a]C[6a])	C[6a](N[5a]C[5a]N[5a])(N[6a]N[6a])2	N[6a](C[6a]N[5a]N[6a])(N[6a]C[6a]){1|C<3>,1|N<2>,1|N<3>,1|O<1>}	N[6a](C[6a]N[6a]O)(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>}	C[6a](N[5a]C[5a]N[5a])(N[6a]N[6a])2{1|C<4>,1|H<1>,3|C<3>}	118.4340	0.000	1	118.4340	0.000	1	117.2189	0.420	20	118.1444	0.913	142	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:2:2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	N[6a]-3:N[6a]-2:S-2:	N[6a](C[6a]N[6a]S)(N[6a]C[6a])	N[6a](C[6a]C[6a]C)(N[6a]C[6a])	C[6a](N[6a]C[6a]C)(N[6a]N[6a])(SC)	N[6a](C[6a]N[6a]S)(N[6a]C[6a]){1|C<3>,2|C<4>}	N[6a](C[6a]C[6a]C)(N[6a]C[6a]){1|N<3>,1|O<1>,1|S<2>}	C[6a](N[6a]C[6a]C)(N[6a]N[6a])(SC){1|C<3>,1|O<1>}	118.2790	0.000	1	118.2790	0.000	1	118.2042	0.015	6	118.1444	0.913	142	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:2:2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	N[6a]-3:N[6a]-2:S-2:	N[6a](C[6a]N[6a]S)(N[6a]C[6a])	N[6a](C[6a]C[6a]C)(N[6a]C[6a])	C[6a](N[6a]C[6a]N)(N[6a]N[6a])(SC)	N[6a](C[6a]N[6a]S)(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<2>}	N[6a](C[6a]C[6a]C)(N[6a]C[6a]){1|N<3>,1|O<1>,1|S<2>}	C[6a](N[6a]C[6a]N)(N[6a]N[6a])(SC){1|C<3>,1|O<1>}	118.1850	0.000	1	118.1892	0.017	5	118.2042	0.015	6	118.1444	0.913	142	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:2:2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	N[6a]-3:N[6a]-2:S-2:	N[6a](C[6a]N[6a]S)(N[6a]C[6a])	N[6a](C[6a]C[6a]C)(N[6a]C[6a])	C[6a](N[6a]C[6a]N)(N[6a]N[6a])(SC)	N[6a](C[6a]N[6a]S)(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<3>}	N[6a](C[6a]C[6a]C)(N[6a]C[6a]){1|N<3>,1|O<1>,1|S<2>}	C[6a](N[6a]C[6a]N)(N[6a]N[6a])(SC){1|C<3>,1|O<1>}	118.1903	0.150	4	118.1892	0.017	5	118.2042	0.015	6	118.1444	0.913	142	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:2:3:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[5,6a]-3:N[6a]-2:C-3:	N[6a](C[6a]C[5,6a]C)(N[6a]C[6a])	N[6a](C[6a]C[5,6a]C)(N[6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(N[6a]N[6a])(CNO)	N[6a](C[6a]C[5,6a]C)(N[6a]C[6a]){3|C<3>}	N[6a](C[6a]C[5,6a]C)(N[6a]C[6a]){3|C<3>}	C[6a](C[5,6a]C[5,6a]2)(N[6a]N[6a])(CNO){4|C<3>}	120.7170	0.257	4	120.7170	0.066	4	120.5996	0.214	9	119.6286	0.615	53	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:2:3:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[5,6a]-3:N[6a]-2:C-3:	N[6a](C[6a]C[5,6a]C)(N[6a]C[6a])	N[6a](C[6a]C[5,6a]C)(N[6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(N[6a]N[6a])(COO)	N[6a](C[6a]C[5,6a]C)(N[6a]C[6a]){3|C<3>}	N[6a](C[6a]C[5,6a]C)(N[6a]C[6a]){3|C<3>}	C[6a](C[5,6a]C[5,6a]2)(N[6a]N[6a])(COO){4|C<3>}	120.5056	0.594	5	120.5056	0.353	5	120.5996	0.214	9	119.6286	0.615	53	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:2:3:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6,6a]-3:N[6a]-2:C-3:	N[6a](C[6a]C[6,6a]C)(N[6a]C[6a])	N[6a](C[6a]C[6,6a]H)(N[6a]C[6a])	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]N[6a])(CCO)	N[6a](C[6a]C[6,6a]C)(N[6a]C[6a]){1|H<1>,2|C<3>}	N[6a](C[6a]C[6,6a]H)(N[6a]C[6a]){1|C<4>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]N[6a])(CCO){1|C<4>,1|O<1>,2|C<3>}	119.6820	0.000	1	119.6820	0.000	1	119.6820	0.000	1	119.6286	0.615	53	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:2:3:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:C-3:	N[6a](C[6a]C[6a,6a]C)(N[6a]C[6a])	N[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(CC[6a]O)	N[6a](C[6a]C[6a,6a]C)(N[6a]C[6a]){3|C<3>}	N[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a]){5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(CC[6a]O){1|H<1>,3|C<3>}	119.8760	0.000	1	119.8760	0.000	1	119.8760	0.000	1	119.6286	0.615	53	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:2:3:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-3:	N[6a](C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]C)(N[6a]N[6a])(COO)	N[6a](C[6a]C[6a]C)(N[6a]C[6a]){3|C<3>}	N[6a](C[6a]C[6a]2)(N[6a]C[6a]){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]N[6a])(COO){1|C<3>,1|H<1>}	119.4490	0.000	1	119.4490	0.000	1	119.7559	0.438	13	119.6286	0.615	53	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:2:3:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-3:	N[6a](C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a]C[6a]C)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(CHN)	N[6a](C[6a]C[6a]C)(N[6a]C[6a]){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C)(N[6a]C[6a]){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(CHN){1|C<3>,1|H<1>}	119.4010	0.211	2	119.4010	0.044	2	119.7559	0.438	13	119.6286	0.615	53	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:2:3:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-3:	N[6a](C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a]C[6a]C)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(COO)	N[6a](C[6a]C[6a]C)(N[6a]C[6a]){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C)(N[6a]C[6a]){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(COO){1|C<3>,1|H<1>}	119.7488	0.918	4	119.7488	0.843	4	119.7559	0.438	13	119.6286	0.615	53	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:2:3:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-3:	N[6a](C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]C)(N[6a]N[6a])(CNO)	N[6a](C[6a]C[6a]C)(N[6a]C[6a]){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]N[6a])(CNO){1|C<3>,1|C<4>}	120.4950	0.000	1	120.4950	0.000	1	119.7559	0.438	13	119.6286	0.615	53	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:2:3:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-3:	N[6a](C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(CCH)	N[6a](C[6a]C[6a]C)(N[6a]C[6a]){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(CCH){1|C<3>,1|H<1>}	120.2985	0.978	2	120.2985	0.956	2	119.7559	0.438	13	119.6286	0.615	53	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:2:3:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-3:	N[6a](C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])	C[6a](C[6a]N[6a]C)(N[6a]N[6a])(COO)	N[6a](C[6a]C[6a]C)(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<2>}	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]){4|C<3>}	C[6a](C[6a]N[6a]C)(N[6a]N[6a])(COO){1|C<3>}	119.4540	0.181	2	119.4963	0.022	3	119.7559	0.438	13	119.6286	0.615	53	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:2:3:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-3:	N[6a](C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])	C[6a](C[6a]N[6a]C)(N[6a]N[6a])(COO)	N[6a](C[6a]C[6a]C)(N[6a]C[6a]){1|N<2>,2|C<3>}	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]){4|C<3>}	C[6a](C[6a]N[6a]C)(N[6a]N[6a])(COO){1|C<3>}	119.5810	0.000	1	119.4963	0.022	3	119.7559	0.438	13	119.6286	0.615	53	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:2:3:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C[6]-3:	N[6a](C[6a]C[6a]C[6])(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(C[6]C[6]2)	N[6a](C[6a]C[6a]C[6])(N[6a]C[6a]){1|H<1>,4|C<3>}	N[6a](C[6a]C[6a]C[6])(N[6a]C[6a]){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(C[6]C[6]2){3|C<3>,3|H<1>}	119.9550	0.324	2	119.9550	0.105	2	119.9550	0.105	2	119.6286	0.615	53	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:2:3:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]N)(N[6a]C[6a])	N[6a](C[6a]C[6a]Cl)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(NCH)	N[6a](C[6a]C[6a]N)(N[6a]C[6a]){1|Cl<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Cl)(N[6a]C[6a]){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(NCH){1|C<3>,1|H<1>}	119.4920	0.000	1	119.4920	0.000	1	119.3023	0.299	19	119.6286	0.615	53	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:2:3:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]N)(N[6a]C[6a])	N[6a](C[6a]C[6a]Cl)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(NC[6a]H)	N[6a](C[6a]C[6a]N)(N[6a]C[6a]){1|Cl<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Cl)(N[6a]C[6a]){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(NC[6a]H){1|C<3>,1|H<1>}	118.7365	0.016	2	118.7365	0.000	2	119.3023	0.299	19	119.6286	0.615	53	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:2:3:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]N)(N[6a]C[6a])	N[6a](C[6a]C[6a]Cl)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(NHH)	N[6a](C[6a]C[6a]N)(N[6a]C[6a]){1|Cl<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Cl)(N[6a]C[6a]){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(NHH){1|C<3>,1|H<1>}	119.2420	0.000	1	119.2420	0.000	1	119.3023	0.299	19	119.6286	0.615	53	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:2:3:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]N)(N[6a]C[6a])	N[6a](C[6a]C[6a]Cl)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(NHN)	N[6a](C[6a]C[6a]N)(N[6a]C[6a]){1|Cl<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Cl)(N[6a]C[6a]){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(NHN){1|C<3>,1|H<1>}	119.2180	0.650	7	119.2180	0.422	7	119.3023	0.299	19	119.6286	0.615	53	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:2:3:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]N)(N[6a]C[6a])	N[6a](C[6a]C[6a]Cl)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(NHS)	N[6a](C[6a]C[6a]N)(N[6a]C[6a]){1|Cl<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Cl)(N[6a]C[6a]){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(NHS){1|C<3>,1|H<1>}	119.5220	0.414	2	119.5220	0.172	2	119.3023	0.299	19	119.6286	0.615	53	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:2:3:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]N)(N[6a]C[6a])	N[6a](C[6a]C[6a]N)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(NHH)	N[6a](C[6a]C[6a]N)(N[6a]C[6a]){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N)(N[6a]C[6a]){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(NHH){1|C<3>,1|H<1>}	119.8245	0.029	2	119.8245	0.001	2	119.3023	0.299	19	119.6286	0.615	53	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:2:3:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]N)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[5a])(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(NCC)	N[6a](C[6a]C[6a]N)(N[6a]C[6a]){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N[5a])(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(NCC){1|C<3>,1|H<1>}	119.7800	0.000	1	119.7800	0.000	1	119.3023	0.299	19	119.6286	0.615	53	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:2:3:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]N)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[5a])(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(NC[6a]H)	N[6a](C[6a]C[6a]N)(N[6a]C[6a]){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N[5a])(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(NC[6a]H){1|C<3>,1|H<1>}	119.1790	0.719	3	119.1790	0.517	3	119.3023	0.299	19	119.6286	0.615	53	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:2:3:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:N[5]-3:	N[6a](C[6a]C[6a]N[5])(N[6a]C[6a])	N[6a](C[6a]C[6a]N[5])(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(N[5]C[5]2)	N[6a](C[6a]C[6a]N[5])(N[6a]C[6a]){1|H<1>,1|N<3>,3|C<3>}	N[6a](C[6a]C[6a]N[5])(N[6a]C[6a]){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(N[5]C[5]2){1|Pd<7>,1|N<3>,2|C<3>,2|H<1>}	118.6370	0.000	1	118.6370	0.000	1	118.6370	0.000	1	119.6286	0.615	53	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:2:3:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:N[6]-3:	N[6a](C[6a]C[6a]N[6])(N[6a]C[6a])	N[6a](C[6a]C[6a]Cl)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(N[6]C[6]2)	N[6a](C[6a]C[6a]N[6])(N[6a]C[6a]){1|Cl<1>,1|C<3>,1|H<1>,2|C<4>}	N[6a](C[6a]C[6a]Cl)(N[6a]C[6a]){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(N[6]C[6]2){1|C<3>,2|C<4>,5|H<1>}	119.5927	0.208	3	119.5927	0.043	3	119.7100	0.084	4	119.6286	0.615	53	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:2:3:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:N[6]-3:	N[6a](C[6a]C[6a]N[6])(N[6a]C[6a])	N[6a](C[6a]C[6a]N[5a])(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(N[6]C[6]2)	N[6a](C[6a]C[6a]N[6])(N[6a]C[6a]){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	N[6a](C[6a]C[6a]N[5a])(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(N[6]C[6]2){1|C<3>,2|C<4>,5|H<1>}	120.0620	0.000	1	120.0620	0.000	1	119.7100	0.084	4	119.6286	0.615	53	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:2:3:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:S-3:	N[6a](C[6a]C[6a]S)(N[6a]C[6a])	N[6a](C[6a]C[6a]S)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(SCO)	N[6a](C[6a]C[6a]S)(N[6a]C[6a]){1|C<3>,1|H<1>,1|S<2>}	N[6a](C[6a]C[6a]S)(N[6a]C[6a]){1|S<3>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(SCO){2|C<3>}	118.1353	0.546	3	118.1353	0.298	3	118.1353	0.298	3	119.6286	0.615	53	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:2:4:	C[6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a,6a]C)(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[3x6a])(N[6a]C[6a])	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]N[6a])(CCHH)	N[6a](C[6a]C[6a,6a]C)(N[6a]C[6a,6a]){3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[3x6a])(N[6a]C[6a]){1|C<4>,4|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]N[6a])(CCHH){1|H<1>,3|C<3>}	120.8450	0.000	1	120.8450	0.000	1	120.8450	0.000	1	120.3278	0.623	41	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:2:4:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[5,6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[5,6a]C)(N[6a]C[6a])	N[6a](C[6a]C[5,6a]C)(N[6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(N[6a]N[6a])(CC[6a]HH)	N[6a](C[6a]C[5,6a]C)(N[6a]C[6a]){1|C<4>,2|C<3>}	N[6a](C[6a]C[5,6a]C)(N[6a]C[6a]){1|C<4>,2|C<3>}	C[6a](C[5,6a]C[5,6a]2)(N[6a]N[6a])(CC[6a]HH){4|C<3>}	120.9945	0.234	2	120.9945	0.055	2	120.8845	0.085	4	120.3278	0.623	41	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:2:4:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[5,6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[5,6a]C)(N[6a]C[6a])	N[6a](C[6a]C[5,6a]C)(N[6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(N[6a]N[6a])(CH3)	N[6a](C[6a]C[5,6a]C)(N[6a]C[6a]){1|C<4>,2|C<3>}	N[6a](C[6a]C[5,6a]C)(N[6a]C[6a]){1|C<4>,2|C<3>}	C[6a](C[5,6a]C[5,6a]2)(N[6a]N[6a])(CH3){4|C<3>}	120.7745	0.388	2	120.7745	0.151	2	120.8845	0.085	4	120.3278	0.623	41	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:2:4:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a,6a]C)(N[6a]C[6a])	N[6a](C[6a]C[6a,6a]C)(N[6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(CCHH)	N[6a](C[6a]C[6a,6a]C)(N[6a]C[6a]){1|C<4>,2|C<3>}	N[6a](C[6a]C[6a,6a]C)(N[6a]C[6a]){1|C<4>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(CCHH){1|H<1>,3|C<3>}	120.4040	0.000	1	120.4040	0.000	1	120.8567	0.525	3	120.3278	0.623	41	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:2:4:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a,6a]C)(N[6a]C[6a])	N[6a](C[6a]C[6a,6a]C)(N[6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(CH3)	N[6a](C[6a]C[6a,6a]C)(N[6a]C[6a]){1|C<4>,2|C<3>}	N[6a](C[6a]C[6a,6a]C)(N[6a]C[6a]){1|C<4>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(CH3){1|C<4>,1|N<2>,2|C<3>}	121.6920	0.000	1	121.6920	0.000	1	120.8567	0.525	3	120.3278	0.623	41	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:2:4:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a,6a]C)(N[6a]C[6a])	N[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(CC[6a]2H)	N[6a](C[6a]C[6a,6a]C)(N[6a]C[6a]){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]){1|C<4>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(CC[6a]2H){1|H<1>,3|C<3>}	120.4740	0.000	1	120.4740	0.000	1	120.8567	0.525	3	120.3278	0.623	41	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:2:4:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]N)(N[6a]N[6a])(CF3)	N[6a](C[6a]C[6a]C)(N[6a]C[6a]){1|N<3>,2|C<3>}	N[6a](C[6a]C[6a]2)(N[6a]C[6a]){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N)(N[6a]N[6a])(CF3){1|C<3>,1|H<1>}	120.8380	0.000	1	120.8380	0.000	1	120.2406	0.601	32	120.3278	0.623	41	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:2:4:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a]C[6a]C)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(CC3)	N[6a](C[6a]C[6a]C)(N[6a]C[6a]){1|C<2>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(N[6a]C[6a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(CC3){1|C<3>,1|H<1>}	120.0170	0.000	1	120.0170	0.000	1	120.2406	0.601	32	120.3278	0.623	41	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:2:4:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a]C[6a]C)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(CClHH)	N[6a](C[6a]C[6a]C)(N[6a]C[6a]){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(N[6a]C[6a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(CClHH){1|C<3>,1|H<1>}	119.5205	0.193	2	119.5205	0.037	2	120.2406	0.601	32	120.3278	0.623	41	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:2:4:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a]C[6a]C)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(CHHN)	N[6a](C[6a]C[6a]C)(N[6a]C[6a]){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(N[6a]C[6a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(CHHN){1|C<3>,1|H<1>}	119.8827	0.371	3	119.8827	0.138	3	120.2406	0.601	32	120.3278	0.623	41	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:2:4:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a]C[6a]Cl)(N[6a]C[6a])	C[6a](C[6a]C[6a]C)(N[6a]N[6a])(CH3)	N[6a](C[6a]C[6a]C)(N[6a]C[6a]){1|Cl<1>,1|C<3>,1|C<4>}	N[6a](C[6a]C[6a]Cl)(N[6a]C[6a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]N[6a])(CH3){1|C<3>,1|H<1>}	120.5055	0.129	2	120.5055	0.017	2	120.2406	0.601	32	120.3278	0.623	41	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:2:4:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a]C[6a]Cl)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(CHHO)	N[6a](C[6a]C[6a]C)(N[6a]C[6a]){1|Cl<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Cl)(N[6a]C[6a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(CHHO){1|C<3>,1|H<1>}	118.6660	0.000	1	118.6660	0.000	1	120.2406	0.601	32	120.3278	0.623	41	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:2:4:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(CHHN)	N[6a](C[6a]C[6a]C)(N[6a]C[6a]){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(CHHN){1|C<3>,1|H<1>}	119.9140	0.028	2	119.9140	0.001	2	120.2406	0.601	32	120.3278	0.623	41	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:2:4:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a]C[6a]I)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(CC3)	N[6a](C[6a]C[6a]C)(N[6a]C[6a]){1|C<3>,1|H<1>,1|I<1>}	N[6a](C[6a]C[6a]I)(N[6a]C[6a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(CC3){1|C<3>,1|H<1>}	119.9690	0.000	1	119.9690	0.000	1	120.2406	0.601	32	120.3278	0.623	41	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:2:4:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])	C[6a](C[6a]N[6a]C)(N[6a]N[6a])(CCCH)	N[6a](C[6a]C[6a]C)(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<2>}	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]){1|C<4>,1|N<2>,2|C<3>}	C[6a](C[6a]N[6a]C)(N[6a]N[6a])(CCCH){1|C<3>}	120.2950	0.137	2	120.2950	0.019	2	120.2406	0.601	32	120.3278	0.623	41	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:2:4:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])	C[6a](C[6a]N[6a]C)(N[6a]N[6a])(CH3)	N[6a](C[6a]C[6a]C)(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<2>}	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]){1|C<3>,1|C<4>,2|N<2>}	C[6a](C[6a]N[6a]C)(N[6a]N[6a])(CH3){1|C<3>}	119.6560	0.000	1	119.7267	0.064	3	120.2406	0.601	32	120.3278	0.623	41	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:2:4:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])	C[6a](C[6a]N[6a]C)(N[6a]N[6a])(CH3)	N[6a](C[6a]C[6a]C)(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<2>}	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]){1|C<4>,1|N<2>,2|C<3>}	C[6a](C[6a]N[6a]C)(N[6a]N[6a])(CH3){1|C<3>}	119.7620	0.346	2	119.7267	0.064	3	120.2406	0.601	32	120.3278	0.623	41	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:2:4:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])	C[6a](C[6a]N[6a]O)(N[6a]N[6a])(CH3)	N[6a](C[6a]C[6a]C)(N[6a]C[6a]){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]){1|C<4>,1|N<3>,3|C<3>}	C[6a](C[6a]N[6a]O)(N[6a]N[6a])(CH3){1|C<3>,1|N<3>}	119.8500	0.000	1	119.8500	0.000	1	120.2406	0.601	32	120.3278	0.623	41	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:2:4:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a]C[6a]O)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(CC[6a]CH)	N[6a](C[6a]C[6a]C)(N[6a]C[6a]){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[6a]C[6a]O)(N[6a]C[6a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(CC[6a]CH){1|C<3>,1|H<1>}	120.1280	0.106	4	120.1280	0.011	4	120.2406	0.601	32	120.3278	0.623	41	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:2:4:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a]C[6a]S)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(CH3)	N[6a](C[6a]C[6a]C)(N[6a]C[6a]){1|C<3>,1|H<1>,1|S<2>}	N[6a](C[6a]C[6a]S)(N[6a]C[6a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(CH3){1|C<3>,1|H<1>}	119.2560	0.000	1	119.2560	0.000	1	120.2406	0.601	32	120.3278	0.623	41	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:2:4:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a]N[5a]N[6a])(N[6a]C[6a])	C[6a](C[6a]N[6a]C)(N[6a]N[6a])(CH3)	N[6a](C[6a]C[6a]C)(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>}	N[6a](C[6a]N[5a]N[6a])(N[6a]C[6a]){1|C<4>,3|C<3>}	C[6a](C[6a]N[6a]C)(N[6a]N[6a])(CH3){1|C<3>}	120.0000	0.000	1	120.0000	0.000	1	120.2406	0.601	32	120.3278	0.623	41	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:2:4:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a]N[6a]N)(N[6a]C[6a])	C[6a](C[6a]N[6a]C)(N[6a]N[6a])(CH3)	N[6a](C[6a]C[6a]C)(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>}	N[6a](C[6a]N[6a]N)(N[6a]C[6a]){1|C<3>,1|C<4>}	C[6a](C[6a]N[6a]C)(N[6a]N[6a])(CH3){1|C<3>}	120.5130	0.000	1	120.5130	0.000	1	120.2406	0.601	32	120.3278	0.623	41	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:2:4:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a]N[6a]S)(N[6a]C[6a])	C[6a](C[6a]N[6a]O)(N[6a]N[6a])(CC3)	N[6a](C[6a]C[6a]C)(N[6a]C[6a]){1|N<3>,1|O<1>,1|S<2>}	N[6a](C[6a]N[6a]S)(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<2>}	C[6a](C[6a]N[6a]O)(N[6a]N[6a])(CC3){1|C<3>,1|N<2>}	121.6740	0.000	1	122.0420	0.141	3	120.2406	0.601	32	120.3278	0.623	41	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:2:4:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a]N[6a]S)(N[6a]C[6a])	C[6a](C[6a]N[6a]O)(N[6a]N[6a])(CC3)	N[6a](C[6a]C[6a]C)(N[6a]C[6a]){1|N<3>,1|O<1>,1|S<2>}	N[6a](C[6a]N[6a]S)(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[6a]N[6a]O)(N[6a]N[6a])(CC3){1|C<3>,1|N<3>}	122.2260	0.280	2	122.0420	0.141	3	120.2406	0.601	32	120.3278	0.623	41	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:2:4:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a]N[6a]S)(N[6a]C[6a])	C[6a](C[6a]N[6a]O)(N[6a]N[6a])(CC[6a]HH)	N[6a](C[6a]C[6a]C)(N[6a]C[6a]){1|N<3>,1|O<1>,1|S<2>}	N[6a](C[6a]N[6a]S)(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[6a]N[6a]O)(N[6a]N[6a])(CC[6a]HH){1|C<3>,1|N<3>}	120.8305	0.108	2	120.8850	0.015	3	120.2406	0.601	32	120.3278	0.623	41	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:2:4:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a]N[6a]S)(N[6a]C[6a])	C[6a](C[6a]N[6a]O)(N[6a]N[6a])(CC[6a]HH)	N[6a](C[6a]C[6a]C)(N[6a]C[6a]){1|N<3>,1|O<1>,1|S<2>}	N[6a](C[6a]N[6a]S)(N[6a]C[6a]){1|C<3>,2|C<4>}	C[6a](C[6a]N[6a]O)(N[6a]N[6a])(CC[6a]HH){1|C<3>,1|C<4>}	120.9940	0.000	1	120.8850	0.015	3	120.2406	0.601	32	120.3278	0.623	41	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:2:4:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	N[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]N[6a]C)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[6a]N)(N[6a]N[6a])(CH3)	N[6a](C[6a]N[6a]C)(N[6a]C[6a]){1|N<3>,2|C<3>}	N[6a](C[6a]C[6a]2)(N[6a]C[6a]){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	C[6a](N[6a]C[6a]N)(N[6a]N[6a])(CH3){1|C<3>,1|O<1>}	118.7860	0.000	1	118.7860	0.000	1	118.7860	0.000	1	120.3278	0.623	41	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:3:2:	C[6a]-3:N[6a]-2:	C[5a,6a]-3:N[6a]-2:	N[5a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]N[5a])(N[6a]C[5a,6a])	N[6a](C[5a,6a]C[5a,6a]N[5,5a])(N[6a]C[6a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[5a,6a]C)(N[6a]N[6a])	N[6a](C[6a]C[6a]N[5a])(N[6a]C[5a,6a]){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5,5a])(N[6a]C[6a]){1|B<4>,2|C<3>,2|N<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[5a,6a]C)(N[6a]N[6a]){1|B<4>,1|C<4>,3|C<3>}	119.5450	0.000	1	119.5450	0.000	1	119.5450	0.000	1	120.3799	0.891	142	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:3:2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[5,6a]-3:C[5a]-3:N[6a]-2:	N[6a](C[6a]C[5,6a]C[5a])(N[6a]C[6a])	N[6a](C[6a]C[5,6a]C[5a])(N[6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[5a]C[5a]O[5a])(N[6a]N[6a])	N[6a](C[6a]C[5,6a]C[5a])(N[6a]C[6a]){1|O<2>,4|C<3>}	N[6a](C[6a]C[5,6a]C[5a])(N[6a]C[6a]){1|O<2>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[5a]C[5a]O[5a])(N[6a]N[6a]){1|H<1>,6|C<3>}	120.7225	0.633	2	120.7225	0.401	2	121.5922	0.541	9	120.3799	0.891	142	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:3:2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[5,6a]-3:C[5a]-3:N[6a]-2:	N[6a](C[6a]C[5,6a]C[5a])(N[6a]C[6a])	N[6a](C[6a]C[5,6a]C[5a])(N[6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[5a]C[5a]S[5a])(N[6a]N[6a])	N[6a](C[6a]C[5,6a]C[5a])(N[6a]C[6a]){1|S<2>,4|C<3>}	N[6a](C[6a]C[5,6a]C[5a])(N[6a]C[6a]){1|S<2>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[5a]C[5a]S[5a])(N[6a]N[6a]){1|H<1>,6|C<3>}	120.8230	0.000	1	120.8230	0.000	1	121.5922	0.541	9	120.3799	0.891	142	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:3:2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[5,6a]-3:C[5a]-3:N[6a]-2:	N[6a](C[6a]C[5,6a]C[5a])(N[6a]C[6a])	N[6a](C[6a]C[5,6a]C[5a])(N[6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[5a]C[5a]O[5a])(N[6a]N[6a])	N[6a](C[6a]C[5,6a]C[5a])(N[6a]C[6a]){1|O<2>,4|C<3>}	N[6a](C[6a]C[5,6a]C[5a])(N[6a]C[6a]){1|O<2>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[5a]C[5a]O[5a])(N[6a]N[6a]){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	121.8588	0.387	4	121.8588	0.150	4	121.5922	0.541	9	120.3799	0.891	142	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:3:2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[5,6a]-3:C[5a]-3:N[6a]-2:	N[6a](C[6a]C[5,6a]C[5a])(N[6a]C[6a])	N[6a](C[6a]C[5,6a]C[5a])(N[6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[5a]C[5a]S[5a])(N[6a]N[6a])	N[6a](C[6a]C[5,6a]C[5a])(N[6a]C[6a]){1|S<2>,4|C<3>}	N[6a](C[6a]C[5,6a]C[5a])(N[6a]C[6a]){1|S<2>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[5a]C[5a]S[5a])(N[6a]N[6a]){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	122.3135	0.216	2	122.3135	0.047	2	121.5922	0.541	9	120.3799	0.891	142	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:3:2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[5,6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[5,6a]C[6a])(N[6a]C[6a])	N[6a](C[6a]C[5,6a]C[6a])(N[6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2)(N[6a]N[6a])	N[6a](C[6a]C[5,6a]C[6a])(N[6a]C[6a]){5|C<3>}	N[6a](C[6a]C[5,6a]C[6a])(N[6a]C[6a]){5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2)(N[6a]N[6a]){1|H<1>,1|O<2>,6|C<3>}	121.2388	1.019	9	121.2039	0.840	11	120.9843	0.692	17	120.3799	0.891	142	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:3:2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[5,6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[5,6a]C[6a])(N[6a]C[6a])	N[6a](C[6a]C[5,6a]C[6a])(N[6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2)(N[6a]N[6a])	N[6a](C[6a]C[5,6a]C[6a])(N[6a]C[6a]){5|C<3>}	N[6a](C[6a]C[5,6a]C[6a])(N[6a]C[6a]){5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2)(N[6a]N[6a]){2|H<1>,6|C<3>}	121.0470	0.165	2	121.2039	0.840	11	120.9843	0.692	17	120.3799	0.891	142	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:3:2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[5,6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[5,6a]C[6a])(N[6a]C[6a])	N[6a](C[6a]C[5,6a]C[6a])(N[6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]N[6a])(N[6a]N[6a])	N[6a](C[6a]C[5,6a]C[6a])(N[6a]C[6a]){1|N<2>,4|C<3>}	N[6a](C[6a]C[5,6a]C[6a])(N[6a]C[6a]){1|N<2>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]N[6a])(N[6a]N[6a]){1|H<1>,6|C<3>}	120.8083	0.405	4	120.8083	0.164	4	120.9843	0.692	17	120.3799	0.891	142	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:3:2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[5,6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[5,6a]C[6a])(N[6a]C[6a])	N[6a](C[6a]C[5,6a]C[6a])(N[6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]N[6a]2)(N[6a]N[6a])	N[6a](C[6a]C[5,6a]C[6a])(N[6a]C[6a]){2|N<2>,3|C<3>}	N[6a](C[6a]C[5,6a]C[6a])(N[6a]C[6a]){2|N<2>,3|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]N[6a]2)(N[6a]N[6a]){6|C<3>}	120.1285	0.251	2	120.1285	0.063	2	120.9843	0.692	17	120.3799	0.891	142	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:3:2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[5,6a]-3:N[5a]-3:N[6a]-2:	N[6a](C[6a]C[5,6a]N[5a])(N[6a]C[6a])	N[6a](C[6a]C[5,6a]N[5a])(N[6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(N[5a]C[5a]N[5a])(N[6a]N[6a])	N[6a](C[6a]C[5,6a]N[5a])(N[6a]C[6a]){1|N<2>,1|N<3>,3|C<3>}	N[6a](C[6a]C[5,6a]N[5a])(N[6a]C[6a]){1|N<2>,1|N<3>,3|C<3>}	C[6a](C[5,6a]C[5,6a]2)(N[5a]C[5a]N[5a])(N[6a]N[6a]){1|C<4>,6|C<3>}	120.3805	1.101	2	120.3805	1.212	2	120.3805	1.212	2	120.3799	0.891	142	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:3:2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[5]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]C[5])(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(N[6a]N[6a])	N[6a](C[6a]C[6a]C[5])(N[6a]C[6a]){1|H<1>,1|N<2>,3|C<3>}	N[6a](C[6a]C[5a]C[6a])(N[6a]C[6a]){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(N[6a]N[6a]){1|C<4>,1|H<1>,3|C<3>}	120.0000	0.000	1	120.0000	0.000	1	119.9565	0.004	2	120.3799	0.891	142	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:3:2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[5]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]C[5])(N[6a]C[6a])	N[6a](C[6a]C[6a]C[5])(N[6a]C[6a])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(N[6a]N[6a])	N[6a](C[6a]C[6a]C[5])(N[6a]C[6a]){1|H<1>,1|N<2>,3|C<3>}	N[6a](C[6a]C[6a]C[5])(N[6a]C[6a]){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(N[6a]N[6a]){1|C<4>,1|H<1>,3|C<3>}	119.9130	0.000	1	119.9130	0.000	1	119.9565	0.004	2	120.3799	0.891	142	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:3:2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	N[6a](C[6a]C[5a,6a]C[5a])(N[6a]C[6a])	N[6a](C[6a]C[5a,6a]C[5a])(N[6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]O[5a])(N[6a]N[6a])	N[6a](C[6a]C[5a,6a]C[5a])(N[6a]C[6a]){1|O<2>,4|C<3>}	N[6a](C[6a]C[5a,6a]C[5a])(N[6a]C[6a]){1|O<2>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]O[5a])(N[6a]N[6a]){1|H<1>,6|C<3>}	121.4705	0.435	4	121.4705	0.189	4	121.4705	0.189	4	120.3799	0.891	142	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:3:2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[5a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]N[6a])	N[6a](C[6a]C[5a]C[6a])(N[6a]C[6a]){1|H<1>,1|N<3>,3|C<3>}	N[6a](C[6a]C[5a]C[6a])(N[6a]C[6a]){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]N[6a]){1|C<4>,2|H<1>,3|C<3>}	120.5590	0.587	2	120.5590	0.344	2	120.1188	0.228	6	120.3799	0.891	142	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:3:2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[5a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)(N[6a]N[6a])	N[6a](C[6a]C[5a]C[6a])(N[6a]C[6a]){1|H<1>,1|S<2>,3|C<3>}	N[6a](C[6a]C[5a]C[6a])(N[6a]C[6a]){1|H<1>,1|S<2>,3|C<3>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)(N[6a]N[6a]){2|H<1>,3|C<3>}	120.0940	0.127	2	120.0940	0.016	2	120.1188	0.228	6	120.3799	0.891	142	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:3:2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[5a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])	N[6a](C[6a]C[6a]C[5])(N[6a]C[6a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]N[6a])	N[6a](C[6a]C[5a]C[6a])(N[6a]C[6a]){1|H<1>,1|N<3>,3|C<3>}	N[6a](C[6a]C[6a]C[5])(N[6a]C[6a]){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]N[6a]){1|C<4>,2|H<1>,3|C<3>}	119.8530	0.000	1	119.8530	0.000	1	120.1188	0.228	6	120.3799	0.891	142	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:3:2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[5a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[5a]N[6a])(N[6a]N[6a])	N[6a](C[6a]C[5a]C[6a])(N[6a]C[6a]){1|N<2>,1|O<2>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]){1|N<2>,3|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[5a]N[6a])(N[6a]N[6a]){1|H<1>,1|O<2>,4|C<3>}	119.5540	0.000	1	119.5540	0.000	1	120.1188	0.228	6	120.3799	0.891	142	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:3:2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6,6,6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6,6,6a]C[6a])(N[6a]C[6a])	N[6a](C[6a]C[6,6,6a]Cl)(N[6a]C[6a])	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6,6,6a]N[6a])(N[6a]N[6a])	N[6a](C[6a]C[6,6,6a]C[6a])(N[6a]C[6a]){1|Cl<1>,1|C<4>,1|N<2>,2|C<3>}	N[6a](C[6a]C[6,6,6a]Cl)(N[6a]C[6a]){1|C<4>,2|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6,6,6a]N[6a])(N[6a]N[6a]){1|H<1>,1|N<2>,2|C<4>,4|C<3>}	120.1750	0.000	1	120.1750	0.000	1	120.3300	0.123	3	120.3799	0.891	142	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:3:2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6,6,6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6,6,6a]C[6a])(N[6a]C[6a])	N[6a](C[6a]C[6,6,6a]O)(N[6a]C[6a])	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6,6,6a]N[6a])(N[6a]N[6a])	N[6a](C[6a]C[6,6,6a]C[6a])(N[6a]C[6a]){1|C<4>,1|N<2>,1|O<2>,2|C<3>}	N[6a](C[6a]C[6,6,6a]O)(N[6a]C[6a]){1|C<4>,2|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6,6,6a]N[6a])(N[6a]N[6a]){1|H<1>,1|N<2>,2|C<4>,4|C<3>}	120.0830	0.000	1	120.0830	0.000	1	120.3300	0.123	3	120.3799	0.891	142	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:3:2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6,6,6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6,6,6a]C[6a])(N[6a]C[6a])	N[6a](C[6a]C[6,6,6a]O)(N[6a]C[6a])	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]2)(N[6a]N[6a])	N[6a](C[6a]C[6,6,6a]C[6a])(N[6a]C[6a]){1|C<4>,1|O<2>,3|C<3>}	N[6a](C[6a]C[6,6,6a]O)(N[6a]C[6a]){1|C<4>,2|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]2)(N[6a]N[6a]){1|C<4>,1|F<1>,2|H<1>,5|C<3>}	120.7320	0.000	1	120.7320	0.000	1	120.3300	0.123	3	120.3799	0.891	142	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:3:2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[5a]-3:N[6a]-2:	N[6a](C[6a]C[6a,6a]C[5a])(N[6a]C[6a])	N[6a](C[6a]C[6a,6a]C[5a])(N[6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]S[5a])(N[6a]N[6a])	N[6a](C[6a]C[6a,6a]C[5a])(N[6a]C[6a]){1|S<2>,4|C<3>}	N[6a](C[6a]C[6a,6a]C[5a])(N[6a]C[6a]){1|S<2>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]S[5a])(N[6a]N[6a]){2|H<1>,5|C<3>}	120.5045	0.825	2	120.5045	0.681	2	120.5045	0.681	2	120.3799	0.891	142	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:3:2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a])	N[6a](C[6a]C[6a,6a]C)(N[6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]N[6a])	N[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a]){5|C<3>}	N[6a](C[6a]C[6a,6a]C)(N[6a]C[6a]){3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]N[6a]){3|H<1>,5|C<3>}	120.1430	0.000	1	120.1430	0.000	1	120.3007	0.210	6	120.3799	0.891	142	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:3:2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a])	N[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]N[6a])	N[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a]){5|C<3>}	N[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a]){5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]N[6a]){3|H<1>,5|C<3>}	120.3555	0.875	2	120.3555	0.765	2	120.3007	0.210	6	120.3799	0.891	142	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:3:2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a])	N[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(N[6a]N[6a])	N[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a]){1|N<2>,4|C<3>}	N[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a]){1|N<2>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(N[6a]N[6a]){2|H<1>,5|C<3>}	120.5130	0.144	2	120.5130	0.021	2	120.3007	0.210	6	120.3799	0.891	142	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:3:2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a])	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]N[6a])	N[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a]){1|O<2>,4|C<3>}	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a]){3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]N[6a]){3|H<1>,5|C<3>}	119.9240	0.000	1	119.9240	0.000	1	120.3007	0.210	6	120.3799	0.891	142	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:3:2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]2)(N[6a]N[6a])	N[6a](C[6a]C[6a]2)(N[6a]C[6a]){5|C<3>}	N[6a](C[6a]C[6a]2)(N[6a]C[6a]){1|H<1>,4|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]2)(N[6a]N[6a]){3|H<1>,5|C<3>}	121.0370	0.000	1	121.0370	0.000	1	120.2555	0.748	77	120.3799	0.891	142	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:3:2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]N[6a])	N[6a](C[6a]C[6a]2)(N[6a]C[6a]){1|C<4>,4|C<3>}	N[6a](C[6a]C[6a]2)(N[6a]C[6a]){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]N[6a]){3|C<3>,3|H<1>}	120.5450	0.000	1	120.6280	0.014	2	120.2555	0.748	77	120.3799	0.891	142	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:3:2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]N[6a])	N[6a](C[6a]C[6a]2)(N[6a]C[6a]){5|C<3>}	N[6a](C[6a]C[6a]2)(N[6a]C[6a]){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]N[6a]){3|C<3>,3|H<1>}	120.7110	0.000	1	120.6280	0.014	2	120.2555	0.748	77	120.3799	0.891	142	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:3:2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]N[6a])	N[6a](C[6a]C[6a]2)(N[6a]C[6a]){1|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)(N[6a]C[6a]){1|C<4>,4|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]N[6a]){1|C<4>,2|H<1>,3|C<3>}	120.3180	0.000	1	119.9769	0.369	7	120.2555	0.748	77	120.3799	0.891	142	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:3:2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]N[6a])	N[6a](C[6a]C[6a]2)(N[6a]C[6a]){1|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)(N[6a]C[6a]){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]N[6a]){3|C<3>,3|H<1>}	120.2390	0.000	1	119.9769	0.369	7	120.2555	0.748	77	120.3799	0.891	142	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:3:2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]N[6a])	N[6a](C[6a]C[6a]2)(N[6a]C[6a]){1|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)(N[6a]C[6a]){5|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]N[6a]){1|N<2>,2|H<1>,3|C<3>}	119.6540	0.000	1	119.9769	0.369	7	120.2555	0.748	77	120.3799	0.891	142	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:3:2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]N[6a])	N[6a](C[6a]C[6a]2)(N[6a]C[6a]){1|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)(N[6a]C[6a]){5|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]N[6a]){2|H<1>,4|C<3>}	119.9068	0.797	4	119.9769	0.369	7	120.2555	0.748	77	120.3799	0.891	142	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:3:2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]2)2(N[6a]N[6a])	N[6a](C[6a]C[6a]2)(N[6a]C[6a]){5|C<3>}	N[6a](C[6a]C[6a]2)(N[6a]C[6a]){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]2)2(N[6a]N[6a]){1|N<2>,3|H<1>,4|C<3>}	120.3540	0.000	1	120.7847	0.161	3	120.2555	0.748	77	120.3799	0.891	142	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:3:2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]2)2(N[6a]N[6a])	N[6a](C[6a]C[6a]2)(N[6a]C[6a]){5|C<3>}	N[6a](C[6a]C[6a]2)(N[6a]C[6a]){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]2)2(N[6a]N[6a]){3|H<1>,5|C<3>}	121.0000	0.209	2	120.7847	0.161	3	120.2555	0.748	77	120.3799	0.891	142	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:3:2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]N[6a])	N[6a](C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,4|C<3>}	N[6a](C[6a]C[6a]2)(N[6a]C[6a]){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]N[6a]){1|N<2>,2|H<1>,4|C<3>}	120.8630	0.000	1	120.7542	0.329	12	120.2555	0.748	77	120.3799	0.891	142	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:3:2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]N[6a])	N[6a](C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,4|C<3>}	N[6a](C[6a]C[6a]2)(N[6a]C[6a]){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]N[6a]){2|H<1>,5|C<3>}	121.0267	0.368	8	120.7542	0.329	12	120.2555	0.748	77	120.3799	0.891	142	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:3:2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]N[6a])	N[6a](C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,4|C<3>}	N[6a](C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]N[6a]){1|H<1>,6|C<3>}	119.9913	0.398	3	120.7542	0.329	12	120.2555	0.748	77	120.3799	0.891	142	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:3:2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(N[6a]N[6a])	N[6a](C[6a]C[6a]2)(N[6a]C[6a]){1|C<4>,1|N<2>,3|C<3>}	N[6a](C[6a]C[6a]2)(N[6a]C[6a]){1|C<4>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(N[6a]N[6a]){1|C<4>,1|H<1>,3|C<3>}	119.6535	0.798	2	120.6248	0.952	5	120.2555	0.748	77	120.3799	0.891	142	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:3:2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(N[6a]N[6a])	N[6a](C[6a]C[6a]2)(N[6a]C[6a]){1|C<4>,1|N<2>,3|C<3>}	N[6a](C[6a]C[6a]2)(N[6a]C[6a]){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(N[6a]N[6a]){2|H<1>,3|C<3>}	121.2723	0.116	3	120.6248	0.952	5	120.2555	0.748	77	120.3799	0.891	142	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:3:2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]N[6a])	N[6a](C[6a]C[6a]2)(N[6a]C[6a]){1|H<1>,1|N<2>,3|C<3>}	N[6a](C[6a]C[6a]2)(N[6a]C[6a]){1|C<4>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]N[6a]){1|C<4>,1|H<1>,3|C<3>}	119.0947	0.122	3	119.3335	0.123	14	120.2555	0.748	77	120.3799	0.891	142	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:3:2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]N[6a])	N[6a](C[6a]C[6a]2)(N[6a]C[6a]){1|H<1>,1|N<2>,3|C<3>}	N[6a](C[6a]C[6a]2)(N[6a]C[6a]){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]N[6a]){2|H<1>,3|C<3>}	119.7865	0.842	2	119.3335	0.123	14	120.2555	0.748	77	120.3799	0.891	142	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:3:2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]N[6a])	N[6a](C[6a]C[6a]2)(N[6a]C[6a]){1|H<1>,1|N<2>,3|C<3>}	N[6a](C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]N[6a]){1|H<1>,4|C<3>}	119.3124	0.186	9	119.3335	0.123	14	120.2555	0.748	77	120.3799	0.891	142	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:3:2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a]C)(N[6a]C[6a])	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]N[6a])	N[6a](C[6a]C[6a]2)(N[6a]C[6a]){1|C<4>,1|H<1>,3|C<3>}	N[6a](C[6a]C[6a]C)(N[6a]C[6a]){1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]N[6a]){1|N<3>,2|H<1>,3|C<3>}	118.4840	0.000	1	119.2655	1.221	2	120.2555	0.748	77	120.3799	0.891	142	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:3:2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a]C)(N[6a]C[6a])	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]N[6a])	N[6a](C[6a]C[6a]2)(N[6a]C[6a]){1|H<1>,4|C<3>}	N[6a](C[6a]C[6a]C)(N[6a]C[6a]){3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]N[6a]){2|H<1>,4|C<3>}	120.0470	0.000	1	119.2655	1.221	2	120.2555	0.748	77	120.3799	0.891	142	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:3:2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a]Cl)(N[6a]C[6a])	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(N[6a]N[6a])	N[6a](C[6a]C[6a]2)(N[6a]C[6a]){1|Cl<1>,1|O<2>,3|C<3>}	N[6a](C[6a]C[6a]Cl)(N[6a]C[6a]){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(N[6a]N[6a]){1|C<4>,2|H<1>,3|C<3>}	120.5430	0.000	1	120.5430	0.000	1	120.2555	0.748	77	120.3799	0.891	142	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:3:2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])	C[6a](C[6a]C[3x3,4,3x5,14x6]N[6a])(C[6a]C[6a]2)(N[6a]N[6a])	N[6a](C[6a]C[6a]2)(N[6a]C[6a]){1|C<5>,1|N<2>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]){1|N<2>,3|C<3>}	C[6a](C[6a]C[3x3,4,3x5,14x6]N[6a])(C[6a]C[6a]2)(N[6a]N[6a]){2|H<1>,3|C<3>,4|B<6>}	120.6200	0.000	1	120.6200	0.000	1	120.2555	0.748	77	120.3799	0.891	142	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:3:2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(N[6a]N[6a])	N[6a](C[6a]C[6a]2)(N[6a]C[6a]){1|H<1>,1|N<2>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]){1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(N[6a]N[6a]){2|H<1>,3|C<3>}	119.3560	0.000	1	119.3560	0.000	1	120.2555	0.748	77	120.3799	0.891	142	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:3:2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]N[6a])	N[6a](C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,4|C<3>}	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]){1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]N[6a]){2|H<1>,5|C<3>}	119.8233	0.315	4	119.8023	0.117	8	120.2555	0.748	77	120.3799	0.891	142	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:3:2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]N[6a])	N[6a](C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,4|C<3>}	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]){4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]N[6a]){2|H<1>,5|C<3>}	119.7812	0.415	4	119.8023	0.117	8	120.2555	0.748	77	120.3799	0.891	142	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:3:2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]2)(N[6a]N[6a])	N[6a](C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,1|N<3>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]){4|C<3>}	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]2)(N[6a]N[6a]){2|C<4>,2|H<1>,3|C<3>}	120.9400	0.000	1	120.9400	0.000	1	120.2555	0.748	77	120.3799	0.891	142	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:3:2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a]O)(N[6a]C[6a])	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]N[6a])	N[6a](C[6a]C[6a]2)(N[6a]C[6a]){1|H<1>,1|O<2>,3|C<3>}	N[6a](C[6a]C[6a]O)(N[6a]C[6a]){1|B<3>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]N[6a]){1|B<3>,2|H<1>,3|C<3>}	120.2460	0.000	1	120.1217	0.071	3	120.2555	0.748	77	120.3799	0.891	142	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:3:2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a]O)(N[6a]C[6a])	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]N[6a])	N[6a](C[6a]C[6a]2)(N[6a]C[6a]){1|H<1>,1|O<2>,3|C<3>}	N[6a](C[6a]C[6a]O)(N[6a]C[6a]){3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]N[6a]){2|H<1>,4|C<3>}	120.0595	0.344	2	120.1217	0.071	3	120.2555	0.748	77	120.3799	0.891	142	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:3:2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]N[6a]C)(N[6a]C[6a])	C[6a](C[6a]C[6a]2)(C[6a]N[6a]O)(N[6a]N[6a])	N[6a](C[6a]C[6a]2)(N[6a]C[6a]){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	N[6a](C[6a]N[6a]C)(N[6a]C[6a]){1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]O)(N[6a]N[6a]){1|N<3>,2|H<1>,3|C<3>}	121.8320	0.000	1	121.8320	0.000	1	120.2555	0.748	77	120.3799	0.891	142	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:3:2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]N[6a]N)(N[6a]C[6a])	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(N[6a]N[6a])	N[6a](C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,2|C<3>,2|N<3>}	N[6a](C[6a]N[6a]N)(N[6a]C[6a]){2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(N[6a]N[6a]){1|Cl<1>,1|H<1>,3|C<3>}	120.5913	1.299	8	120.8114	1.193	12	120.2555	0.748	77	120.3799	0.891	142	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:3:2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]N[6a]N)(N[6a]C[6a])	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(N[6a]N[6a])	N[6a](C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,2|C<3>,2|N<3>}	N[6a](C[6a]N[6a]N)(N[6a]C[6a]){2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(N[6a]N[6a]){1|F<1>,1|H<1>,3|C<3>}	121.4140	0.025	2	120.8114	1.193	12	120.2555	0.748	77	120.3799	0.891	142	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:3:2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]N[6a]N)(N[6a]C[6a])	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(N[6a]N[6a])	N[6a](C[6a]C[6a]2)(N[6a]C[6a]){1|N<3>,2|C<3>,2|N<2>}	N[6a](C[6a]N[6a]N)(N[6a]C[6a]){2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(N[6a]N[6a]){1|Br<1>,1|H<1>,3|C<3>}	121.2410	0.000	1	120.8114	1.193	12	120.2555	0.748	77	120.3799	0.891	142	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:3:2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]N[6a]N)(N[6a]C[6a])	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(N[6a]N[6a])	N[6a](C[6a]C[6a]2)(N[6a]C[6a]){1|N<3>,2|C<3>,2|N<2>}	N[6a](C[6a]N[6a]N)(N[6a]C[6a]){2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(N[6a]N[6a]){1|Cl<1>,1|H<1>,3|C<3>}	120.9380	0.000	1	120.8114	1.193	12	120.2555	0.748	77	120.3799	0.891	142	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:3:2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]N[6a]N)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]N[6a])	N[6a](C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,1|N<3>,3|C<3>}	N[6a](C[6a]N[6a]N)(N[6a]C[6a]){2|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]N[6a]){2|H<1>,5|C<3>}	121.1030	0.000	1	121.1030	0.000	1	120.2555	0.748	77	120.3799	0.891	142	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:3:2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]N[6a]S)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]N[6a])	N[6a](C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,1|S<2>,3|C<3>}	N[6a](C[6a]N[6a]S)(N[6a]C[6a]){2|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]N[6a]){2|H<1>,5|C<3>}	120.4500	0.058	2	120.4500	0.003	2	120.2555	0.748	77	120.3799	0.891	142	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:3:2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[5a]-3:N[6a]-2:	N[6a](C[6a]C[6a]N[5a])(N[6a]C[6a])	N[6a](C[6a]C[6a]N[5a])(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[5a]C[5a]2)(N[6a]N[6a])	N[6a](C[6a]C[6a]N[5a])(N[6a]C[6a]){1|H<1>,1|N<3>,3|C<3>}	N[6a](C[6a]C[6a]N[5a])(N[6a]C[6a]){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[5a]C[5a]2)(N[6a]N[6a]){1|N<2>,2|C<3>,3|H<1>}	119.1195	0.063	2	119.1195	0.004	2	119.1195	0.004	2	120.3799	0.891	142	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:3:2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])	N[6a](C[6a]C[6a]C)(N[6a]C[6a])	C[6a](C[6a]C[6a]2)(N[6a]C[6a]N)(N[6a]N[6a])	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]){1|C<4>,1|N<3>,3|C<3>}	N[6a](C[6a]C[6a]C)(N[6a]C[6a]){1|C<3>,1|N<3>,1|O<1>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a]N)(N[6a]N[6a]){1|O<1>,2|H<1>,3|C<3>}	120.1010	0.000	1	120.1010	0.000	1	120.1010	0.000	1	120.3799	0.891	142	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:3:2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	N[5a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]N[5a])(N[6a]C[6a])	N[6a](C[6a]C[6a]Cl)(N[6a]C[6a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]N[6a])	N[6a](C[6a]C[6a]N[5a])(N[6a]C[6a]){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	N[6a](C[6a]C[6a]Cl)(N[6a]C[6a]){1|C<3>,1|H<1>,1|N<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]N[6a]){1|C<4>,1|H<1>,3|C<3>}	119.4630	0.000	1	119.3000	0.036	3	119.4245	1.021	10	120.3799	0.891	142	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:3:2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	N[5a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]N[5a])(N[6a]C[6a])	N[6a](C[6a]C[6a]Cl)(N[6a]C[6a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]N[6a])	N[6a](C[6a]C[6a]N[5a])(N[6a]C[6a]){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	N[6a](C[6a]C[6a]Cl)(N[6a]C[6a]){1|C<3>,1|H<1>,1|N<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]N[6a]){1|H<1>,1|N<3>,3|C<3>}	119.3470	0.000	1	119.3000	0.036	3	119.4245	1.021	10	120.3799	0.891	142	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:3:2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	N[5a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]N[5a])(N[6a]C[6a])	N[6a](C[6a]C[6a]Cl)(N[6a]C[6a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]N[6a])	N[6a](C[6a]C[6a]N[5a])(N[6a]C[6a]){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	N[6a](C[6a]C[6a]Cl)(N[6a]C[6a]){1|C<3>,1|H<1>,1|N<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]N[6a]){2|H<1>,3|C<3>}	119.0900	0.000	1	119.3000	0.036	3	119.4245	1.021	10	120.3799	0.891	142	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:3:2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	N[5a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]N[5a])(N[6a]C[6a])	N[6a](C[6a]C[6a]N)(N[6a]C[6a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]N[6a])	N[6a](C[6a]C[6a]N[5a])(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[6a](C[6a]C[6a]N)(N[6a]C[6a]){1|C<3>,1|H<1>,1|N<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]N[6a]){1|C<4>,1|H<1>,3|C<3>}	119.7990	0.000	1	119.7590	0.087	4	119.4245	1.021	10	120.3799	0.891	142	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:3:2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	N[5a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]N[5a])(N[6a]C[6a])	N[6a](C[6a]C[6a]N)(N[6a]C[6a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]N[6a])	N[6a](C[6a]C[6a]N[5a])(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[6a](C[6a]C[6a]N)(N[6a]C[6a]){1|C<3>,1|H<1>,1|N<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]N[6a]){2|H<1>,3|C<3>}	119.7457	0.361	3	119.7590	0.087	4	119.4245	1.021	10	120.3799	0.891	142	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:3:2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	N[5a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]N[5a])(N[6a]C[6a])	N[6a](C[6a]C[6a]N[5a])(N[6a]C[6a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]N[6a])	N[6a](C[6a]C[6a]N[5a])(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[6a](C[6a]C[6a]N[5a])(N[6a]C[6a]){1|N<2>,1|N<3>,1|S<2>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]N[6a]){1|H<1>,1|S<2>,3|C<3>}	116.9940	0.000	1	116.9940	0.000	1	119.4245	1.021	10	120.3799	0.891	142	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:3:2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	N[5a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]N[5a])(N[6a]C[6a])	N[6a](C[6a]C[6a]N[5a])(N[6a]C[6a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]S)(N[6a]N[6a])	N[6a](C[6a]C[6a]N[5a])(N[6a]C[6a]){1|N<2>,1|N<3>,1|S<2>,2|C<3>}	N[6a](C[6a]C[6a]N[5a])(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]S)(N[6a]N[6a]){2|H<1>,3|C<3>}	120.9870	0.000	1	120.9870	0.000	1	119.4245	1.021	10	120.3799	0.891	142	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:3:2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	N[5a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]N[5a])(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6])(N[6a]C[6a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]N[6a])	N[6a](C[6a]C[6a]N[5a])(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[6a](C[6a]C[6a]N[6])(N[6a]C[6a]){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]N[6a]){2|H<1>,3|C<3>}	119.3280	0.000	1	119.3280	0.000	1	119.4245	1.021	10	120.3799	0.891	142	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	3:4:2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[5,6a]-3:C[5]-4:N[6a]-2:	N[6a](C[6a]C[5,6a]C[5])(N[6a]C[6a])	N[6a](C[6a]C[5,6a]C[5])(N[6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[5]C[5]2Fe)(N[6a]N[6a])	N[6a](C[6a]C[5,6a]C[5])(N[6a]C[6a]){1|Fe<10>,2|C<3>,3|C<4>}	N[6a](C[6a]C[5,6a]C[5])(N[6a]C[6a]){1|Fe<10>,2|C<3>,3|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[5]C[5]2Fe)(N[6a]N[6a]){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	121.3890	0.561	2	121.3890	0.315	2	121.3890	0.315	2	121.3890	0.315	2	118.7406	3.023	748	118.8496	2.970	811
371	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:	3:2:	4:3:2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[5]-4:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]C[5])(N[6a]C[6a])	N[6a](C[6a]C[6a]Cl)(N[6a]C[6a])	C[6a](C[5]C[5]2Fe)(C[6a]C[6a]H)(N[6a]N[6a])	N[6a](C[6a]C[6a]C[5])(N[6a]C[6a]){1|Fe<10>,1|Cl<1>,1|C<3>,1|H<1>,2|C<4>}	N[6a](C[6a]C[6a]Cl)(N[6a]C[6a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5]C[5]2Fe)(C[6a]C[6a]H)(N[6a]N[6a]){1|C<3>,2|C<4>,3|H<1>}	119.7500	0.072	2	119.7500	0.005	2	119.7500	0.005	2	119.7500	0.005	2	118.7406	3.023	748	118.8496	2.970	811
371	371	727	6:SP2_SP2_SP2	N[6a]	N[6a]	C[5,6a]	3:2:	2:3:	3:2:2:	C[5,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:	N[5,6a]-3:N[6a]-2:N[5]-2:	N[6a](C[5,6a]N[5,6a]N[5])(N[6a]C[6a])	N[6a](N[6a]C[5,6a])(C[6a]N[6a]H)	C[5,6a](N[5,6a]N[6a]C[5])(N[6a]N[6a])(N[5]N[5])	N[6a](C[5,6a]N[5,6a]N[5])(N[6a]C[6a]){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N[6a](N[6a]C[5,6a])(C[6a]N[6a]H){1|N<2>,1|N<3>}	C[5,6a](N[5,6a]N[6a]C[5])(N[6a]N[6a])(N[5]N[5]){1|C<3>,1|H<1>,1|N<2>}	116.8840	0.000	1	116.8840	0.000	1	116.8030	0.013	2	116.6037	0.059	4	117.1311	0.635	14	117.1771	2.492	72
371	371	727	6:SP2_SP2_SP2	N[6a]	N[6a]	C[5,6a]	3:2:	2:3:	3:2:2:	C[5,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:	N[5,6a]-3:N[6a]-2:N[5]-2:	N[6a](C[5,6a]N[5,6a]N[5])(N[6a]C[6a])	N[6a](N[6a]C[5,6a])(C[6a]N[6a]N)	C[5,6a](N[5,6a]N[6a]C[5])(N[6a]N[6a])(N[5]N[5])	N[6a](C[5,6a]N[5,6a]N[5])(N[6a]C[6a]){1|C<3>,1|N<3>,2|N<2>}	N[6a](N[6a]C[5,6a])(C[6a]N[6a]N){1|N<2>,1|N<3>}	C[5,6a](N[5,6a]N[6a]C[5])(N[6a]N[6a])(N[5]N[5]){1|C<3>,1|H<1>,1|N<2>}	116.7220	0.000	1	116.7220	0.000	1	116.8030	0.013	2	116.6037	0.059	4	117.1311	0.635	14	117.1771	2.492	72
371	371	727	6:SP2_SP2_SP2	N[6a]	N[6a]	C[5,6a]	3:2:	2:3:	3:2:2:	C[5,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:	N[5,6a]-3:N[6a]-2:S[5]-2:	N[6a](C[5,6a]N[5,6a]S[5])(N[6a]C[6a])	N[6a](N[6a]C[5,6a])(C[6a]C[6a]2)	C[5,6a](N[5,6a]C[6a]C[5])(N[6a]N[6a])(S[5]C[5])	N[6a](C[5,6a]N[5,6a]S[5])(N[6a]C[6a]){2|C<3>,2|C<4>}	N[6a](N[6a]C[5,6a])(C[6a]C[6a]2){1|N<3>,1|O<1>,1|S<2>,2|C<3>}	C[5,6a](N[5,6a]C[6a]C[5])(N[6a]N[6a])(S[5]C[5]){1|C<3>,1|O<1>,4|H<1>}	116.4045	0.078	2	116.4045	0.006	2	116.4045	0.006	2	116.6037	0.059	4	117.1311	0.635	14	117.1771	2.492	72
371	371	727	6:SP2_SP2_SP2	N[6a]	N[6a]	C[5,6a]	3:2:	2:3:	3:3:2:	C[5,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	N[6a](C[5,6a]C[5,6a]2)(N[6a]C[6a])	N[6a](N[6a]C[5,6a])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(N[6a]N[6a])	N[6a](C[5,6a]C[5,6a]2)(N[6a]C[6a]){5|C<3>}	N[6a](N[6a]C[5,6a])(C[6a]C[6a]2){5|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(N[6a]N[6a]){1|H<1>,5|C<3>}	117.5380	0.000	1	117.5380	0.000	1	117.4290	0.078	3	117.4290	0.078	3	117.1311	0.635	14	117.1771	2.492	72
371	371	727	6:SP2_SP2_SP2	N[6a]	N[6a]	C[5,6a]	3:2:	2:3:	3:3:2:	C[5,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	N[6a](C[5,6a]C[5,6a]2)(N[6a]C[6a])	N[6a](N[6a]C[5,6a])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(N[6a]N[6a])	N[6a](C[5,6a]C[5,6a]2)(N[6a]C[6a]){5|C<3>}	N[6a](N[6a]C[5,6a])(C[6a]C[6a]2){5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(N[6a]N[6a]){1|H<1>,1|O<1>,4|C<3>}	117.3745	0.371	2	117.3745	0.138	2	117.4290	0.078	3	117.4290	0.078	3	117.1311	0.635	14	117.1771	2.492	72
371	371	727	6:SP2_SP2_SP2	N[6a]	N[6a]	C[5,6a]	3:2:	3:2:	3:2:2:	C[5,6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:	N[5,6a]-3:N[6a]-2:S[5]-2:	N[6a](C[5,6a]N[5,6a]S[5])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]2)(N[6a]C[5,6a])	C[5,6a](N[5,6a]C[6a,6a]C[5])(N[6a]N[6a])(S[5]C[5])	N[6a](C[5,6a]N[5,6a]S[5])(N[6a]C[6a,6a]){4|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(N[6a]C[5,6a]){1|N<3>,1|S<2>,3|C<3>}	C[5,6a](N[5,6a]C[6a,6a]C[5])(N[6a]N[6a])(S[5]C[5]){2|C<3>,2|H<1>}	118.6720	0.000	2	118.6720	0.000	2	118.6720	0.000	2	118.6720	0.000	2	117.1311	0.635	14	117.1771	2.492	72
371	371	727	6:SP2_SP2_SP2	N[6a]	N[6a]	C[5,6a]	3:2:	3:2:	3:3:2:	C[5,6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:	N[5,6a]-3:N[5]-3:N[6a]-2:	N[6a](C[5,6a]N[5,6a]N[5])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5,6a])	C[5,6a](N[5,6a]C[6a,6a]N[5])(N[5]C[5]Cd)(N[6a]N[6a])	N[6a](C[5,6a]N[5,6a]N[5])(N[6a]C[6a,6a]){1|Cd<6>,1|N<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5,6a]){1|H<1>,2|C<3>,2|N<3>}	C[5,6a](N[5,6a]C[6a,6a]N[5])(N[5]C[5]Cd)(N[6a]N[6a]){1|H<1>,2|C<3>}	117.2910	0.000	1	117.2910	0.000	1	117.1920	0.020	2	116.7578	0.273	5	117.1311	0.635	14	117.1771	2.492	72
371	371	727	6:SP2_SP2_SP2	N[6a]	N[6a]	C[5,6a]	3:2:	3:2:	3:3:2:	C[5,6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:	N[5,6a]-3:N[5]-3:N[6a]-2:	N[6a](C[5,6a]N[5,6a]N[5])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5,6a])	C[5,6a](N[5,6a]C[6a,6a]N[5])(N[5]C[5]Mn)(N[6a]N[6a])	N[6a](C[5,6a]N[5,6a]N[5])(N[6a]C[6a,6a]){1|Mn<6>,1|N<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5,6a]){1|H<1>,2|C<3>,2|N<3>}	C[5,6a](N[5,6a]C[6a,6a]N[5])(N[5]C[5]Mn)(N[6a]N[6a]){1|H<1>,2|C<3>}	117.0930	0.000	1	117.0930	0.000	1	117.1920	0.020	2	116.7578	0.273	5	117.1311	0.635	14	117.1771	2.492	72
371	371	727	6:SP2_SP2_SP2	N[6a]	N[6a]	C[5,6a]	3:2:	3:2:	3:3:2:	C[5,6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	N[6a](C[5,6a]C[5,6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6a])(N[6a]C[5,6a])	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[6a]N[6a])	N[6a](C[5,6a]C[5,6a]2)(N[6a]C[6a]){1|N<2>,4|C<3>}	N[6a](C[6a]C[6a]N[6a])(N[6a]C[5,6a]){1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[6a]N[6a]){1|H<1>,4|C<3>}	116.4683	0.471	3	116.4683	0.222	3	116.4683	0.222	3	116.7578	0.273	5	117.1311	0.635	14	117.1771	2.492	72
371	371	727	6:SP2_SP2_SP2	N[6a]	N[6a]	C[5a,6a]	3:2:	2:2:	3:3:2:	C[5a,6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]N[6a])	N[6a](N[6a]C[5a,6a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C[5])(N[6a]N[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]N[6a]){1|C<4>,1|N<2>,2|C<3>}	N[6a](N[6a]C[5a,6a])(N[6a]C[6a]){1|C<3>,2|N<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C[5])(N[6a]N[6a]){1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|H<1>}	113.9765	0.036	2	113.9765	0.001	2	113.9765	0.001	2	113.9765	0.001	2	117.1882	2.958	58	117.1771	2.492	72
371	371	727	6:SP2_SP2_SP2	N[6a]	N[6a]	C[5a,6a]	3:2:	2:3:	3:2:2:	C[5a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	N[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])	N[6a](N[6a]C[5a,6a])(C[6a]C[6a]Cl)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a])(N[6a]N[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]){1|Cl<1>,1|C<3>,1|N<2>,1|N<3>}	N[6a](N[6a]C[5a,6a])(C[6a]C[6a]Cl){1|C<3>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a])(N[6a]N[6a]){1|C<3>,1|N<3>,1|O<1>}	114.6795	0.293	2	114.6795	0.086	2	114.6795	0.086	2	116.4434	2.148	29	117.1882	2.958	58	117.1771	2.492	72
371	371	727	6:SP2_SP2_SP2	N[6a]	N[6a]	C[5a,6a]	3:2:	2:3:	3:2:2:	C[5a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:	C[5a,6a]-3:N[6a]-2:O[5a]-2:	N[6a](C[5a,6a]C[5a,6a]O[5a])(N[6a]C[6a])	N[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]N[6a])(O[5a]C[5a])	N[6a](C[5a,6a]C[5a,6a]O[5a])(N[6a]C[6a]){1|H<1>,3|C<3>}	N[6a](N[6a]C[5a,6a])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]N[6a])(O[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	113.7615	0.347	2	113.7615	0.121	2	113.7615	0.121	2	116.4434	2.148	29	117.1882	2.958	58	117.1771	2.492	72
371	371	727	6:SP2_SP2_SP2	N[6a]	N[6a]	C[5a,6a]	3:2:	2:3:	3:2:2:	C[5a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	N[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a])	N[6a](N[6a]C[5a,6a])(C[6a]C[6a]C)	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]N[6a])	N[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a]){1|C<2>,1|N<2>,2|C<3>}	N[6a](N[6a]C[5a,6a])(C[6a]C[6a]C){1|N<2>,2|N<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]N[6a]){1|C<3>,2|N<3>}	116.7790	0.000	1	116.7790	0.000	1	116.7990	1.507	25	116.4434	2.148	29	117.1882	2.958	58	117.1771	2.492	72
371	371	727	6:SP2_SP2_SP2	N[6a]	N[6a]	C[5a,6a]	3:2:	2:3:	3:2:2:	C[5a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	N[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a])	N[6a](N[6a]C[5a,6a])(C[6a]N[6a]H)	C[5a,6a](N[5a,6a]C[5a]N[6a])(N[5a]N[5a])(N[6a]N[6a])	N[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a]){1|C<3>,1|H<1>,2|N<2>}	N[6a](N[6a]C[5a,6a])(C[6a]N[6a]H){1|N<2>,1|N<3>}	C[5a,6a](N[5a,6a]C[5a]N[6a])(N[5a]N[5a])(N[6a]N[6a]){1|C<3>,1|H<1>}	111.2030	0.000	1	113.9490	15.081	2	116.7990	1.507	25	116.4434	2.148	29	117.1882	2.958	58	117.1771	2.492	72
371	371	727	6:SP2_SP2_SP2	N[6a]	N[6a]	C[5a,6a]	3:2:	2:3:	3:2:2:	C[5a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	N[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a])	N[6a](N[6a]C[5a,6a])(C[6a]N[6a]H)	C[5a,6a](N[5a,6a]C[5a]N[6a])(N[5a]N[5a])(N[6a]N[6a])	N[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a]){1|C<3>,1|H<1>,2|N<2>}	N[6a](N[6a]C[5a,6a])(C[6a]N[6a]H){1|N<2>,1|N<3>}	C[5a,6a](N[5a,6a]C[5a]N[6a])(N[5a]N[5a])(N[6a]N[6a]){1|C<3>,1|N<2>}	116.6950	0.000	1	113.9490	15.081	2	116.7990	1.507	25	116.4434	2.148	29	117.1882	2.958	58	117.1771	2.492	72
371	371	727	6:SP2_SP2_SP2	N[6a]	N[6a]	C[5a,6a]	3:2:	2:3:	3:2:2:	C[5a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	N[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a])	N[6a](N[6a]C[5a,6a])(C[6a]N[6a]N)	C[5a,6a](N[5a,6a]C[5a]N[6a])(N[5a]N[5a])(N[6a]N[6a])	N[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a]){1|C<3>,1|N<3>,2|N<2>}	N[6a](N[6a]C[5a,6a])(C[6a]N[6a]N){1|N<2>,1|N<3>}	C[5a,6a](N[5a,6a]C[5a]N[6a])(N[5a]N[5a])(N[6a]N[6a]){1|C<3>,1|C<4>}	116.8360	0.000	1	117.0801	0.156	18	116.7990	1.507	25	116.4434	2.148	29	117.1882	2.958	58	117.1771	2.492	72
371	371	727	6:SP2_SP2_SP2	N[6a]	N[6a]	C[5a,6a]	3:2:	2:3:	3:2:2:	C[5a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	N[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a])	N[6a](N[6a]C[5a,6a])(C[6a]N[6a]N)	C[5a,6a](N[5a,6a]C[5a]N[6a])(N[5a]N[5a])(N[6a]N[6a])	N[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a]){1|C<3>,1|N<3>,2|N<2>}	N[6a](N[6a]C[5a,6a])(C[6a]N[6a]N){1|N<2>,1|N<3>}	C[5a,6a](N[5a,6a]C[5a]N[6a])(N[5a]N[5a])(N[6a]N[6a]){1|C<3>,1|H<1>}	116.8573	0.281	6	117.0801	0.156	18	116.7990	1.507	25	116.4434	2.148	29	117.1882	2.958	58	117.1771	2.492	72
371	371	727	6:SP2_SP2_SP2	N[6a]	N[6a]	C[5a,6a]	3:2:	2:3:	3:2:2:	C[5a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	N[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a])	N[6a](N[6a]C[5a,6a])(C[6a]N[6a]N)	C[5a,6a](N[5a,6a]C[5a]N[6a])(N[5a]N[5a])(N[6a]N[6a])	N[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a]){1|C<3>,1|N<3>,2|N<2>}	N[6a](N[6a]C[5a,6a])(C[6a]N[6a]N){1|N<2>,1|N<3>}	C[5a,6a](N[5a,6a]C[5a]N[6a])(N[5a]N[5a])(N[6a]N[6a]){1|C<3>,1|N<2>}	117.1470	0.435	3	117.0801	0.156	18	116.7990	1.507	25	116.4434	2.148	29	117.1882	2.958	58	117.1771	2.492	72
371	371	727	6:SP2_SP2_SP2	N[6a]	N[6a]	C[5a,6a]	3:2:	2:3:	3:2:2:	C[5a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	N[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a])	N[6a](N[6a]C[5a,6a])(C[6a]N[6a]N)	C[5a,6a](N[5a,6a]C[5a]N[6a])(N[5a]N[5a])(N[6a]N[6a])	N[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a]){1|C<3>,1|N<3>,2|N<2>}	N[6a](N[6a]C[5a,6a])(C[6a]N[6a]N){1|N<2>,1|N<3>}	C[5a,6a](N[5a,6a]C[5a]N[6a])(N[5a]N[5a])(N[6a]N[6a]){1|C<3>,1|N<3>}	117.2440	0.000	1	117.0801	0.156	18	116.7990	1.507	25	116.4434	2.148	29	117.1882	2.958	58	117.1771	2.492	72
371	371	727	6:SP2_SP2_SP2	N[6a]	N[6a]	C[5a,6a]	3:2:	2:3:	3:2:2:	C[5a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	N[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a])	N[6a](N[6a]C[5a,6a])(C[6a]N[6a]N)	C[5a,6a](N[5a,6a]C[5a]N[6a])(N[5a]N[5a])(N[6a]N[6a])	N[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a]){1|C<3>,1|N<3>,2|N<2>}	N[6a](N[6a]C[5a,6a])(C[6a]N[6a]N){1|N<2>,1|N<3>}	C[5a,6a](N[5a,6a]C[5a]N[6a])(N[5a]N[5a])(N[6a]N[6a]){1|Cl<1>,1|C<3>}	117.2860	0.000	1	117.0801	0.156	18	116.7990	1.507	25	116.4434	2.148	29	117.1882	2.958	58	117.1771	2.492	72
371	371	727	6:SP2_SP2_SP2	N[6a]	N[6a]	C[5a,6a]	3:2:	2:3:	3:2:2:	C[5a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	N[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a])	N[6a](N[6a]C[5a,6a])(C[6a]N[6a]N)	C[5a,6a](N[5a,6a]C[5a]N[6a])(N[5a]N[5a])(N[6a]N[6a])	N[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a]){1|C<3>,3|N<2>}	N[6a](N[6a]C[5a,6a])(C[6a]N[6a]N){1|N<2>,1|N<3>}	C[5a,6a](N[5a,6a]C[5a]N[6a])(N[5a]N[5a])(N[6a]N[6a]){1|C<3>,1|H<1>}	117.3380	0.331	2	117.0801	0.156	18	116.7990	1.507	25	116.4434	2.148	29	117.1882	2.958	58	117.1771	2.492	72
371	371	727	6:SP2_SP2_SP2	N[6a]	N[6a]	C[5a,6a]	3:2:	2:3:	3:2:2:	C[5a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	N[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a])	N[6a](N[6a]C[5a,6a])(C[6a]N[6a]N)	C[5a,6a](N[5a,6a]C[5a]N[6a])(N[5a]N[5a])(N[6a]N[6a])	N[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a]){1|C<3>,3|N<2>}	N[6a](N[6a]C[5a,6a])(C[6a]N[6a]N){1|N<2>,1|N<3>}	C[5a,6a](N[5a,6a]C[5a]N[6a])(N[5a]N[5a])(N[6a]N[6a]){1|C<3>,1|N<2>}	117.1977	0.754	3	117.0801	0.156	18	116.7990	1.507	25	116.4434	2.148	29	117.1882	2.958	58	117.1771	2.492	72
371	371	727	6:SP2_SP2_SP2	N[6a]	N[6a]	C[5a,6a]	3:2:	2:3:	3:2:2:	C[5a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	N[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a])	N[6a](N[6a]C[5a,6a])(C[6a]N[6a]N)	C[5a,6a](N[5a,6a]C[5a]N[6a])(N[5a]N[5a])(N[6a]N[6a])	N[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a]){1|C<3>,3|N<2>}	N[6a](N[6a]C[5a,6a])(C[6a]N[6a]N){1|N<2>,1|N<3>}	C[5a,6a](N[5a,6a]C[5a]N[6a])(N[5a]N[5a])(N[6a]N[6a]){1|C<3>,1|N<3>}	117.2220	0.000	1	117.0801	0.156	18	116.7990	1.507	25	116.4434	2.148	29	117.1882	2.958	58	117.1771	2.492	72
371	371	727	6:SP2_SP2_SP2	N[6a]	N[6a]	C[5a,6a]	3:2:	2:3:	3:2:2:	C[5a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	N[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a])	N[6a](N[6a]C[5a,6a])(C[6a]N[6a]O)	C[5a,6a](N[5a,6a]C[5a]N[6a])(N[5a]N[5a])(N[6a]N[6a])	N[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a]){1|C<3>,1|N<2>,1|N<3>,1|O<1>}	N[6a](N[6a]C[5a,6a])(C[6a]N[6a]O){1|N<2>,1|N<3>}	C[5a,6a](N[5a,6a]C[5a]N[6a])(N[5a]N[5a])(N[6a]N[6a]){1|C<3>,1|H<1>,1|N<3>}	116.3040	0.000	1	116.9642	0.217	4	116.7990	1.507	25	116.4434	2.148	29	117.1882	2.958	58	117.1771	2.492	72
371	371	727	6:SP2_SP2_SP2	N[6a]	N[6a]	C[5a,6a]	3:2:	2:3:	3:2:2:	C[5a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	N[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a])	N[6a](N[6a]C[5a,6a])(C[6a]N[6a]O)	C[5a,6a](N[5a,6a]C[5a]N[6a])(N[5a]N[5a])(N[6a]N[6a])	N[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a]){1|C<3>,1|O<1>,2|N<2>}	N[6a](N[6a]C[5a,6a])(C[6a]N[6a]O){1|N<2>,1|N<3>}	C[5a,6a](N[5a,6a]C[5a]N[6a])(N[5a]N[5a])(N[6a]N[6a]){1|C<3>,1|H<1>}	117.0210	0.000	1	116.9642	0.217	4	116.7990	1.507	25	116.4434	2.148	29	117.1882	2.958	58	117.1771	2.492	72
371	371	727	6:SP2_SP2_SP2	N[6a]	N[6a]	C[5a,6a]	3:2:	2:3:	3:2:2:	C[5a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	N[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a])	N[6a](N[6a]C[5a,6a])(C[6a]N[6a]O)	C[5a,6a](N[5a,6a]C[5a]N[6a])(N[5a]N[5a])(N[6a]N[6a])	N[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a]){1|C<3>,1|O<1>,2|N<2>}	N[6a](N[6a]C[5a,6a])(C[6a]N[6a]O){1|N<2>,1|N<3>}	C[5a,6a](N[5a,6a]C[5a]N[6a])(N[5a]N[5a])(N[6a]N[6a]){1|C<3>,1|N<3>}	117.3890	0.000	1	116.9642	0.217	4	116.7990	1.507	25	116.4434	2.148	29	117.1882	2.958	58	117.1771	2.492	72
371	371	727	6:SP2_SP2_SP2	N[6a]	N[6a]	C[5a,6a]	3:2:	2:3:	3:2:2:	C[5a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	N[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a])	N[6a](N[6a]C[5a,6a])(C[6a]N[6a]O)	C[5a,6a](N[5a,6a]C[5a]N[6a])(N[5a]N[5a])(N[6a]N[6a])	N[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a]){1|C<3>,1|O<2>,2|N<2>}	N[6a](N[6a]C[5a,6a])(C[6a]N[6a]O){1|N<2>,1|N<3>}	C[5a,6a](N[5a,6a]C[5a]N[6a])(N[5a]N[5a])(N[6a]N[6a]){1|C<3>,1|H<1>}	117.1430	0.000	1	116.9642	0.217	4	116.7990	1.507	25	116.4434	2.148	29	117.1882	2.958	58	117.1771	2.492	72
371	371	727	6:SP2_SP2_SP2	N[6a]	N[6a]	C[5a,6a]	3:2:	2:3:	3:3:2:	C[5a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:	C[5a,6a]-3:N[5,5a]-3:N[6a]-2:	N[6a](C[5a,6a]C[5a,6a]N[5,5a])(N[6a]C[6a])	N[6a](N[6a]C[5a,6a])(C[6a]C[6a]N)	C[5a,6a](C[5a,6a]B[5a]C[6a])(N[5,5a]N[5,5a]C[5])(N[6a]N[6a])	N[6a](C[5a,6a]C[5a,6a]N[5,5a])(N[6a]C[6a]){1|B<4>,2|C<3>,2|N<3>}	N[6a](N[6a]C[5a,6a])(C[6a]C[6a]N){1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]B[5a]C[6a])(N[5,5a]N[5,5a]C[5])(N[6a]N[6a]){1|C<4>,2|F<1>,4|C<3>}	116.2030	0.000	1	116.2030	0.000	1	116.2030	0.000	1	118.2219	1.628	16	117.1882	2.958	58	117.1771	2.492	72
371	371	727	6:SP2_SP2_SP2	N[6a]	N[6a]	C[5a,6a]	3:2:	2:3:	3:3:2:	C[5a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	N[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a])	N[6a](N[6a]C[5a,6a])(C[6a]C[6a]N)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(N[6a]N[6a])	N[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a]){1|N<2>,2|C<3>,2|N<3>}	N[6a](N[6a]C[5a,6a])(C[6a]C[6a]N){1|C<3>,1|N<2>,1|N<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(N[6a]N[6a]){1|C<3>,1|N<2>,1|N<3>}	115.6980	0.000	1	116.1273	0.139	3	116.1273	0.139	3	118.2219	1.628	16	117.1882	2.958	58	117.1771	2.492	72
371	371	727	6:SP2_SP2_SP2	N[6a]	N[6a]	C[5a,6a]	3:2:	2:3:	3:3:2:	C[5a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	N[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a])	N[6a](N[6a]C[5a,6a])(C[6a]C[6a]N)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(N[6a]N[6a])	N[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a]){1|N<2>,2|C<3>,2|N<3>}	N[6a](N[6a]C[5a,6a])(C[6a]C[6a]N){1|C<3>,2|N<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(N[6a]N[6a]){1|N<3>,2|C<3>}	116.3420	0.024	2	116.1273	0.139	3	116.1273	0.139	3	118.2219	1.628	16	117.1882	2.958	58	117.1771	2.492	72
371	371	727	6:SP2_SP2_SP2	N[6a]	N[6a]	C[5a,6a]	3:2:	2:3:	3:3:2:	C[5a,6a]-3:N[6a]-2:	N[6a]-2:N[6a]-3:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	N[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]N[6a])	N[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(N[6a]N[6a])	N[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]N[6a]){1|C<4>,1|N<2>,3|C<3>}	N[6a](N[6a]C[5a,6a])(N[6a]C[6a]C){1|C<3>,1|N<3>,1|O<1>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(N[6a]N[6a]){1|H<1>,1|N<3>,1|O<1>}	118.9137	0.324	12	118.9137	0.105	12	118.9137	0.105	12	118.2219	1.628	16	117.1882	2.958	58	117.1771	2.492	72
371	371	727	6:SP2_SP2_SP2	N[6a]	N[6a]	C[5a,6a]	3:2:	3:2:	3:2:2:	C[5a,6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:	C[5a,6a]-3:N[6a]-2:S[5a]-2:	N[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a,6a])	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[6a]N[6a])(S[5a]C[5a])	N[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a,6a]){4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a,6a]){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[6a]N[6a])(S[5a]C[5a]){2|C<3>,2|H<1>}	118.2960	0.000	1	118.2960	0.000	1	118.2960	0.000	1	118.0476	0.252	5	117.1882	2.958	58	117.1771	2.492	72
371	371	727	6:SP2_SP2_SP2	N[6a]	N[6a]	C[5a,6a]	3:2:	3:2:	3:2:2:	C[5a,6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	N[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]2)(N[6a]C[5a,6a])	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(N[5a]C[5a])(N[6a]N[6a])	N[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a,6a]){1|N<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(N[6a]C[5a,6a]){1|N<2>,1|N<3>,3|C<3>}	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(N[5a]C[5a])(N[6a]N[6a]){1|H<1>,2|C<3>}	118.5730	0.000	1	118.5730	0.000	1	117.9855	0.311	4	118.0476	0.252	5	117.1882	2.958	58	117.1771	2.492	72
371	371	727	6:SP2_SP2_SP2	N[6a]	N[6a]	C[5a,6a]	3:2:	3:2:	3:2:2:	C[5a,6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	N[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a,6a])	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(N[5a]C[5a])(N[6a]N[6a])	N[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a,6a]){1|N<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a,6a]){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(N[5a]C[5a])(N[6a]N[6a]){1|C<4>,2|C<3>}	117.5145	0.132	2	117.7897	0.236	3	117.9855	0.311	4	118.0476	0.252	5	117.1882	2.958	58	117.1771	2.492	72
371	371	727	6:SP2_SP2_SP2	N[6a]	N[6a]	C[5a,6a]	3:2:	3:2:	3:2:2:	C[5a,6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	N[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a,6a])	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(N[5a]C[5a])(N[6a]N[6a])	N[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a,6a]){1|N<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a,6a]){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(N[5a]C[5a])(N[6a]N[6a]){1|H<1>,2|C<3>}	118.3400	0.000	1	117.7897	0.236	3	117.9855	0.311	4	118.0476	0.252	5	117.1882	2.958	58	117.1771	2.492	72
371	371	727	6:SP2_SP2_SP2	N[6a]	N[6a]	C[5a,6a]	3:2:	3:2:	3:3:2:	C[5a,6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	N[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a,6a])	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H)(N[6a]N[6a])	N[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a,6a]){1|H<1>,1|S<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a,6a]){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H)(N[6a]N[6a]){1|H<1>,2|C<3>}	118.8970	0.000	1	118.8970	0.000	1	118.8970	0.000	1	118.3858	3.389	6	117.1882	2.958	58	117.1771	2.492	72
371	371	727	6:SP2_SP2_SP2	N[6a]	N[6a]	C[5a,6a]	3:2:	3:2:	3:3:2:	C[5a,6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a,6a])	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a]C[5a]H)(N[6a]N[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a]){1|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a,6a]){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a]C[5a]H)(N[6a]N[6a]){4|C<3>}	117.9680	0.000	1	117.9680	0.000	1	117.9680	0.000	1	118.3858	3.389	6	117.1882	2.958	58	117.1771	2.492	72
371	371	727	6:SP2_SP2_SP2	N[6a]	N[6a]	C[5a,6a]	3:2:	3:2:	3:3:2:	C[5a,6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	N[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a,6a])	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]H)(N[6a]N[6a])	N[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a]){1|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a,6a]){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]H)(N[6a]N[6a]){1|H<1>,3|C<3>}	120.0935	0.023	2	120.0935	0.001	2	120.0935	0.001	2	118.3858	3.389	6	117.1882	2.958	58	117.1771	2.492	72
371	371	727	6:SP2_SP2_SP2	N[6a]	N[6a]	C[5a,6a]	3:2:	3:2:	3:3:2:	C[5a,6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[5a,6a]-3:N[5,5a]-3:N[6a]-2:	N[6a](C[5a,6a]C[5a,6a]N[5,5a])(N[6a]C[6a])	N[6a](C[6a]C[6a]N[5a])(N[6a]C[5a,6a])	C[5a,6a](C[5a,6a]B[5a]C[6a])(N[5,5a]N[5,5a]C[5])(N[6a]N[6a])	N[6a](C[5a,6a]C[5a,6a]N[5,5a])(N[6a]C[6a]){1|B<4>,2|C<3>,2|N<3>}	N[6a](C[6a]C[6a]N[5a])(N[6a]C[5a,6a]){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]B[5a]C[6a])(N[5,5a]N[5,5a]C[5])(N[6a]N[6a]){2|C<4>,2|F<1>,3|C<3>}	115.1280	0.000	1	115.1280	0.000	1	115.1280	0.000	1	118.3858	3.389	6	117.1882	2.958	58	117.1771	2.492	72
371	371	727	6:SP2_SP2_SP2	N[6a]	N[6a]	C[5a,6a]	3:2:	3:2:	3:3:2:	C[5a,6a]-3:N[6a]-2:	N[5a,6a]-3:N[6a]-2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]N[5a,6a])	N[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[5a,6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(N[5a]N[5a]C[5])(N[6a]N[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]N[5a,6a]){1|C<4>,1|N<2>,3|C<3>}	N[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[5a,6a]){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(N[5a]N[5a]C[5])(N[6a]N[6a]){1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|H<1>}	118.1350	0.000	1	118.1350	0.000	1	118.1350	0.000	1	118.3858	3.389	6	117.1882	2.958	58	117.1771	2.492	72
371	371	813	6:SP2_SP2_SP2	N[6a]	N[6a]	N[5a,6a]	3:2:	3:2:	3:2:2:	N[5a,6a]-3:N[6a]-2:	N[5a,6a]-3:N[6a]-2:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	N[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]N[5a,6a])	N[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]N[5a,6a])	N[5a,6a](C[5a,6a]C[5a,6a]C[5a])(N[5a]C[5a])(N[6a]N[6a])	N[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]N[5a,6a]){1|N<2>,3|C<3>}	N[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]N[5a,6a]){1|N<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[5a])(N[5a]C[5a])(N[6a]N[6a]){1|C<3>,3|N<3>}	118.0630	1.546	2	118.0630	2.389	2	118.0630	2.389	2	118.0630	2.389	2	117.7507	1.487	3	117.7507	1.487	3
371	371	813	6:SP2_SP2_SP2	N[6a]	N[6a]	N[5a,6a]	3:2:	3:2:	3:3:2:	N[5a,6a]-3:N[6a]-2:	C[5a,6a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	N[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[5a,6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]N[5a,6a])	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]H)(N[6a]N[6a])	N[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[5a,6a]){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]N[5a,6a]){1|C<4>,1|N<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]H)(N[6a]N[6a]){1|H<1>,2|C<3>}	117.1260	0.000	1	117.1260	0.000	1	117.1260	0.000	1	117.1260	0.000	1	117.7507	1.487	3	117.7507	1.487	3
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6,6a]	C[6a,6a]	3:3:	3:4:2:	3:2:3:	C[6,6,6a]-3:C[6a,6a]-3:	C[6,6,6a]-3:C[3x6]-4:N[6a]-2:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a,6a]C[6a,6a]C[6a])	C[6,6,6a](C[6,6,6a]C[3x6]N[6a])(C[3x6]C[6,6,6a]2H)(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6,6,6a])(C[6a]C[6a]H)	N[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a,6a]C[6a,6a]C[6a]){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]N[6a])(C[3x6]C[6,6,6a]2H)(N[6a]C[6a,6a]){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6,6,6a])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	114.5665	0.218	4	114.5665	0.048	4	114.5665	0.048	4	114.5665	0.048	4	114.5440	0.038	5	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6,6a]	C[6a,6a]	3:3:	4:3:2:	3:2:3:	C[6,6,6a]-3:C[6a,6a]-3:	C[3x6]-4:N[6,6,6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6,6,6a]N[6,6,6a]C[3x6])(C[6a,6a]C[6a,6a]C[6a])	C[6,6,6a](C[3x6]C[5,6,6]N[6,6]H)(N[6,6,6a]C[3x6]C[6a])(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6,6a])(C[6a]C[6a]H)	N[6a](C[6,6,6a]N[6,6,6a]C[3x6])(C[6a,6a]C[6a,6a]C[6a]){1|N<2>,2|C<4>,2|H<1>,3|C<3>}	C[6,6,6a](C[3x6]C[5,6,6]N[6,6]H)(N[6,6,6a]C[3x6]C[6a])(N[6a]C[6a,6a]){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6,6a])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	114.4540	0.000	1	114.4540	0.000	1	114.4540	0.000	1	114.4540	0.000	1	114.5440	0.038	5	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6,6a]	C[6a]	3:3:	3:4:2:	2:3:2:	C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:N[6a]-2:	N[6a]-2:C[6a]-3:C-2:	N[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]C)	C[6,6,6a](C[6,6,6a]C[3x6]N[6a])(C[3x6]C[6,6,6a]2H)(N[6a]C[6a])	C[6a](N[6a]C[6,6,6a])(C[6a]N[6a]C)(CN)	N[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]C){1|C<2>,1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]N[6a])(C[3x6]C[6,6,6a]2H)(N[6a]C[6a]){1|C<2>,1|H<1>,5|C<3>}	C[6a](N[6a]C[6,6,6a])(C[6a]N[6a]C)(CN){1|C<3>,1|C<4>}	114.7205	0.040	2	114.7205	0.002	2	114.7205	0.002	2	114.7205	0.002	2	117.7076	1.822	14	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6,6a]	C[6a]	3:3:	3:4:2:	2:3:3:	C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6]-4:N[6a]-2:	N[6a]-2:C[6]-3:C[6a]-3:	N[6a](C[6,6,6a]C[6,6,6a]C[6,6])(C[6a]C[6a]C[6])	C[6,6,6a](C[6,6,6a]C[4,6,6]C[6a])(C[6,6]C[4,6,6]CH)(N[6a]C[6a])	C[6a](N[6a]C[6,6,6a])(C[6]C[6]N[6])(C[6a]C[6a]H)	N[6a](C[6,6,6a]C[6,6,6a]C[6,6])(C[6a]C[6a]C[6]){1|N<3>,2|C<3>,2|H<1>,3|C<4>}	C[6,6,6a](C[6,6,6a]C[4,6,6]C[6a])(C[6,6]C[4,6,6]CH)(N[6a]C[6a]){2|C<3>,2|C<4>,3|H<1>}	C[6a](N[6a]C[6,6,6a])(C[6]C[6]N[6])(C[6a]C[6a]H){1|Re<6>,1|C<4>,2|H<1>,3|C<3>}	119.5990	0.000	1	119.5990	0.000	1	119.5990	0.000	1	118.5705	2.116	2	117.7076	1.822	14	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6,6a]	C[6a]	3:3:	3:4:2:	2:3:3:	C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6]-4:N[6a]-2:	N[6a]-2:C[6a]-3:C-3:	N[6a](C[6,6,6a]C[6,6,6a]C[6,6])(C[6a]C[6a]C)	C[6,6,6a](C[6,6,6a]C[4,6,6]C[6a])(C[6,6]C[4,6,6]HH)(N[6a]C[6a])	C[6a](N[6a]C[6,6,6a])(C[6a]C[6a]H)(CHO)	N[6a](C[6,6,6a]C[6,6,6a]C[6,6])(C[6a]C[6a]C){1|C<3>,2|C<4>,3|H<1>}	C[6,6,6a](C[6,6,6a]C[4,6,6]C[6a])(C[6,6]C[4,6,6]HH)(N[6a]C[6a]){2|C<3>,2|C<4>,3|H<1>}	C[6a](N[6a]C[6,6,6a])(C[6a]C[6a]H)(CHO){1|C<3>,1|C<4>,1|H<1>}	117.5420	0.000	1	117.5420	0.000	1	117.5420	0.000	1	118.5705	2.116	2	117.7076	1.822	14	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6,6a]	C[6a]	3:3:	3:4:2:	2:3:4:	C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6]-4:N[6a]-2:	N[6a]-2:C[6a]-3:C-4:	N[6a](C[6,6,6a]C[6,6,6a]C[6,6])(C[6a]C[6a]C)	C[6,6,6a](C[6,6,6a]C[4,6,6]C[6a])(C[6,6]C[4,6,6]C[6,6]H)(N[6a]C[6a])	C[6a](N[6a]C[6,6,6a])(C[6a]C[6a]H)(CCCN)	N[6a](C[6,6,6a]C[6,6,6a]C[6,6])(C[6a]C[6a]C){1|C<3>,2|H<1>,3|C<4>}	C[6,6,6a](C[6,6,6a]C[4,6,6]C[6a])(C[6,6]C[4,6,6]C[6,6]H)(N[6a]C[6a]){2|C<3>,4|C<4>,4|H<1>}	C[6a](N[6a]C[6,6,6a])(C[6a]C[6a]H)(CCCN){1|C<3>,1|C<4>,1|H<1>}	118.0620	0.000	1	118.0620	0.000	1	118.0620	0.000	1	118.0620	0.000	1	117.7076	1.822	14	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6,6a]	C[6a]	3:3:	3:4:2:	3:2:3:	C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6]-4:N[6a]-2:	C[6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6,6,6a]C[6,6,6a]C[6,6])(C[6a]C[6a]2)	C[6,6,6a](C[6,6,6a]C[4,6,6]C[6a])(C[6,6]C[4,6,6]CH)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6,6,6a])(C[6a]C[6a]H)	N[6a](C[6,6,6a]C[6,6,6a]C[6,6])(C[6a]C[6a]2){1|N<2>,2|C<3>,2|H<1>,3|C<4>}	C[6,6,6a](C[6,6,6a]C[4,6,6]C[6a])(C[6,6]C[4,6,6]CH)(N[6a]C[6a]){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6,6,6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	118.0750	0.339	3	118.0750	0.115	3	118.1403	0.053	9	118.1403	0.053	9	117.7076	1.822	14	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6,6a]	C[6a]	3:3:	3:4:2:	3:2:3:	C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6]-4:N[6a]-2:	C[6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6,6,6a]C[6,6,6a]C[6,6])(C[6a]C[6a]2)	C[6,6,6a](C[6,6,6a]C[4,6,6]C[6a])(C[6,6]C[4,6,6]C[6,6]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6,6,6a])(C[6a]C[6a]H)	N[6a](C[6,6,6a]C[6,6,6a]C[6,6])(C[6a]C[6a]2){1|N<2>,2|C<3>,2|H<1>,3|C<4>}	C[6,6,6a](C[6,6,6a]C[4,6,6]C[6a])(C[6,6]C[4,6,6]C[6,6]H)(N[6a]C[6a]){3|C<3>,3|C<4>,4|H<1>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6,6,6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	118.3150	0.000	1	118.3150	0.000	1	118.1403	0.053	9	118.1403	0.053	9	117.7076	1.822	14	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6,6a]	C[6a]	3:3:	3:4:2:	3:2:3:	C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6]-4:N[6a]-2:	C[6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6,6,6a]C[6,6,6a]C[6,6])(C[6a]C[6a]2)	C[6,6,6a](C[6,6,6a]C[4,6,6]C[6a])(C[6,6]C[4,6,6]HH)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6,6,6a])(C[6a]C[6a]H)	N[6a](C[6,6,6a]C[6,6,6a]C[6,6])(C[6a]C[6a]2){1|N<2>,2|C<3>,2|C<4>,3|H<1>}	C[6,6,6a](C[6,6,6a]C[4,6,6]C[6a])(C[6,6]C[4,6,6]HH)(N[6a]C[6a]){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6,6,6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	118.1446	0.193	5	118.1446	0.037	5	118.1403	0.053	9	118.1403	0.053	9	117.7076	1.822	14	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6,6a]	3:3:	3:2:3:	3:2:4:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6a]-2:N[6]-3:	C[6,6a]-3:N[6a]-2:C[6]-4:	N[6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6,6a]N[6])	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6,6a])(N[6]C[6,6]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6,6a])(C[6]C[6]HH)	N[6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6,6a]N[6]){2|C<3>,3|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6,6a])(N[6]C[6,6]H){1|N<3>,1|O<1>,2|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6,6a])(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	118.3150	0.000	1	118.3150	0.000	1	118.3150	0.000	1	118.3150	0.000	1	117.7212	0.788	13	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6,6a]	3:3:	3:2:4:	3:2:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6,6a]-3:N[6a]-2:O[6]-2:	N[6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6,6a]O[6])	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6,6a])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6,6a])(O[6]C[5a,6])	N[6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6,6a]O[6]){2|C<3>,2|H<1>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6,6a])(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6,6a])(O[6]C[5a,6]){1|C<4>,1|H<1>,2|N<3>,3|C<3>}	116.6330	0.000	1	116.6330	0.000	1	116.6330	0.000	1	116.6330	0.000	1	117.7212	0.788	13	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6,6a]	3:3:	3:2:4:	3:2:4:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6,6a]-3:N[6a]-2:C[6]-4:	N[6a](C[6,6a]C[6,6a]C[6])2	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6,6a])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6,6a])(C[6]C[6]HH)	N[6a](C[6,6a]C[6,6a]C[6])2{2|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6,6a])(C[6]C[6]HH){1|C<3>,1|H<1>,1|O<1>,4|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6,6a])(C[6]C[6]HH){1|C<3>,1|H<1>,1|O<1>,4|C<4>}	118.0230	0.000	1	118.4395	0.347	2	118.4395	0.347	2	118.4395	0.347	2	117.7212	0.788	13	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6,6a]	3:3:	3:2:4:	3:2:4:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6,6a]-3:N[6a]-2:C[6]-4:	N[6a](C[6,6a]C[6,6a]C[6])2	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6,6a])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6,6a])(C[6]C[6]HH)	N[6a](C[6,6a]C[6,6a]C[6])2{2|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6,6a])(C[6]C[6]HH){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6,6a])(C[6]C[6]HH){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	118.8560	0.000	1	118.4395	0.347	2	118.4395	0.347	2	118.4395	0.347	2	117.7212	0.788	13	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:2:3:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-3:N[6a]-2:	C[6,6a]-3:N[6a]-2:C[6]-3:	N[6a](C[6,6a]C[6,6a]C[6])2	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[5a,6]O)(N[6a]C[6,6a])	C[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6,6a])(C[6]C[5,6]O)	N[6a](C[6,6a]C[6,6a]C[6])2{1|N<2>,2|O<1>,4|C<3>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[5a,6]O)(N[6a]C[6,6a]){1|N<2>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6,6a])(C[6]C[5,6]O){1|N<2>,1|O<1>,3|C<3>}	117.3430	0.000	1	117.3430	0.000	1	117.3430	0.000	1	117.3430	0.000	1	117.7212	0.788	13	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:2:4:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:N[6a]-2:C[6]-4:	N[6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6,6a]2)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6,6a])	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6,6a])(C[6]C[6]HH)	N[6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6,6a]2){2|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6,6a]){2|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6,6a])(C[6]C[6]HH){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	118.2330	0.205	2	118.2330	0.042	2	118.2330	0.042	2	118.2330	0.042	2	117.7212	0.788	13	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[5a,6]-3:C[6,6a]-3:N[6a]-2:	C[5a,6]-3:C[6,6a]-3:N[6a]-2:	N[6a](C[6,6a]C[5a,6]C[6,6a])2	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]C[6])(N[6a]C[6,6a])	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]C[6])(N[6a]C[6,6a])	N[6a](C[6,6a]C[5a,6]C[6,6a])2{2|C<4>,2|N<3>,3|C<3>}	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]C[6])(N[6a]C[6,6a]){1|C<4>,4|C<3>,4|H<1>}	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]C[6])(N[6a]C[6,6a]){1|C<4>,4|C<3>,4|H<1>}	117.2820	0.000	1	117.2820	0.000	1	117.2820	0.000	1	117.0125	0.145	2	117.7212	0.788	13	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-3:N[6a]-2:	C[6,6a]-3:C[6]-3:N[6a]-2:	N[6a](C[6,6a]C[6,6a]C[6])2	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[5a,6]O)(N[6a]C[6,6a])	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[5a,6]O)(N[6a]C[6,6a])	N[6a](C[6,6a]C[6,6a]C[6])2{1|N<2>,2|O<1>,4|C<3>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[5a,6]O)(N[6a]C[6,6a]){1|N<2>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[5a,6]O)(N[6a]C[6,6a]){1|N<2>,1|O<1>,3|C<3>}	116.7430	0.000	1	116.7430	0.000	1	116.7430	0.000	1	117.0125	0.145	2	117.7212	0.788	13	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6,6a]	3:3:	4:3:2:	3:2:4:	C[6,6a]-3:C[6,6a]-3:	C[5,6]-4:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:N[6a]-2:C[6]-4:	N[6a](C[6,6a]C[6,6a]C[5,6])(C[6,6a]C[6,6a]C[6])	C[6,6a](C[5,6]C[5,6]O[5]C)(C[6,6a]C[6a]C[6])(N[6a]C[6,6a])	C[6,6a](C[6,6a]C[6,6]C[6a])(N[6a]C[6,6a])(C[6]C[6]HH)	N[6a](C[6,6a]C[6,6a]C[5,6])(C[6,6a]C[6,6a]C[6]){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[6,6a](C[5,6]C[5,6]O[5]C)(C[6,6a]C[6a]C[6])(N[6a]C[6,6a]){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(N[6a]C[6,6a])(C[6]C[6]HH){2|C<3>,2|C<4>,3|H<1>}	118.7515	0.260	2	118.7515	0.067	2	118.7515	0.067	2	118.7515	0.067	2	117.7212	0.788	13	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6,6a]	3:3:	4:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6]-4:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	N[6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6,6a]2)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(N[6a]C[6,6a])	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6,6a])	N[6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6,6a]2){1|H<1>,3|C<4>,4|C<3>}	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(N[6a]C[6,6a]){1|N<2>,2|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6,6a]){3|C<3>,3|C<4>,3|H<1>}	116.6060	0.075	2	116.6060	0.006	2	116.6060	0.006	2	116.6060	0.006	2	117.7212	0.788	13	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a,6a]	3:3:	3:2:2:	3:2:3:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6a]-2:O[6]-2:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]O[6])	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(O[6]C[5a,6])	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]O[6]){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(O[6]C[5a,6]){1|N<3>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){1|O<2>,2|C<3>,3|H<1>}	117.4990	0.000	1	117.4990	0.000	1	116.8605	0.815	2	117.5498	0.613	5	118.0198	0.628	161	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a,6a]	3:3:	3:2:2:	3:2:3:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6a]-2:O[6]-2:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]O[6])	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(O[6]C[6])	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]O[6]){1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(O[6]C[6]){1|H<1>,2|C<3>,2|O<2>,3|C<4>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){2|C<3>,2|H<1>,2|O<2>}	116.2220	0.000	1	116.2220	0.000	1	116.8605	0.815	2	117.5498	0.613	5	118.0198	0.628	161	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a,6a]	3:3:	3:2:2:	3:2:3:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6a]-2:S[6]-2:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]S[6])	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(S[6]C[6,6])	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]S[6]){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(S[6]C[6,6]){2|C<4>,2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){1|S<2>,2|C<3>,3|H<1>}	118.1640	0.000	1	118.1640	0.000	1	118.0093	0.027	3	117.5498	0.613	5	118.0198	0.628	161	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a,6a]	3:3:	3:2:2:	3:2:3:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6a]-2:S[6]-2:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]S[6])	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(S[6]C[6])	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]S[6]){1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(S[6]C[6]){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){1|S<2>,2|C<3>,3|H<1>}	117.9320	0.137	2	117.9320	0.019	2	118.0093	0.027	3	117.5498	0.613	5	118.0198	0.628	161	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a,6a]	3:3:	3:2:3:	3:2:2:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]C[6])	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]C)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]C[6]){2|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]C){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(N[6a]C[6a]){1|N<3>,1|O<1>,1|S<2>,3|C<3>}	118.6650	0.000	1	118.6650	0.000	1	118.6650	0.000	1	117.7398	0.900	4	118.0198	0.628	161	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a,6a]	3:3:	3:2:3:	3:2:2:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6a]-2:N[6]-3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])	C[6,6a](C[6,6a]N[6a]N[6])(N[6a]C[6a,6a])(N[6]C[6,6a]C)	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a,6a])(N[6a]C[6,6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6]){1|C<4>,1|N<3>,2|C<3>,2|N<2>}	C[6,6a](C[6,6a]N[6a]N[6])(N[6a]C[6a,6a])(N[6]C[6,6a]C){1|C<4>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a,6a])(N[6a]C[6,6a]){1|N<3>,3|C<3>}	117.8700	0.635	2	117.8700	0.403	2	117.4313	0.779	3	117.7398	0.900	4	118.0198	0.628	161	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a,6a]	3:3:	3:2:3:	3:2:2:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6a]-2:N[6]-3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])	C[6,6a](C[6,6a]N[6a]N[6])(N[6a]C[6a,6a])(N[6]C[6,6a]H)	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6,6a])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6]){1|H<1>,1|N<3>,2|C<3>,2|N<2>}	C[6,6a](C[6,6a]N[6a]N[6])(N[6a]C[6a,6a])(N[6]C[6,6a]H){1|H<1>,2|C<3>,2|N<2>}	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6,6a])(N[6a]C[6a]){1|C<2>,1|N<3>,2|C<3>}	116.5540	0.000	1	116.5540	0.000	1	117.4313	0.779	3	117.7398	0.900	4	118.0198	0.628	161	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a,6a]	3:3:	3:2:3:	3:2:3:	C[6,6a]-3:C[6a,6a]-3:	C[6,6a,6a]-3:N[6a]-2:C[6]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a,6a]C[6a,6a]C[6a])	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[6a]C[6a,6a])(C[6]C[6]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a,6a]C[6a,6a]C[6a]){2|H<1>,5|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[6a]C[6a,6a])(C[6]C[6]H){1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6,6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	118.3070	0.000	1	118.3070	0.000	1	118.3070	0.000	1	117.7027	0.717	28	118.0198	0.628	161	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a,6a]	3:3:	3:2:3:	3:2:3:	C[6a,6a]-3:C[6,6a]-3:	C[5,6,6a]-3:N[6a]-2:C[6]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6,6a]C[6])	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(N[6a]C[6a,6a])(C[6]C[6]O)	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6,6a]C[6]){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(N[6a]C[6a,6a])(C[6]C[6]O){1|N<3>,2|C<4>,4|C<3>}	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(N[6a]C[6,6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	117.5943	0.167	3	117.5943	0.028	3	117.5943	0.028	3	117.7027	0.717	28	118.0198	0.628	161	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a,6a]	3:3:	3:2:3:	3:2:3:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])	C[6,6a](C[6,6a]C[3,5,6]C[6a])(N[6a]C[6a,6a])(C[6]N[6]O)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6]){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[3,5,6]C[6a])(N[6a]C[6a,6a])(C[6]N[6]O){2|C<3>,2|H<1>,3|C<4>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	118.2590	0.000	1	118.2590	0.000	1	117.5127	0.427	18	117.7027	0.717	28	118.0198	0.628	161	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a,6a]	3:3:	3:2:3:	3:2:3:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6,6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6]){1|H<1>,1|O<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6,6a]O){1|C<4>,1|O<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	117.6880	0.000	1	117.6880	0.000	1	117.5127	0.427	18	117.7027	0.717	28	118.0198	0.628	161	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a,6a]	3:3:	3:2:3:	3:2:3:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6]){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	116.7165	0.457	2	116.7165	0.209	2	117.5127	0.427	18	117.7027	0.717	28	118.0198	0.628	161	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a,6a]	3:3:	3:2:3:	3:2:3:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]I)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6]){1|H<1>,1|I<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]I){1|H<1>,2|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	117.3350	0.000	1	117.3350	0.000	1	117.5127	0.427	18	117.7027	0.717	28	118.0198	0.628	161	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a,6a]	3:3:	3:2:3:	3:2:3:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]O)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6]){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]O){1|C<4>,3|C<3>,4|H<1>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	117.9610	0.000	1	117.4133	0.146	4	117.5127	0.427	18	117.7027	0.717	28	118.0198	0.628	161	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a,6a]	3:3:	3:2:3:	3:2:3:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]O)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6]){1|H<1>,1|O<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]O){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	117.2307	0.137	3	117.4133	0.146	4	117.5127	0.427	18	117.7027	0.717	28	118.0198	0.628	161	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a,6a]	3:3:	3:2:3:	3:2:3:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(N[6a]C[6a,6a])(C[6]C[6]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6]){1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6a]C[6a,6a])(C[6]C[6]H){1|Cu<5>,2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	117.7720	0.000	1	118.2196	0.215	5	117.5127	0.427	18	117.7027	0.717	28	118.0198	0.628	161	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a,6a]	3:3:	3:2:3:	3:2:3:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(N[6a]C[6a,6a])(C[6]C[6]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6]){1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6a]C[6a,6a])(C[6]C[6]H){1|Ru<6>,2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	118.5410	0.315	2	118.2196	0.215	5	117.5127	0.427	18	117.7027	0.717	28	118.0198	0.628	161	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a,6a]	3:3:	3:2:3:	3:2:3:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(N[6a]C[6a,6a])(C[6]C[6]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6]){1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6a]C[6a,6a])(C[6]C[6]H){1|Zn<4>,2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	117.7130	0.000	1	118.2196	0.215	5	117.5127	0.427	18	117.7027	0.717	28	118.0198	0.628	161	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a,6a]	3:3:	3:2:3:	3:2:3:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(N[6a]C[6a,6a])(C[6]C[6]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6]){1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6a]C[6a,6a])(C[6]C[6]H){1|Zn<5>,2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	118.5310	0.000	1	118.2196	0.215	5	117.5127	0.427	18	117.7027	0.717	28	118.0198	0.628	161	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a,6a]	3:3:	3:2:3:	3:2:3:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])	C[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6,6a]O)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6]){1|H<1>,1|N<2>,1|O<1>,4|C<3>}	C[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6,6a]O){1|N<2>,1|O<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	116.8985	0.094	2	116.8985	0.009	2	117.5127	0.427	18	117.7027	0.717	28	118.0198	0.628	161	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a,6a]	3:3:	3:2:3:	3:2:3:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])	C[6,6a](C[6,6a]N[6a]O[6])(N[6a]C[6a,6a])(C[6]C[6]S)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6]){1|H<1>,1|N<2>,1|O<2>,1|S<2>,3|C<3>}	C[6,6a](C[6,6a]N[6a]O[6])(N[6a]C[6a,6a])(C[6]C[6]S){1|C<4>,1|S<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	116.9830	0.045	2	116.9830	0.002	2	117.5127	0.427	18	117.7027	0.717	28	118.0198	0.628	161	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a,6a]	3:3:	3:2:3:	3:2:3:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6a]-2:N[6]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6])	C[6,6a](C[6,6a]C[6a]S[6])(N[6a]C[6a,6a])(N[6]C[6,6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6]){1|C<4>,1|H<1>,1|S<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6a]C[6a,6a])(N[6]C[6,6a]C){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>}	119.8300	0.537	2	119.8300	0.289	2	119.8300	0.289	2	117.7027	0.717	28	118.0198	0.628	161	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a,6a]	3:3:	3:2:3:	3:2:3:	C[6a,6a]-3:C[6,6a]-3:	N[6,6a]-3:N[6a]-2:C[6]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6,6a]C[6])	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6,6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6,6a]C[6]){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6,6a]O){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	118.1940	0.000	1	118.1940	0.000	1	117.6710	0.310	3	117.7027	0.717	28	118.0198	0.628	161	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a,6a]	3:3:	3:2:3:	3:2:3:	C[6a,6a]-3:C[6,6a]-3:	N[6,6a]-3:N[6a]-2:C[6]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6,6a]C[6])	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]N[6]C)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6,6a]C[6]){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]N[6]C){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	117.7330	0.000	1	117.7330	0.000	1	117.6710	0.310	3	117.7027	0.717	28	118.0198	0.628	161	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a,6a]	3:3:	3:2:3:	3:2:3:	C[6a,6a]-3:C[6,6a]-3:	N[6,6a]-3:N[6a]-2:C[6]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6,6a]C[6])	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]N[6]O)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6,6a]C[6]){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]N[6]O){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	117.0860	0.000	1	117.0860	0.000	1	117.6710	0.310	3	117.7027	0.717	28	118.0198	0.628	161	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a,6a]	3:3:	3:2:3:	3:2:3:	C[6a,6a]-3:C[6,6a]-3:	N[6,6a]-3:N[6a]-2:N[6]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6,6a]N[6])	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(N[6]C[6]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6,6a]N[6]){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(N[6]C[6]H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>,2|N<3>}	116.6830	0.000	1	116.6830	0.000	1	116.6830	0.000	1	117.7027	0.717	28	118.0198	0.628	161	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a,6a]	3:3:	3:2:4:	3:2:2:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[3x6a]-3:N[6a]-2:O[6a]-2:	N[6a](C[6a,6a]C[3x6a]O[6a])(C[6,6a]C[6,6a]C[6])	C[6,6a](C[6,6a]C[6a,6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH)	C[6a,6a](C[3x6a]C[6a,6a]2)(N[6a]C[6,6a])(O[6a]C[6a])	N[6a](C[6a,6a]C[3x6a]O[6a])(C[6,6a]C[6,6a]C[6]){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH){1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C[6a,6a](C[3x6a]C[6a,6a]2)(N[6a]C[6,6a])(O[6a]C[6a]){1|C<4>,5|C<3>}	116.2790	0.000	1	116.2790	0.000	1	116.2790	0.000	1	116.9950	0.232	4	118.0198	0.628	161	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a,6a]	3:3:	3:2:4:	3:2:2:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6a,6a]-3:O[6a]-2:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6,6a]C[6])	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH)	C[6a,6a](C[6a,6a]C[6a]2)(O[6a]C[6a,6a])(N[6a]C[6,6a])	N[6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6,6a]C[6]){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH){1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[6a,6a](C[6a,6a]C[6a]2)(O[6a]C[6a,6a])(N[6a]C[6,6a]){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	117.2337	0.083	3	117.2337	0.007	3	117.2337	0.007	3	116.9950	0.232	4	118.0198	0.628	161	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a,6a]	3:3:	3:2:4:	3:2:3:	C[6a,6a]-3:C[6,6a]-3:	C[5,6,6a]-3:N[6a]-2:C[6]-4:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6,6a]C[6])	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(N[6a]C[6a,6a])(C[6]C[6]HH)	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6,6a]C[6]){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(N[6a]C[6a,6a])(C[6]C[6]HH){1|N<3>,2|C<4>,4|C<3>}	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(N[6a]C[6,6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	117.8187	0.085	6	117.8187	0.007	6	117.8187	0.007	6	118.1759	0.426	38	118.0198	0.628	161	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a,6a]	3:3:	3:2:4:	3:2:3:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6a]C[6a,6a])(C[6]C[6]HH)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6]){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6a]C[6a,6a])(C[6]C[6]HH){1|C<2>,1|N<4>,2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){1|C<2>,1|C<4>,2|C<3>,2|H<1>}	119.3837	0.448	3	119.3837	0.200	3	118.2720	0.422	30	118.1759	0.426	38	118.0198	0.628	161	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a,6a]	3:3:	3:2:4:	3:2:3:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])	C[6,6a](C[6,6a]C[5a,6]C[6a])(N[6a]C[6a,6a])(C[6]C[6]HH)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6]){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5a,6]C[6a])(N[6a]C[6a,6a])(C[6]C[6]HH){1|C<2>,1|N<3>,2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){1|C<2>,1|C<4>,2|C<3>,2|H<1>}	118.3470	0.000	1	118.3470	0.000	1	118.2720	0.422	30	118.1759	0.426	38	118.0198	0.628	161	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a,6a]	3:3:	3:2:4:	3:2:3:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])	C[6,6a](C[6,6a]C[6,6]C[6a])(N[6a]C[6a,6a])(C[6]C[6,6]HH)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6]){2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(N[6a]C[6a,6a])(C[6]C[6,6]HH){2|C<4>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	118.5725	0.550	4	118.5725	0.303	4	118.2720	0.422	30	118.1759	0.426	38	118.0198	0.628	161	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a,6a]	3:3:	3:2:4:	3:2:3:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6a]C[6a,6a])(C[6]C[6]HH)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6]){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6a]C[6a,6a])(C[6]C[6]HH){1|N<2>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	118.1420	0.163	2	118.1610	0.014	3	118.2720	0.422	30	118.1759	0.426	38	118.0198	0.628	161	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a,6a]	3:3:	3:2:4:	3:2:3:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6a]C[6a,6a])(C[6]C[6]HH)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6]){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6a]C[6a,6a])(C[6]C[6]HH){1|N<2>,3|C<3>,3|H<1>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	118.1990	0.000	1	118.1610	0.014	3	118.2720	0.422	30	118.1759	0.426	38	118.0198	0.628	161	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a,6a]	3:3:	3:2:4:	3:2:3:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6,6]HH)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6]){2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6,6]HH){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	118.5840	0.000	1	118.4780	0.022	2	118.2720	0.422	30	118.1759	0.426	38	118.0198	0.628	161	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a,6a]	3:3:	3:2:4:	3:2:3:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6,6]HH)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6]){2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6,6]HH){1|N<3>,3|C<3>,4|H<1>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	118.3720	0.000	1	118.4780	0.022	2	118.2720	0.422	30	118.1759	0.426	38	118.0198	0.628	161	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a,6a]	3:3:	3:2:4:	3:2:3:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]F)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6]){1|C<4>,1|F<1>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH){1|N<3>,1|O<1>,2|C<3>,3|C<4>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]F){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	116.9500	0.000	1	116.9500	0.000	1	118.2720	0.422	30	118.1759	0.426	38	118.0198	0.628	161	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a,6a]	3:3:	3:2:4:	3:2:3:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6]){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	118.3540	0.209	3	118.1116	0.259	15	118.2720	0.422	30	118.1759	0.426	38	118.0198	0.628	161	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a,6a]	3:3:	3:2:4:	3:2:3:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6]){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH){1|N<2>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	117.9720	0.000	1	118.1116	0.259	15	118.2720	0.422	30	118.1759	0.426	38	118.0198	0.628	161	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a,6a]	3:3:	3:2:4:	3:2:3:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6]){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH){1|O<1>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	117.8390	0.000	1	118.1116	0.259	15	118.2720	0.422	30	118.1759	0.426	38	118.0198	0.628	161	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a,6a]	3:3:	3:2:4:	3:2:3:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6]){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH){1|O<1>,3|C<3>,3|C<4>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	118.1023	0.097	3	118.1116	0.259	15	118.2720	0.422	30	118.1759	0.426	38	118.0198	0.628	161	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a,6a]	3:3:	3:2:4:	3:2:3:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6]){2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH){1|C<4>,2|C<3>,5|H<1>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	118.3965	0.043	2	118.1116	0.259	15	118.2720	0.422	30	118.1759	0.426	38	118.0198	0.628	161	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a,6a]	3:3:	3:2:4:	3:2:3:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6]){2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH){1|C<4>,3|C<3>,4|H<1>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	118.5600	0.000	1	118.1116	0.259	15	118.2720	0.422	30	118.1759	0.426	38	118.0198	0.628	161	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a,6a]	3:3:	3:2:4:	3:2:3:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6]){2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH){1|Cl<1>,1|C<4>,2|C<3>,4|H<1>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){2|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	118.2950	0.000	1	118.1116	0.259	15	118.2720	0.422	30	118.1759	0.426	38	118.0198	0.628	161	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a,6a]	3:3:	3:2:4:	3:2:3:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6]){2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH){1|N<3>,3|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	117.6153	1.029	3	118.1116	0.259	15	118.2720	0.422	30	118.1759	0.426	38	118.0198	0.628	161	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a,6a]	3:3:	3:2:4:	3:2:3:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]MoH)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6]){1|Mo<9>,2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]MoH){1|C<4>,2|C<3>,3|H<1>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	117.3100	0.000	1	117.3100	0.000	1	118.2720	0.422	30	118.1759	0.426	38	118.0198	0.628	161	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a,6a]	3:3:	3:2:4:	3:2:3:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6a,6a]-3:N[6a]-2:N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]C[6])	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]C[6]){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH){1|N<3>,1|O<1>,2|C<3>,3|C<4>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(N[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,2|O<1>}	116.7710	0.000	1	116.7710	0.000	1	116.7710	0.000	1	118.1759	0.426	38	118.0198	0.628	161	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a,6a]	3:3:	3:2:4:	3:2:3:	C[6a,6a]-3:C[6,6a]-3:	N[6,6a]-3:N[6a]-2:C[6]-4:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6,6a]C[6])	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6,6a]C[6]){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH){1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	118.8420	0.000	1	118.8420	0.000	1	118.8420	0.000	1	118.1759	0.426	38	118.0198	0.628	161	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a,6a]	3:3:	3:2:4:	3:3:2:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Br)(N[6a]C[6,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6]){1|Br<1>,2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH){1|C<4>,2|C<3>,5|H<1>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Br)(N[6a]C[6,6a]){1|C<4>,2|C<3>,3|H<1>}	118.4305	0.062	2	118.4305	0.004	2	118.4305	0.004	2	118.4305	0.004	2	118.0198	0.628	161	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a,6a]	3:3:	3:3:2:	3:2:3:	C[6,6a]-3:C[6a,6a]-3:	C[5a,6]-3:C[6,6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6,6a]C[5a,6]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6,6a]C[5a,6]C[6,6a])(C[6a,6a]C[6a,6a]C[6a]){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a]){1|C<4>,3|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	117.0660	0.000	1	117.0660	0.000	1	117.0660	0.000	1	117.6935	0.544	35	118.0198	0.628	161	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a,6a]	3:3:	3:3:2:	3:2:3:	C[6,6a]-3:C[6a,6a]-3:	C[5a,6]-3:N[6,6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6,6a]C[5a,6]N[6,6a])(C[6a,6a]C[6a,6a]C[6a])	C[6,6a](C[5a,6]C[5a,6]N[5a])(N[6,6a]C[6a]C[6])(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6,6a]C[5a,6]N[6,6a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,1|N<3>,5|C<3>}	C[6,6a](C[5a,6]C[5a,6]N[5a])(N[6,6a]C[6a]C[6])(N[6a]C[6a,6a]){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	117.7090	0.000	1	117.7090	0.000	1	117.3935	0.199	2	117.6935	0.544	35	118.0198	0.628	161	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a,6a]	3:3:	3:3:2:	3:2:3:	C[6,6a]-3:C[6a,6a]-3:	C[5a,6]-3:N[6,6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6,6a]C[5a,6]N[6,6a])(C[6a,6a]C[6a,6a]C[6a])	C[6,6a](C[5a,6]N[5a,6]C[5a])(N[6,6a]C[6a]C[6])(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6,6a]C[5a,6]N[6,6a])(C[6a,6a]C[6a,6a]C[6a]){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[6,6a](C[5a,6]N[5a,6]C[5a])(N[6,6a]C[6a]C[6])(N[6a]C[6a,6a]){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	117.0780	0.000	1	117.0780	0.000	1	117.3935	0.199	2	117.6935	0.544	35	118.0198	0.628	161	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a,6a]	3:3:	3:3:2:	3:2:3:	C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:N[6,6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6,6a]C[6,6a]N[6,6a])(C[6a,6a]C[6a,6a]C[6a])	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6,6a]C[5,6]C[6a])(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6,6a]C[6,6a]N[6,6a])(C[6a,6a]C[6a,6a]C[6a]){1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6,6a]C[5,6]C[6a])(N[6a]C[6a,6a]){1|C<4>,1|H<1>,1|O<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	118.5120	0.168	2	118.5120	0.028	2	117.3599	0.696	9	117.6935	0.544	35	118.0198	0.628	161	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a,6a]	3:3:	3:3:2:	3:2:3:	C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:N[6,6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6,6a]C[6,6a]N[6,6a])(C[6a,6a]C[6a,6a]C[6a])	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6,6a]C[6a]C[6])(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6,6a]C[6,6a]N[6,6a])(C[6a,6a]C[6a,6a]C[6a]){1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6,6a]C[6a]C[6])(N[6a]C[6a,6a]){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	117.7710	0.000	1	117.7710	0.000	1	117.3599	0.696	9	117.6935	0.544	35	118.0198	0.628	161	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a,6a]	3:3:	3:3:2:	3:2:3:	C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:N[6,6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6,6a]C[6,6a]N[6,6a])(C[6a,6a]C[6a,6a]C[6a])	C[6,6a](C[6,6a]N[6,6a]N[6a])(N[6,6a]C[6a]C[6])(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6,6a]C[6,6a]N[6,6a])(C[6a,6a]C[6a,6a]C[6a]){1|C<4>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]N[6,6a]N[6a])(N[6,6a]C[6a]C[6])(N[6a]C[6a,6a]){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	116.9073	0.546	6	116.9073	0.298	6	117.3599	0.696	9	117.6935	0.544	35	118.0198	0.628	161	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a,6a]	3:3:	3:3:2:	3:2:3:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]2)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]2){1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a]){1|C<4>,1|N<2>,3|C<3>,4|H<1>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	118.4590	0.000	1	118.0402	0.257	12	117.8383	0.520	20	117.6935	0.544	35	118.0198	0.628	161	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a,6a]	3:3:	3:3:2:	3:2:3:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]2)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]2){1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a]){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	117.5690	0.000	1	118.0402	0.257	12	117.8383	0.520	20	117.6935	0.544	35	118.0198	0.628	161	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a,6a]	3:3:	3:3:2:	3:2:3:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]2)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]2){1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a]){1|C<4>,2|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	118.4128	0.431	4	118.0402	0.257	12	117.8383	0.520	20	117.6935	0.544	35	118.0198	0.628	161	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a,6a]	3:3:	3:3:2:	3:2:3:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]2)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]2){1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a]){1|H<1>,1|N<3>,1|O<2>,2|C<4>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	118.3590	0.000	1	118.0402	0.257	12	117.8383	0.520	20	117.6935	0.544	35	118.0198	0.628	161	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a,6a]	3:3:	3:3:2:	3:2:3:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]2)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]2){1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a]){1|N<3>,2|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	117.8540	0.000	1	118.0402	0.257	12	117.8383	0.520	20	117.6935	0.544	35	118.0198	0.628	161	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a,6a]	3:3:	3:3:2:	3:2:3:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]2)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]2){1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a]){1|O<2>,2|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	117.7990	0.000	1	118.0402	0.257	12	117.8383	0.520	20	117.6935	0.544	35	118.0198	0.628	161	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a,6a]	3:3:	3:3:2:	3:2:3:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]2)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]2){1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a]){1|O<2>,3|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	117.0880	0.000	1	118.0402	0.257	12	117.8383	0.520	20	117.6935	0.544	35	118.0198	0.628	161	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a,6a]	3:3:	3:3:2:	3:2:3:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]2)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]2){1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a]){2|C<4>,3|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	117.8515	0.378	2	118.0402	0.257	12	117.8383	0.520	20	117.6935	0.544	35	118.0198	0.628	161	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a,6a]	3:3:	3:3:2:	3:2:3:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]2)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]N[6a]C[6])(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]2){1|H<1>,1|N<2>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]N[6a]C[6])(N[6a]C[6a,6a]){1|H<1>,1|O<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	117.2080	0.000	1	117.2080	0.000	1	117.8383	0.520	20	117.6935	0.544	35	118.0198	0.628	161	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a,6a]	3:3:	3:3:2:	3:2:3:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]2)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]N[6a]N[6])(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]2){1|H<1>,2|N<2>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]N[6a]N[6])(N[6a]C[6a,6a]){1|H<1>,1|N<3>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	116.1580	0.103	2	116.1580	0.011	2	117.8383	0.520	20	117.6935	0.544	35	118.0198	0.628	161	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a,6a]	3:3:	3:3:2:	3:2:3:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]2)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]2){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a]){1|C<4>,3|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	118.2025	0.022	2	118.1697	0.003	3	117.8383	0.520	20	117.6935	0.544	35	118.0198	0.628	161	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a,6a]	3:3:	3:3:2:	3:2:3:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]2)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]2){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a]){2|C<4>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	118.1040	0.000	1	118.1697	0.003	3	117.8383	0.520	20	117.6935	0.544	35	118.0198	0.628	161	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a,6a]	3:3:	3:3:2:	3:2:3:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]2)	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]2){1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a]){1|O<2>,3|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	118.2030	0.000	1	118.1255	0.012	2	117.8383	0.520	20	117.6935	0.544	35	118.0198	0.628	161	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a,6a]	3:3:	3:3:2:	3:2:3:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]2)	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]2){1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a]){1|O<2>,3|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	118.0480	0.000	1	118.1255	0.012	2	117.8383	0.520	20	117.6935	0.544	35	118.0198	0.628	161	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a,6a]	3:3:	3:3:2:	3:2:3:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6,6]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6,6])	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6,6]){1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(N[6a]C[6a,6a]){1|C<4>,1|N<2>,3|C<3>,4|H<1>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>}	117.7330	0.000	1	118.1377	0.131	3	118.1377	0.131	3	117.6935	0.544	35	118.0198	0.628	161	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a,6a]	3:3:	3:3:2:	3:2:3:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6,6]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6,6])	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6,6]){1|H<1>,3|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(N[6a]C[6a,6a]){2|C<4>,3|C<3>,6|H<1>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	118.3400	0.127	2	118.1377	0.131	3	118.1377	0.131	3	117.6935	0.544	35	118.0198	0.628	161	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6a,6a]-3:	N[5a,6]-3:C[6,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6,6a]C[6,6a]N[5a,6])(C[6a,6a]C[6a,6a]C[6a])	C[6,6a](N[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H)(N[6a]C[6,6a])	N[6a](C[6,6a]C[6,6a]N[5a,6])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,6|C<3>}	C[6,6a](N[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a]){1|C<4>,1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H)(N[6a]C[6,6a]){1|N<3>,2|H<1>,3|C<3>}	117.7600	0.000	1	117.7600	0.000	1	117.7600	0.000	1	118.5035	0.271	10	118.0198	0.628	161	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a,6a]	3:3:	3:3:2:	3:3:2:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]2)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(N[6a]C[6,6a])	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]2){1|C<2>,1|C<4>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a]){1|C<4>,4|C<3>,4|H<1>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(N[6a]C[6,6a]){2|H<1>,5|C<3>}	117.8900	0.000	1	117.8900	0.000	1	117.8900	0.000	1	118.5035	0.271	10	118.0198	0.628	161	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a,6a]	3:3:	3:3:2:	3:3:2:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]2)(C[6,6a]C[6,6a]2)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6,6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6,6a]C[6,6a]2){1|C<4>,6|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a]){1|C<4>,3|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6,6a]){3|H<1>,5|C<3>}	118.9450	0.227	5	118.9450	0.052	5	118.7714	0.122	7	118.5035	0.271	10	118.0198	0.628	161	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a,6a]	3:3:	3:3:2:	3:3:2:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]2)(C[6,6a]C[6,6a]2)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6,6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6,6a]C[6,6a]2){1|C<4>,1|N<2>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a]){1|C<4>,3|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6,6a]){2|H<1>,5|C<3>}	118.3375	0.042	2	118.3375	0.002	2	118.7714	0.122	7	118.5035	0.271	10	118.0198	0.628	161	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a,6a]	3:3:	3:3:2:	3:3:2:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]2)	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[5])(N[6a]C[6,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]2){1|C<4>,1|N<3>,5|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a]){1|O<2>,3|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[5])(N[6a]C[6,6a]){3|H<1>,5|C<3>}	117.9850	0.000	1	117.9850	0.000	1	117.9850	0.000	1	118.5035	0.271	10	118.0198	0.628	161	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a,6a]	3:3:	3:4:2:	3:2:3:	C[6,6a]-3:C[6a,6a]-3:	C[6,6a,6a]-3:C[6,6]-4:N[6a]-2:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6,6a]C[6,6a,6a]C[6,6])(C[6a,6a]C[6a,6a]C[6a])	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6a]C[6,6]H)(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6,6a]C[6,6a,6a]C[6,6])(C[6a,6a]C[6a,6a]C[6a]){1|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6a]C[6,6]H)(N[6a]C[6a,6a]){1|C<4>,2|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6,6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	118.0460	0.000	1	118.0460	0.000	1	118.0460	0.000	1	117.9699	0.051	7	118.0198	0.628	161	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a,6a]	3:3:	3:4:2:	3:2:3:	C[6,6a]-3:C[6a,6a]-3:	C[6,6a,6a]-3:C[6]-4:N[6a]-2:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a,6a]C[6a,6a]C[6a])	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6]C)(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a,6a]C[6a,6a]C[6a]){1|C<4>,1|H<1>,6|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6]C)(N[6a]C[6a,6a]){1|N<3>,1|O<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6,6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	118.0480	0.000	1	118.0480	0.000	1	118.0480	0.000	1	117.9699	0.051	7	118.0198	0.628	161	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a,6a]	3:3:	3:4:2:	3:2:3:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]BrH)(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6]){1|Br<1>,2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]BrH)(N[6a]C[6a,6a]){2|C<4>,3|C<3>,3|H<1>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	117.8795	0.326	2	117.8795	0.106	2	117.9390	0.072	5	117.9699	0.051	7	118.0198	0.628	161	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a,6a]	3:3:	3:4:2:	3:2:3:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6]){1|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(N[6a]C[6a,6a]){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	117.9787	0.292	3	117.9787	0.085	3	117.9390	0.072	5	117.9699	0.051	7	118.0198	0.628	161	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a,6a]	3:3:	4:3:2:	3:2:3:	C[6a,6a]-3:C[6,6a]-3:	C[5,6]-4:C[6,6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[5,6])	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[5,6]){2|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a]){1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	118.1830	0.000	1	118.1830	0.000	1	118.1830	0.000	1	118.6144	0.501	26	118.0198	0.628	161	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a,6a]	3:3:	4:3:2:	3:2:3:	C[6a,6a]-3:C[6,6a]-3:	C[6,6]-4:C[6,6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6,6])	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6,6]){1|H<1>,3|C<4>,4|C<3>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a]){1|C<4>,3|C<3>,7|H<1>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	119.2447	0.320	4	119.2447	0.102	4	118.6317	0.514	25	118.6144	0.501	26	118.0198	0.628	161	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a,6a]	3:3:	4:3:2:	3:2:3:	C[6a,6a]-3:C[6,6a]-3:	C[6,6]-4:C[6,6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6,6])	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6,6]){2|H<1>,3|C<3>,3|C<4>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a]){1|C<4>,4|C<3>,6|H<1>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	118.3305	0.097	2	118.1375	0.709	8	118.6317	0.514	25	118.6144	0.501	26	118.0198	0.628	161	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a,6a]	3:3:	4:3:2:	3:2:3:	C[6a,6a]-3:C[6,6a]-3:	C[6,6]-4:C[6,6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6,6])	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6,6]){2|H<1>,3|C<3>,3|C<4>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a]){2|Br<1>,1|C<4>,4|C<3>,4|H<1>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	118.0732	0.985	6	118.1375	0.709	8	118.6317	0.514	25	118.6144	0.501	26	118.0198	0.628	161	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a,6a]	3:3:	4:3:2:	3:2:3:	C[6a,6a]-3:C[6,6a]-3:	C[6,6]-4:C[6,6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6,6])	C[6,6a](C[6,6]S[6,6]C[6]H)(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6,6]){1|S<2>,2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6]S[6,6]C[6]H)(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a]){2|Br<1>,1|C<4>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	118.7504	0.610	7	118.7472	0.286	13	118.6317	0.514	25	118.6144	0.501	26	118.0198	0.628	161	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a,6a]	3:3:	4:3:2:	3:2:3:	C[6a,6a]-3:C[6,6a]-3:	C[6,6]-4:C[6,6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6,6])	C[6,6a](C[6,6]S[6,6]C[6]H)(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6,6]){1|S<2>,2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6]S[6,6]C[6]H)(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a]){2|Br<1>,1|C<4>,3|C<3>,3|H<1>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	118.7433	0.490	6	118.7472	0.286	13	118.6317	0.514	25	118.6144	0.501	26	118.0198	0.628	161	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a,6a]	3:3:	4:3:2:	3:3:2:	C[6a,6a]-3:C[6,6a]-3:	C[6,6]-4:C[6,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6,6])	C[6,6a](C[6,6]S[6,6]C[6]H)(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Br)(N[6a]C[6,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6,6]){1|Br<1>,1|H<1>,1|S<2>,2|C<4>,3|C<3>}	C[6,6a](C[6,6]S[6,6]C[6]H)(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a]){1|C<4>,3|C<3>,5|H<1>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Br)(N[6a]C[6,6a]){1|C<4>,2|C<3>,3|H<1>}	118.6020	0.256	2	118.6020	0.066	2	118.6020	0.066	2	118.6020	0.066	2	118.0198	0.628	161	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:2:2:	2:2:1:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6a]-2:O[6]-2:	N[6a]-2:N[6a]-2:Cl-1:	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]N[6a]Cl)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(O[6]C[6])	C[6a](N[6a]C[6,6a])(N[6a]C[6a])(Cl)	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]N[6a]Cl){1|C<4>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(O[6]C[6]){2|Cl<1>,1|H<1>,1|N<2>,3|C<3>}	C[6a](N[6a]C[6,6a])(N[6a]C[6a])(Cl){1|Cl<1>,1|C<3>,1|O<2>}	114.1790	0.515	2	114.1790	0.265	2	114.1790	0.265	2	116.1327	8.034	7	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:2:2:	2:2:1:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:O[6]-2:N[6a]-2:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]N[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(O[6]C[6,6a])(N[6a]C[6a])	C[6a](N[6a]C[6,6a])(N[6a]C[6a])(H)	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]N[6a]H){1|C<4>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(O[6]C[6,6a])(N[6a]C[6a]){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[6a](N[6a]C[6,6a])(N[6a]C[6a])(H){1|C<3>,1|N<3>,1|O<2>}	114.0470	0.000	1	113.6125	0.378	2	113.6125	0.378	2	116.1327	8.034	7	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:2:2:	2:2:1:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:O[6]-2:N[6a]-2:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]N[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(O[6]C[6,6a])(N[6a]C[6a])	C[6a](N[6a]C[6,6a])(N[6a]C[6a])(H)	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]N[6a]H){1|C<4>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(O[6]C[6,6a])(N[6a]C[6a]){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6a](N[6a]C[6,6a])(N[6a]C[6a])(H){1|C<3>,1|N<3>,1|O<2>}	113.1780	0.000	1	113.6125	0.378	2	113.6125	0.378	2	116.1327	8.034	7	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:2:2:	2:2:1:	C[6,6a]-3:C[6a]-3:	N[6,6a,6a]-3:N[6a]-2:N[6]-2:	N[6a]-2:N[6a]-2:O-1:	N[6a](C[6,6a]N[6,6a,6a]N[6])(C[6a]N[6a]O)	C[6,6a](N[6,6a,6a]C[6a,6a]C[6,6a])(N[6a]C[6a])(N[6]C[6])	C[6a](N[6a]C[6a,6a])(N[6a]C[6,6a])(O)	N[6a](C[6,6a]N[6,6a,6a]N[6])(C[6a]N[6a]O){3|C<3>}	C[6,6a](N[6,6a,6a]C[6a,6a]C[6,6a])(N[6a]C[6a])(N[6]C[6]){1|N<3>,1|O<1>,1|O<2>,3|N<2>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6,6a])(O){1|N<3>,2|N<2>}	119.1153	0.518	3	119.1153	0.268	3	119.1153	0.268	3	116.1327	8.034	7	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:2:2:	2:2:2:	C[6,6a]-3:C[6a]-3:	N[6,6,6a]-3:N[6a]-2:N[6]-2:	N[6a]-2:N[6a]-2:N-2:	N[6a](C[6,6a]N[6,6,6a]N[6])(C[6a]N[6a]N)	C[6,6a](N[6,6,6a]C[6,6a]C[6,6])(N[6a]C[6a])(N[6]C[6])	C[6a](N[6a]C[6,6a])2(NP)	N[6a](C[6,6a]N[6,6,6a]N[6])(C[6a]N[6a]N){3|C<3>}	C[6,6a](N[6,6,6a]C[6,6a]C[6,6])(N[6a]C[6a])(N[6]C[6]){1|N<3>,5|N<2>}	C[6a](N[6a]C[6,6a])2(NP){1|N<3>,2|N<2>}	116.9060	1.048	2	116.9060	1.098	2	116.9060	1.098	2	116.9060	1.098	2	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:2:2:	2:2:3:	C[6,6a]-3:C[6a]-3:	C[5a,6,6a]-3:N[6a]-2:S[6]-2:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6,6a]C[5a,6,6a]S[6])(C[6a]N[6a]N)	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(N[6a]C[6a])(S[6]C[6])	C[6a](N[6a]C[5a,6a])(N[6a]C[6,6a])(NHH)	N[6a](C[6,6a]C[5a,6,6a]S[6])(C[6a]N[6a]N){1|C<4>,2|C<3>}	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(N[6a]C[6a])(S[6]C[6]){1|C<3>,1|C<4>,1|N<2>,2|H<1>,2|N<3>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6,6a])(NHH){1|C<3>,1|N<3>,1|S<2>}	116.8410	0.000	1	116.8410	0.000	1	116.8410	0.000	1	116.2937	0.642	3	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:2:2:	2:2:3:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6a]-2:N[6]-2:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]N)	C[6,6a](C[6,6a]C[6a]N[6])(N[6a]C[6a])(N[6]C[6])	C[6a](N[6a]C[6,6a])(N[6a]C[6a])(NHH)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]N){1|N<3>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6a]C[6a])(N[6]C[6]){1|Ni<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<2>}	C[6a](N[6a]C[6,6a])(N[6a]C[6a])(NHH){1|C<3>,1|N<2>,1|O<2>}	115.3740	0.000	1	115.3740	0.000	1	115.3740	0.000	1	116.2937	0.642	3	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:2:2:	2:2:3:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:S[6]-2:N[6a]-2:	N[6a]-2:N[6a]-2:N[5]-3:	N[6a](C[6,6a]C[6,6a]S[6])(C[6a]N[6a]N[5])	C[6,6a](C[6,6a]C[6a]N[6])(S[6]C[6,6a])(N[6a]C[6a])	C[6a](N[6a]C[6,6a])(N[6a]C[6a])(N[5]C[5]2)	N[6a](C[6,6a]C[6,6a]S[6])(C[6a]N[6a]N[5]){1|N<3>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]N[6])(S[6]C[6,6a])(N[6a]C[6a]){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6,6a])(N[6a]C[6a])(N[5]C[5]2){1|C<3>,1|S<2>,2|C<4>,5|H<1>}	116.6660	0.000	1	116.6660	0.000	1	116.6660	0.000	1	116.2937	0.642	3	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:2:2:	2:3:1:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6a]-2:C[6]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(C[6]C[6])	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H){1|C<2>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(C[6]C[6]){1|C<4>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|C<4>}	123.3100	0.000	1	123.3100	0.000	1	123.3100	0.000	1	117.4612	4.411	12	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:2:2:	2:3:1:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6a]-2:S[6]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(S[6]C[6])	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H)	N[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(S[6]C[6]){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<2>}	116.6490	0.000	1	116.6490	0.000	1	116.6490	0.000	1	117.4612	4.411	12	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:2:2:	2:3:1:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:O[6]-2:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]O[6])(O[6]C[5a,6])(N[6a]C[6a])	C[6a](N[6a]C[6,6a])(C[6a]C[6a]C)(H)	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(O[6]C[5a,6])(N[6a]C[6a]){2|H<1>,3|C<3>}	C[6a](N[6a]C[6,6a])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<2>}	117.7350	0.000	1	117.7350	0.000	1	116.5159	0.531	7	117.4612	4.411	12	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:2:2:	2:3:1:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:O[6]-2:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6a]O[6])(O[6]C[5a,6])(N[6a]C[6a])	C[6a](N[6a]C[6,6a])(C[6a]N[6a]H)(H)	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<2>,1|O<2>}	C[6,6a](C[6,6a]N[6a]O[6])(O[6]C[5a,6])(N[6a]C[6a]){1|H<1>,3|C<3>}	C[6a](N[6a]C[6,6a])(C[6a]N[6a]H)(H){1|C<3>,1|O<2>}	116.6345	0.222	4	116.6345	0.049	4	116.5159	0.531	7	117.4612	4.411	12	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:2:2:	2:3:1:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:O[6]-2:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6a]O[6])(O[6]C[6,6a])(N[6a]C[6a])	C[6a](N[6a]C[6,6a])(C[6a]N[6a]H)(H)	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<2>,1|O<2>}	C[6,6a](C[6,6a]N[6a]O[6])(O[6]C[6,6a])(N[6a]C[6a]){1|H<1>,3|C<3>}	C[6a](N[6a]C[6,6a])(C[6a]N[6a]H)(H){1|C<3>,1|O<2>}	115.6690	0.250	2	115.6690	0.063	2	116.5159	0.531	7	117.4612	4.411	12	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:2:2:	2:3:1:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:S[6]-2:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6a]S[6])(S[6]C[6,6a])(N[6a]C[6a])	C[6a](N[6a]C[6,6a])(C[6a]N[6a]H)(H)	N[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[6,6a](C[6,6a]N[6a]S[6])(S[6]C[6,6a])(N[6a]C[6a]){1|H<1>,1|N<2>,2|C<3>}	C[6a](N[6a]C[6,6a])(C[6a]N[6a]H)(H){1|C<3>,1|S<2>}	117.2420	0.206	2	117.2420	0.043	2	117.2420	0.043	2	117.4612	4.411	12	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:2:2:	2:3:1:	C[6,6a]-3:C[6a]-3:	N[6,6a]-3:N[6a]-2:O[6]-2:	N[6a]-2:C[6a]-3:O-1:	N[6a](C[6,6a]N[6,6a]O[6])(C[6a]C[6a]O)	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a])(O[6]C[6])	C[6a](N[6a]C[6,6a])(C[6a]C[6a]C)(O)	N[6a](C[6,6a]N[6,6a]O[6])(C[6a]C[6a]O){1|C<3>,3|C<4>}	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a])(O[6]C[6]){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6a](N[6a]C[6,6a])(C[6a]C[6a]C)(O){1|H<1>,1|N<3>,1|O<2>}	119.4800	0.000	1	119.4800	0.000	1	119.4800	0.000	1	117.4612	4.411	12	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:2:2:	2:3:2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-2:N[6a]-2:	N[6a]-2:C[6a]-3:O-2:	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[3x6])(N[6a]C[6a])	C[6a](N[6a]C[6,6a])(C[6a]N[6a]O)(OC)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O){1|C<2>,1|C<3>,1|N<2>,1|O<2>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[3x6])(N[6a]C[6a]){1|C<4>,1|O<2>,2|C<3>}	C[6a](N[6a]C[6,6a])(C[6a]N[6a]O)(OC){1|C<2>,1|C<3>}	116.2830	0.000	1	116.2830	0.000	1	116.2830	0.000	1	117.1223	0.530	3	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:2:2:	2:3:2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6a]-2:N[6]-2:	N[6a]-2:C[6a]-3:C-2:	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)	C[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6a])(N[6]C[6])	C[6a](N[6a]C[6,6a])(C[6a]N[6a]C)(CN)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C){1|C<2>,1|N<2>,2|C<3>}	C[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6a])(N[6]C[6]){1|C<2>,1|C<3>,1|N<2>,2|O<1>}	C[6a](N[6a]C[6,6a])(C[6a]N[6a]C)(CN){1|C<3>,1|N<2>}	117.5760	0.000	1	117.5760	0.000	1	117.5760	0.000	1	117.1223	0.530	3	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:2:2:	2:3:2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6a]-2:N[6]-2:	N[6a]-2:C[6a]-3:O-2:	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6])	C[6a](N[6a]C[6,6a])(C[6a]C[6a]C)(OC)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O){1|C<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]){1|C<2>,1|H<1>,1|O<2>,3|C<3>}	C[6a](N[6a]C[6,6a])(C[6a]C[6a]C)(OC){1|N<2>,2|C<3>}	117.5080	0.000	1	117.5080	0.000	1	117.5080	0.000	1	117.1223	0.530	3	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:2:2:	2:3:3:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:O[6]-2:N[6a]-2:	N[6a]-2:C[6a]-3:N-3:	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]N)	C[6,6a](C[6,6a]C[6a]C[6])(O[6]C[6,6a])(N[6a]C[6a])	C[6a](N[6a]C[6,6a])(C[6a]C[6a]C)(NHH)	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]N){1|C<2>,1|C<4>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(O[6]C[6,6a])(N[6a]C[6a]){1|H<1>,1|S<2>,2|N<3>,3|C<3>}	C[6a](N[6a]C[6,6a])(C[6a]C[6a]C)(NHH){1|C<3>,1|N<3>,1|O<2>}	116.8900	0.164	2	116.8900	0.027	2	116.8900	0.027	2	116.8167	0.030	3	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:2:2:	2:3:3:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:O[6]-2:N[6a]-2:	N[6a]-2:N[6a]-3:N-3:	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]N[6a]N)	C[6,6a](C[6,6a]C[6a]C[6])(O[6]C[5a,6])(N[6a]C[6a])	C[6a](N[6a]C[6,6a])(N[6a]C[6a]2)(NCC)	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]N[6a]N){1|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(O[6]C[5a,6])(N[6a]C[6a]){1|H<1>,1|O<1>,2|C<3>,3|N<3>}	C[6a](N[6a]C[6,6a])(N[6a]C[6a]2)(NCC){1|O<1>,1|O<2>,3|C<3>}	116.6700	0.000	1	116.6700	0.000	1	116.6700	0.000	1	116.8167	0.030	3	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:2:2:	2:3:4:	C[6,6a]-3:C[6a]-3:	N[6,6a]-3:N[6a]-2:S[6]-2:	N[6a]-2:C[6a]-3:C-4:	N[6a](C[6,6a]N[6,6a]S[6])(C[6a]C[6a]C)	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a])(S[6]C[6])	C[6a](N[6a]C[6,6a])(C[6a]C[6a]C)(CH3)	N[6a](C[6,6a]N[6,6a]S[6])(C[6a]C[6a]C){1|C<4>,3|C<3>}	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a])(S[6]C[6]){1|O<1>,2|C<3>,4|C<4>}	C[6a](N[6a]C[6,6a])(C[6a]C[6a]C)(CH3){1|N<3>,1|O<1>,1|S<2>}	118.6270	0.000	1	118.6270	0.000	1	118.6270	0.000	1	118.6270	0.000	1	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:2:2:	3:2:1:	C[6,6a]-3:C[6a]-3:	C[6,6a,6a]-3:N[6a]-2:N[6]-2:	N[6a]-3:N[6a]-2:H-1:	N[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]N[6a]H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[6a]C[6a])(N[6]C[6])	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6,6a])(H)	N[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]N[6a]H){1|H<1>,3|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[6a]C[6a])(N[6]C[6]){2|H<1>,2|N<2>,2|N<3>}	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6,6a])(H){1|C<3>,2|N<2>}	116.3830	0.000	1	116.3830	0.000	1	116.3830	0.000	1	117.4224	1.040	5	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:2:2:	3:2:1:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-2:N[6a]-2:	C[6a]-3:N[6a]-2:Cl-1:	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Cl)	C[6,6a](C[6,6a]N[6a]S[6])(N[6]C[6,6])(N[6a]C[6a])	C[6a](C[6a]N[6a]Cl)(N[6a]C[6,6a])(Cl)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Cl){1|Cl<1>,1|C<3>,1|N<2>,1|S<2>}	C[6,6a](C[6,6a]N[6a]S[6])(N[6]C[6,6])(N[6a]C[6a]){1|Cl<1>,1|N<3>,2|C<3>}	C[6a](C[6a]N[6a]Cl)(N[6a]C[6,6a])(Cl){1|C<3>,1|N<2>}	117.8770	0.000	1	117.8770	0.000	1	117.8770	0.000	1	117.4224	1.040	5	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:2:2:	3:2:1:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6a]-2:O[6]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(N[6a]C[6a])(O[6]C[6])	C[6a](C[6a]C[6a]Cl)(N[6a]C[6,6a])(H)	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,2|C<3>}	C[6,6a](C[6,6a]C[5a,6]C[6a])(N[6a]C[6a])(O[6]C[6]){1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]Cl)(N[6a]C[6,6a])(H){1|C<3>,1|H<1>,1|O<2>}	116.9750	0.000	1	116.9750	0.000	1	116.9750	0.000	1	117.4224	1.040	5	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:2:2:	3:2:1:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6a]-2:S[6]-2:	C[6a]-3:N[6a]-2:Cl-1:	N[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]Cl)	C[6,6a](C[6,6a]N[6a]N[6])(N[6a]C[6a])(S[6]C[6,6])	C[6a](C[6a]N[6a]Cl)(N[6a]C[6,6a])(Cl)	N[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]Cl){1|Cl<1>,1|C<3>,2|N<2>}	C[6,6a](C[6,6a]N[6a]N[6])(N[6a]C[6a])(S[6]C[6,6]){1|Cl<1>,3|C<3>}	C[6a](C[6a]N[6a]Cl)(N[6a]C[6,6a])(Cl){1|C<3>,1|S<2>}	116.9040	0.000	1	116.9040	0.000	1	116.9040	0.000	1	117.4224	1.040	5	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:2:2:	3:2:1:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:O[6]-2:N[6a]-2:	C[6a]-3:N[6a]-2:Cl-1:	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]Cl)	C[6,6a](C[6,6a]C[6a]O[6])(O[6]C[5a,6])(N[6a]C[6a])	C[6a](C[6a]C[6a]Cl)(N[6a]C[6,6a])(Cl)	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]Cl){1|Cl<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(O[6]C[5a,6])(N[6a]C[6a]){1|Cl<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]Cl)(N[6a]C[6,6a])(Cl){1|C<3>,1|H<1>,1|O<2>}	118.9730	0.000	1	118.9730	0.000	1	118.9730	0.000	1	117.4224	1.040	5	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:2:2:	3:2:2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6a]-2:O[6]-2:	C[6a,6a]-3:N[6a]-2:O-2:	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]O)	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(N[6a]C[6a])(O[6]C[6])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6,6a])(OC)	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]O){1|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(N[6a]C[6a])(O[6]C[6]){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6,6a])(OC){1|H<1>,1|O<2>,3|C<3>}	116.6170	0.092	3	116.6170	0.008	3	116.6170	0.008	3	116.6170	0.008	3	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:2:2:	3:2:3:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6a]-2:O[6]-2:	C[6a,6a]-3:N[6a]-2:N-3:	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]N)	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(N[6a]C[6a])(O[6]C[6])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6,6a])(NCH)	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]N){1|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(N[6a]C[6a])(O[6]C[6]){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6,6a])(NCH){1|H<1>,1|O<2>,3|C<3>}	117.3180	0.000	1	117.3180	0.000	1	117.3180	0.000	1	117.3180	0.000	1	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:2:3:	2:2:1:	C[6,6a]-3:C[6a]-3:	C[6,6a,6a]-3:N[6a]-2:N[6]-3:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]N[6a]H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[6a]C[6a])(N[6]C[6]H)	C[6a](N[6a]C[6a,6a])(N[6a]C[6,6a])(H)	N[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]N[6a]H){1|H<1>,3|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[6a]C[6a])(N[6]C[6]H){1|N<3>,2|H<1>,3|N<2>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6,6a])(H){1|C<3>,2|N<3>}	116.6540	0.000	1	116.6540	0.000	1	116.6540	0.000	1	115.2580	3.898	2	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:2:3:	2:2:1:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6a]-2:N[6]-3:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]C)	C[6a](N[6a]C[6,6a])(N[6a]C[6a])(H)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]H){1|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]C){1|N<2>,2|N<3>,5|H<1>}	C[6a](N[6a]C[6,6a])(N[6a]C[6a])(H){1|C<3>,2|N<3>}	113.8620	0.000	1	113.8620	0.000	1	113.8620	0.000	1	115.2580	3.898	2	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:2:3:	2:2:3:	C[6,6a]-3:C[6a]-3:	C[6,6a,6a]-3:N[6a]-2:C[6]-3:	N[6a]-2:N[6a]-2:C[6a]-3:	N[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]N[6a])	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[6a]C[6a])(C[6]C[6]H)	C[6a](N[6a]C[6a,6a])(N[6a]C[6,6a])(C[6a]C[6a]2)	N[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]N[6a]){1|H<1>,5|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[6a]C[6a])(C[6]C[6]H){1|H<1>,1|N<2>,4|C<3>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6,6a])(C[6a]C[6a]2){1|H<1>,1|O<2>,5|C<3>}	116.7990	0.000	1	116.7990	0.000	1	116.7990	0.000	1	116.1755	0.180	4	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:2:3:	2:2:3:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6a]-2:N[6]-3:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]N)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]H)	C[6a](N[6a]C[6,6a])(N[6a]C[6a])(NHH)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]N){1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]H){1|H<1>,1|N<2>,1|O<1>,2|C<4>,2|N<3>}	C[6a](N[6a]C[6,6a])(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|N<3>}	115.9070	0.000	2	115.9070	0.000	2	115.9070	0.000	2	116.1755	0.180	4	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:2:3:	2:2:3:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6a]-2:N[6]-3:	N[6a]-2:N[6a]-2:N[6]-3:	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]N[6])	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]C)	C[6a](N[6a]C[6,6a])(N[6a]C[6a])(N[6]C[6]2)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]N[6]){3|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]C){1|C<3>,1|N<2>,1|N<3>,1|O<2>,2|H<1>}	C[6a](N[6a]C[6,6a])(N[6a]C[6a])(N[6]C[6]2){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	116.0890	0.000	1	116.0890	0.000	1	116.0890	0.000	1	116.1755	0.180	4	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:2:3:	2:3:1:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6a]-2:C[6]-3:	N[6a]-2:C[6a]-3:Cl-1:	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(C[6]C[6]N)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(Cl)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(C[6]C[6]N){1|Cl<1>,1|C<3>,2|C<4>,3|H<1>}	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	116.6780	0.000	1	116.6780	0.000	1	116.6780	0.000	1	116.5280	1.011	28	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:2:3:	2:3:1:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6a]-2:C[6]-3:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[3,6]C[6a])(N[6a]C[6a])(C[6]C[6]H)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[3,6]C[6a])(N[6a]C[6a])(C[6]C[6]H){1|C<3>,2|C<4>,4|H<1>}	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	116.8795	0.129	2	116.8795	0.017	2	116.6280	1.147	22	116.5280	1.011	28	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:2:3:	2:3:1:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6a]-2:C[6]-3:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6a]C[6a])(C[6]N[6]H)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6a]C[6a])(C[6]N[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	117.1610	2.015	2	117.1610	4.061	2	116.6280	1.147	22	116.5280	1.011	28	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:2:3:	2:3:1:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6a]-2:C[6]-3:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(C[6]C[6]H)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(C[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	116.7200	0.000	1	116.5930	0.032	2	116.6280	1.147	22	116.5280	1.011	28	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:2:3:	2:3:1:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6a]-2:C[6]-3:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(C[6]C[6]H)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(C[6]C[6]H){1|N<3>,3|C<3>,3|H<1>}	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	116.4660	0.000	1	116.5930	0.032	2	116.6280	1.147	22	116.5280	1.011	28	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:2:3:	2:3:1:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6a]-2:C[6]-3:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(C[6]C[6]O)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(C[6]C[6]O){2|Cl<1>,1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	116.6430	0.000	1	117.6197	1.011	4	116.6280	1.147	22	116.5280	1.011	28	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:2:3:	2:3:1:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6a]-2:C[6]-3:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(C[6]C[6]O)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H){1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(C[6]C[6]O){1|Cl<1>,2|C<3>,3|H<1>}	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	117.8120	0.000	1	117.6197	1.011	4	116.6280	1.147	22	116.5280	1.011	28	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:2:3:	2:3:1:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6a]-2:C[6]-3:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(C[6]C[6]O)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H){1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(C[6]C[6]O){1|I<1>,1|S<4>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	118.9430	0.000	1	117.6197	1.011	4	116.6280	1.147	22	116.5280	1.011	28	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:2:3:	2:3:1:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6a]-2:C[6]-3:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(C[6]C[6]O)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H){1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(C[6]C[6]O){1|N<2>,2|C<3>,3|H<1>}	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	117.0810	0.000	1	117.6197	1.011	4	116.6280	1.147	22	116.5280	1.011	28	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:2:3:	2:3:1:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6a]-2:C[6]-3:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(N[6a]C[6a])(C[6]C[6]H)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6a]C[6a])(C[6]C[6]H){1|Al<6>,1|O<2>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>}	115.2663	0.343	3	116.2310	0.687	8	116.6280	1.147	22	116.5280	1.011	28	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:2:3:	2:3:1:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6a]-2:C[6]-3:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(N[6a]C[6a])(C[6]C[6]H)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6a]C[6a])(C[6]C[6]H){1|Cr<8>,1|C<4>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>}	116.8705	0.056	2	116.2310	0.687	8	116.6280	1.147	22	116.5280	1.011	28	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:2:3:	2:3:1:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6a]-2:C[6]-3:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(N[6a]C[6a])(C[6]C[6]H)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6a]C[6a])(C[6]C[6]H){1|Rh<5>,1|C<4>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>}	116.5610	0.000	1	116.2310	0.687	8	116.6280	1.147	22	116.5280	1.011	28	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:2:3:	2:3:1:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6a]-2:C[6]-3:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(N[6a]C[6a])(C[6]C[6]H)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6a]C[6a])(C[6]C[6]H){1|Rh<8>,1|C<4>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>}	116.9820	0.000	1	116.2310	0.687	8	116.6280	1.147	22	116.5280	1.011	28	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:2:3:	2:3:1:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6a]-2:C[6]-3:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(N[6a]C[6a])(C[6]C[6]H)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6a]C[6a])(C[6]C[6]H){1|Zr<10>,1|C<4>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>}	116.7650	0.000	1	116.2310	0.687	8	116.6280	1.147	22	116.5280	1.011	28	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:2:3:	2:3:1:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6a]-2:C[6]-3:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(N[6a]C[6a])(C[6]C[6]N)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H){1|H<1>,2|C<3>,2|N<3>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6a]C[6a])(C[6]C[6]N){1|Pt<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>}	117.0020	0.000	1	117.0020	0.000	1	116.6280	1.147	22	116.5280	1.011	28	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:2:3:	2:3:1:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6a]-2:C[6]-3:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(N[6a]C[6a])(C[6]C[6]O)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6a]C[6a])(C[6]C[6]O){1|Pt<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>}	114.1690	0.000	1	114.1690	0.000	1	116.6280	1.147	22	116.5280	1.011	28	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:2:3:	2:3:1:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6a]-2:C[6]-3:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6a]N[6])(N[6a]C[6a])(C[6]N[6]S)	C[6a](N[6a]C[6,6a])(C[6a]N[6a]H)(H)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|S<1>,2|N<3>}	C[6,6a](C[6,6a]N[6a]N[6])(N[6a]C[6a])(C[6]N[6]S){2|C<3>,3|H<1>}	C[6a](N[6a]C[6,6a])(C[6a]N[6a]H)(H){2|C<3>}	116.5255	0.221	2	116.5255	0.049	2	116.6280	1.147	22	116.5280	1.011	28	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:2:3:	2:3:1:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6a]-2:N[6]-3:	N[6a]-2:C[6a]-3:Cl-1:	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Cl)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]H)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(Cl)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Cl){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]H){1|Cl<1>,1|H<1>,2|C<3>,2|C<4>}	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<3>}	115.3650	0.000	1	115.3650	0.000	1	115.3650	0.000	1	116.5280	1.011	28	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:2:3:	2:3:1:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6a]-2:N[6]-3:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6a]C[6a])(N[6]S[6]C)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6a]C[6a])(N[6]S[6]C){1|N<2>,2|C<3>,2|H<1>,2|O<1>}	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	117.1240	0.000	1	117.1240	0.000	1	116.2123	0.625	3	116.5280	1.011	28	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:2:3:	2:3:1:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6a]-2:N[6]-3:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6a])(N[6]C[6]H)	C[6a](N[6a]C[6,6a])(C[6a]N[6a]H)(H)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6a])(N[6]C[6]H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|S<1>}	C[6a](N[6a]C[6,6a])(C[6a]N[6a]H)(H){1|C<3>,1|N<3>}	115.7970	0.000	1	115.7565	0.003	2	116.2123	0.625	3	116.5280	1.011	28	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:2:3:	2:3:1:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6a]-2:N[6]-3:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6a])(N[6]C[6]H)	C[6a](N[6a]C[6,6a])(C[6a]N[6a]H)(H)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6a])(N[6]C[6]H){1|C<3>,1|H<1>,1|N<3>,2|S<1>}	C[6a](N[6a]C[6,6a])(C[6a]N[6a]H)(H){1|C<3>,1|N<3>}	115.7160	0.000	1	115.7565	0.003	2	116.2123	0.625	3	116.5280	1.011	28	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:2:3:	2:3:1:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6a]-2:N[6]-3:	N[6a]-2:N[6a]-3:H-1:	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]C)	C[6a](N[6a]C[6,6a])(N[6a]C[6a]2)(H)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]H){1|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]C){1|Cl<1>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6,6a])(N[6a]C[6a]2)(H){1|N<3>,1|O<1>,3|C<3>}	116.2870	0.000	1	116.2870	0.000	1	116.2870	0.000	1	116.5280	1.011	28	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:2:3:	2:3:2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6a]-2:C[6]-3:	N[6a]-2:C[6a]-3:C-2:	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)	C[6,6a](C[6,6a]N[6a]N[6])(N[6a]C[6a])(C[6]N[6]O)	C[6a](N[6a]C[6,6a])(C[6a]N[6a]C)(CN)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C){1|C<2>,1|O<1>,3|N<2>}	C[6,6a](C[6,6a]N[6a]N[6])(N[6a]C[6a])(C[6]N[6]O){1|C<2>,2|C<3>}	C[6a](N[6a]C[6,6a])(C[6a]N[6a]C)(CN){2|C<3>}	115.3760	0.000	1	115.3760	0.000	1	115.3760	0.000	1	117.5396	19.844	5	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:2:3:	2:3:2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6a]-2:C[6]-3:	N[6a]-2:C[6a]-3:S-2:	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]S)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(C[6]C[6]H)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]C)(SH)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]S){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(C[6]C[6]H){1|C<2>,1|C<3>,1|S<2>,3|H<1>}	C[6a](N[6a]C[6,6a])(C[6a]C[6a]C)(SH){1|H<1>,2|C<3>}	125.5040	0.000	1	125.5040	0.000	1	125.5040	0.000	1	117.5396	19.844	5	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:2:3:	2:3:2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6a]-2:N[6]-3:	N[6a]-2:C[6a]-3:N-2:	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]H)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(NN)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(NN){1|C<3>,1|H<1>,1|N<3>}	115.7240	0.000	1	115.7240	0.000	1	115.7240	0.000	1	117.5396	19.844	5	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:2:3:	2:3:2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6a]-2:N[6]-3:	N[6a]-2:N[6a]-3:O-2:	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]C)	C[6a](N[6a]C[6,6a])(N[6a]C[6a]H)(OC)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O){1|C<3>,1|H<1>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]C){1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|H<1>}	C[6a](N[6a]C[6,6a])(N[6a]C[6a]H)(OC){1|C<3>,1|N<3>,1|O<1>}	115.6570	0.000	1	115.6570	0.000	1	115.6570	0.000	1	117.5396	19.844	5	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:2:3:	2:3:2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6a]-2:N[6]-3:	N[6a]-2:N[6a]-3:S-2:	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]S)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]H)	C[6a](N[6a]C[6,6a])(N[6a]C[6a]H)(SC)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]S){1|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]H){1|C<4>,1|N<3>,1|O<1>,1|S<2>,4|H<1>}	C[6a](N[6a]C[6,6a])(N[6a]C[6a]H)(SC){1|C<3>,1|N<3>,1|O<1>}	115.4370	0.000	1	115.4370	0.000	1	115.4370	0.000	1	117.5396	19.844	5	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:2:3:	2:3:3:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6a]-2:C[6]-3:	N[6a]-2:C[6a]-3:C-3:	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)	C[6,6a](C[6,6a]C[5a,6]C[6a])(N[6a]C[6a])(C[6]C[6]O)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(COO)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C){1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[5a,6]C[6a])(N[6a]C[6a])(C[6]C[6]O){1|N<3>,1|O<1>,4|C<3>}	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(COO){3|C<3>}	117.3450	0.000	1	117.3450	0.000	1	117.5980	0.353	4	117.9113	0.751	18	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:2:3:	2:3:3:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6a]-2:C[6]-3:	N[6a]-2:C[6a]-3:C-3:	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(C[6]C[6]H)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(CNS)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C){1|C<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(C[6]C[6]H){2|H<1>,3|C<3>}	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(CNS){1|H<1>,2|C<3>}	118.4860	0.000	1	118.4860	0.000	1	117.5980	0.353	4	117.9113	0.751	18	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:2:3:	2:3:3:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6a]-2:C[6]-3:	N[6a]-2:C[6a]-3:C-3:	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(C[6]C[6]N)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(CNO)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(C[6]C[6]N){1|Cl<1>,1|O<1>,4|C<3>}	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(CNO){3|C<3>}	117.2390	0.000	1	117.2390	0.000	1	117.5980	0.353	4	117.9113	0.751	18	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:2:3:	2:3:3:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6a]-2:C[6]-3:	N[6a]-2:C[6a]-3:C-3:	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(C[6]C[6]O)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(COO)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C){1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(C[6]C[6]O){1|O<1>,1|O<2>,4|C<3>}	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(COO){3|C<3>}	117.3220	0.000	1	117.3220	0.000	1	117.5980	0.353	4	117.9113	0.751	18	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:2:3:	2:3:3:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6a]-2:C[6]-3:	N[6a]-2:C[6a]-3:C[6a]-3:	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(C[6]C[6]C)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2){1|H<1>,2|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(C[6]C[6]C){1|C<4>,3|C<3>,4|H<1>}	C[6a](N[6a]C[6,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,5|C<3>}	119.1495	0.337	2	119.1495	0.114	2	118.3971	0.269	10	117.9113	0.751	18	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:2:3:	2:3:3:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6a]-2:C[6]-3:	N[6a]-2:C[6a]-3:C[6a]-3:	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)	C[6,6a](C[6,6a]N[6a]N[6])(N[6a]C[6a])(C[6]N[6]N)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]2)(C[6a]N[6a]N)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2){2|C<3>,2|N<2>,3|N<3>}	C[6,6a](C[6,6a]N[6a]N[6])(N[6a]C[6a])(C[6]N[6]N){1|H<1>,3|C<3>}	C[6a](N[6a]C[6,6a])(C[6a]C[6a]2)(C[6a]N[6a]N){2|H<1>,4|C<3>}	118.2090	0.358	8	118.2090	0.128	8	118.3971	0.269	10	117.9113	0.751	18	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:2:3:	2:3:3:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6a]-2:N[6]-3:	N[6a]-2:C[6a]-3:C-3:	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]H)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(CCH)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]H){2|H<1>,4|C<3>}	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(CCH){1|C<3>,1|H<1>,1|N<3>}	116.5440	0.000	1	116.5440	0.000	1	116.5440	0.000	1	117.9113	0.751	18	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:2:3:	2:3:3:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6a]-2:N[6]-3:	N[6a]-2:C[6a]-3:C[6a]-3:	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]S)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]2){1|H<1>,1|S<4>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]S){1|C<4>,3|C<3>,4|H<1>}	C[6a](N[6a]C[6,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	118.5600	0.000	1	118.5600	0.000	1	118.5600	0.000	1	117.9113	0.751	18	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:2:3:	2:3:3:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6a]-2:N[6]-3:	N[6a]-2:C[6a]-3:N-3:	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]H)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(NCH)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|N<3>}	116.6690	0.000	1	116.6690	0.000	1	116.6690	0.000	1	117.9113	0.751	18	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:2:3:	2:3:3:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6a]-2:N[6]-3:	N[6a]-2:N[6a]-3:N-3:	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]N)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]H)	C[6a](N[6a]C[6,6a])(N[6a]C[6a]H)(NHH)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]N){1|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>,2|N<3>}	C[6a](N[6a]C[6,6a])(N[6a]C[6a]H)(NHH){1|C<3>,1|N<3>,1|O<1>}	116.2680	0.000	1	116.2680	0.000	1	116.2680	0.000	1	117.9113	0.751	18	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:2:3:	2:3:4:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6a]-2:C[6]-3:	N[6a]-2:C[6a]-3:C-4:	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)	C[6,6a](C[6,6a]C[6,6]C[6a])(N[6a]C[6a])(C[6]C[6]H)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(N[6a]C[6a])(C[6]C[6]H){2|C<3>,2|C<4>,3|H<1>}	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(CH3){1|H<1>,2|C<3>}	117.5260	0.000	1	117.5260	0.000	1	117.9590	0.375	2	117.8768	0.320	12	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:2:3:	2:3:4:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6a]-2:C[6]-3:	N[6a]-2:C[6a]-3:C-4:	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(C[6]C[6]O)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C){1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(C[6]C[6]O){1|C<4>,2|H<1>,3|C<3>}	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(CH3){1|H<1>,2|C<3>}	118.3920	0.000	1	118.3920	0.000	1	117.9590	0.375	2	117.8768	0.320	12	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:2:3:	2:3:4:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6a]-2:C[6]-3:	N[6a]-2:N[6a]-3:C-4:	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]N[6a]C)	C[6,6a](C[6,6a]C[6a]O[6])(N[6a]C[6a])(C[6]O[6]N)	C[6a](N[6a]C[6,6a])(N[6a]C[6a]C)(CCCN)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]N[6a]C){1|C<3>,1|C<4>,1|N<2>,2|O<2>}	C[6,6a](C[6,6a]C[6a]O[6])(N[6a]C[6a])(C[6]O[6]N){1|N<3>,1|O<1>,2|C<4>}	C[6a](N[6a]C[6,6a])(N[6a]C[6a]C)(CCCN){1|O<1>,2|C<3>}	119.2340	0.000	1	119.2340	0.000	1	119.2340	0.000	1	117.8768	0.320	12	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:2:3:	2:3:4:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6a]-2:N[6]-3:	N[6a]-2:C[6a]-3:C-4:	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]C)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]C){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,1|N<3>}	117.6045	0.191	4	117.7877	0.110	7	117.7077	0.128	9	117.8768	0.320	12	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:2:3:	2:3:4:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6a]-2:N[6]-3:	N[6a]-2:C[6a]-3:C-4:	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]C)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]C){1|C<4>,1|S<1>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,1|N<3>}	117.8340	0.013	2	117.7877	0.110	7	117.7077	0.128	9	117.8768	0.320	12	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:2:3:	2:3:4:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6a]-2:N[6]-3:	N[6a]-2:C[6a]-3:C-4:	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]C)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]C){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,1|N<3>}	118.4280	0.000	1	117.7877	0.110	7	117.7077	0.128	9	117.8768	0.320	12	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:2:3:	2:3:4:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6a]-2:N[6]-3:	N[6a]-2:C[6a]-3:C-4:	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]H)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|N<3>}	117.1380	0.000	1	117.1380	0.000	1	117.7077	0.128	9	117.8768	0.320	12	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:2:3:	2:3:4:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6a]-2:N[6]-3:	N[6a]-2:C[6a]-3:C-4:	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]W)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C){1|H<1>,1|W<6>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]W){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|N<3>}	117.7170	0.000	1	117.7170	0.000	1	117.7077	0.128	9	117.8768	0.320	12	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6a]-2:N[6]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]H)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6,6a])(H)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]H){1|N<2>,1|S<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(N[6a]C[6,6a])(H){1|C<3>,1|H<1>,1|N<3>}	117.8330	0.000	1	117.8330	0.000	1	117.8330	0.000	1	117.3460	0.474	2	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6,6a]-3:C[6a]-3:	N[6,6a]-3:N[6a]-2:C[6]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6,6a]N[6,6a]C[6])(C[6a]C[6a]H)	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a])(C[6]C[6]C)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6,6a])(H)	N[6a](C[6,6a]N[6,6a]C[6])(C[6a]C[6a]H){1|C<4>,4|C<3>}	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a])(C[6]C[6]C){1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(N[6a]C[6,6a])(H){1|C<3>,1|N<2>,1|O<2>,2|N<3>}	116.8590	0.000	1	116.8590	0.000	1	116.8590	0.000	1	117.3460	0.474	2	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:2:3:	3:2:2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6a]-2:N[6]-3:	C[6a,6a]-3:N[6a]-2:O-2:	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a,6a]O)	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(N[6a]C[6a])(N[6]C[6]S)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6,6a])(OC)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a,6a]O){1|C<4>,1|S<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(N[6a]C[6a])(N[6]C[6]S){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6,6a])(OC){1|H<1>,1|N<3>,3|C<3>}	117.2410	0.000	1	117.2410	0.000	1	117.2410	0.000	1	117.2410	0.000	1	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:2:3:	3:2:3:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6]-3:N[6a]-2:C[6a]-3:	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C[6])	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C[6]){1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6]C[6]N[6])(N[6a]C[6,6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	118.1890	0.000	1	118.1890	0.000	1	118.1890	0.000	1	116.5415	0.528	10	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:2:3:	3:2:3:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(C[6]C[6]H)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2){1|N<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6,6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	117.4280	0.000	1	117.4280	0.000	1	117.4280	0.000	1	116.5415	0.528	10	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:2:3:	3:2:3:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6a]-2:N[6]-3:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)	C[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6a])(N[6]C[6]H)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6,6a])(NHH)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N){1|H<1>,1|N<2>,3|C<3>}	C[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6a])(N[6]C[6]H){1|C<3>,1|N<2>,3|N<3>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6,6a])(NHH){1|N<3>,3|C<3>}	116.2248	0.253	8	116.2248	0.064	8	116.2248	0.064	8	116.5415	0.528	10	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:3:2:	2:2:1:	C[6,6a]-3:C[6a]-3:	C[5a,6,6a]-3:N[5,6]-3:N[6a]-2:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6,6a]C[5a,6,6a]N[5,6])(C[6a]N[6a]H)	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(N[5,6]C[5,6]C[5])(N[6a]C[6a])	C[6a](N[6a]C[5a,6a])(N[6a]C[6,6a])(H)	N[6a](C[6,6a]C[5a,6,6a]N[5,6])(C[6a]N[6a]H){1|N<3>,3|C<3>}	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(N[5,6]C[5,6]C[5])(N[6a]C[6a]){1|B<4>,1|N<3>,2|C<3>,2|H<1>,2|N<2>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6,6a])(H){1|C<3>,1|N<2>,1|N<3>}	115.2650	0.000	1	115.2650	0.000	1	115.2650	0.000	1	115.6505	0.093	4	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:3:2:	2:2:1:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6,6a]C[6,6a]2)(C[6a]N[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a])	C[6a](N[6a]C[6,6a])(N[6a]C[6a])(H)	N[6a](C[6,6a]C[6,6a]2)(C[6a]N[6a]H){1|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a]){1|C<4>,1|N<2>,2|C<3>,5|H<1>}	C[6a](N[6a]C[6,6a])(N[6a]C[6a])(H){1|H<1>,2|C<3>}	115.6750	0.130	2	115.6750	0.017	2	115.6750	0.017	2	115.6505	0.093	4	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:3:2:	2:2:1:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:N[6a]-2:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]H)	C[6,6a](C[6,6a]N[5a,6]C[6a])(N[6]C[6a]C[6])(N[6a]C[6a])	C[6a](N[6a]C[6,6a])(N[6a]C[6a])(H)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]H){1|C<4>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]N[5a,6]C[6a])(N[6]C[6a]C[6])(N[6a]C[6a]){1|Cl<1>,1|C<4>,1|N<2>,2|H<1>,4|C<3>}	C[6a](N[6a]C[6,6a])(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|N<3>}	115.9870	0.000	1	115.9870	0.000	1	115.9870	0.000	1	115.6505	0.093	4	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:3:2:	2:2:2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:O-2:	N[6a](C[6,6a]C[6,6a]2)(C[6a]N[6a]O)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a])	C[6a](N[6a]C[6,6a])(N[6a]C[6a])(OC)	N[6a](C[6,6a]C[6,6a]2)(C[6a]N[6a]O){4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a]){1|N<2>,2|H<1>,2|O<2>,3|C<3>}	C[6a](N[6a]C[6,6a])(N[6a]C[6a])(OC){1|H<1>,2|C<3>}	115.8070	0.000	1	115.8070	0.000	1	115.8070	0.000	1	115.8070	0.000	1	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:3:2:	2:2:3:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6,6a]C[6,6a]2)(C[6a]N[6a]N)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a])	C[6a](N[6a]C[6,6a])(N[6a]C[6a])(NHH)	N[6a](C[6,6a]C[6,6a]2)(C[6a]N[6a]N){1|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,3|C<3>,3|H<1>}	C[6a](N[6a]C[6,6a])(N[6a]C[6a])(NHH){3|C<3>}	115.7330	0.000	1	115.7330	0.000	1	115.7330	0.000	1	115.6225	0.024	2	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:3:2:	2:2:3:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:N[6a]-2:	N[6a]-2:N[6a]-2:N[5]-3:	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]N[5])	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6a]N[6])(N[6a]C[6a])	C[6a](N[6a]C[6,6a])(N[6a]C[6a])(N[5]C[5]2)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]N[5]){1|N<2>,1|S<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6a]N[6])(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,3|C<3>}	C[6a](N[6a]C[6,6a])(N[6a]C[6a])(N[5]C[5]2){1|C<3>,1|N<3>,3|C<4>,4|H<1>}	115.5120	0.000	1	115.5120	0.000	1	115.5120	0.000	1	115.6225	0.024	2	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]C[6])(N[6a]C[6a])	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H)	N[6a](C[6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]C[6])(N[6a]C[6a]){1|C<4>,1|N<2>,2|C<3>,5|H<1>}	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	116.8990	0.000	1	116.8990	0.000	1	116.8990	0.000	1	117.0840	1.166	80	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6,6a]-3:C[6a]-3:	C[6,6]-3:C[6,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)	C[6,6a](C[6,6]C[6,6]N[6])(C[6,6a]C[6a]C[6])(N[6a]C[6a])	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H)	N[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6]C[6,6]N[6])(C[6,6a]C[6a]C[6])(N[6a]C[6a]){1|O<1>,3|H<1>,4|C<3>}	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	116.6020	0.155	5	116.6020	0.024	5	116.8514	0.252	7	117.0840	1.166	80	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6,6a]-3:C[6a]-3:	C[6,6]-3:C[6,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)	C[6,6a](C[6,6]N[6,6]C[6])(C[6,6a]C[6a]C[6])(N[6a]C[6a])	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H)	N[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6,6a](C[6,6]N[6,6]C[6])(C[6,6a]C[6a]C[6])(N[6a]C[6a]){1|B<4>,3|C<3>,5|H<1>}	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	117.0690	0.000	1	117.0690	0.000	1	116.8514	0.252	7	117.0840	1.166	80	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6,6a]-3:C[6a]-3:	C[6,6]-3:C[6,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)	C[6,6a](C[6,6]N[6,6]C[6])(C[6,6a]C[6a]N[6])(N[6a]C[6a])	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H)	N[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H){1|H<1>,2|C<3>,2|N<3>}	C[6,6a](C[6,6]N[6,6]C[6])(C[6,6a]C[6a]N[6])(N[6a]C[6a]){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	117.8810	0.000	1	117.8810	0.000	1	116.8514	0.252	7	117.0840	1.166	80	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6,6]C[6,6]N[6])(N[6a]C[6a])	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H)	N[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6,6]C[6,6]N[6])(N[6a]C[6a]){1|C<4>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	117.2560	0.000	1	117.2560	0.000	1	117.4430	0.070	2	117.0840	1.166	80	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6,6]N[6,6]C[6])(N[6a]C[6a])	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H)	N[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6,6]N[6,6]C[6])(N[6a]C[6a]){1|B<4>,3|H<1>,5|C<3>}	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	117.6300	0.000	1	117.6300	0.000	1	117.4430	0.070	2	117.0840	1.166	80	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6,6a]C[6,6a]N[6a])(N[6a]C[6a])	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H)	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6,6a]C[6,6a]N[6a])(N[6a]C[6a]){1|C<4>,2|H<1>,2|N<3>,3|C<3>}	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	117.8295	0.225	4	117.8295	0.051	4	117.3823	0.425	35	117.0840	1.166	80	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6,6a]C[6,6a]N[6a])(N[6a]C[6a])	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H)	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6,6a]C[6,6a]N[6a])(N[6a]C[6a]){2|H<1>,2|N<3>,4|C<3>}	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	117.1710	0.000	1	117.1710	0.000	1	117.3823	0.425	35	117.0840	1.166	80	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a])	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H)	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a]){1|O<1>,3|H<1>,4|C<3>}	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	117.2040	0.000	1	117.2040	0.000	1	117.3823	0.425	35	117.0840	1.166	80	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a])	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H)	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a]){1|O<1>,2|H<1>,4|C<3>}	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	117.0590	0.000	1	117.0590	0.000	1	117.3823	0.425	35	117.0840	1.166	80	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a])	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H)	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a]){1|C<4>,4|C<3>,4|H<1>}	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H){3|C<3>}	117.0270	0.000	1	117.0270	0.000	1	117.3823	0.425	35	117.0840	1.166	80	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]N[6])(N[6a]C[6a])	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H)	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]N[6])(N[6a]C[6a]){1|C<4>,3|H<1>,4|C<3>}	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	116.3100	0.000	1	115.6180	0.958	2	117.3823	0.425	35	117.0840	1.166	80	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]N[6])(N[6a]C[6a])	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H)	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]N[6])(N[6a]C[6a]){4|C<3>,4|H<1>}	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	114.9260	0.000	1	115.6180	0.958	2	117.3823	0.425	35	117.0840	1.166	80	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]S[6])(N[6a]C[6a])	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H)	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H){1|H<1>,1|S<4>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]S[6])(N[6a]C[6a]){1|N<2>,1|N<3>,2|C<3>,2|O<1>,3|H<1>}	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	117.5350	0.000	1	117.5350	0.000	1	117.3823	0.425	35	117.0840	1.166	80	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6,6]C[6a])(N[6a]C[6a])	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H)	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6,6]C[6a])(N[6a]C[6a]){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	116.9900	0.000	1	116.9900	0.000	1	117.3823	0.425	35	117.0840	1.166	80	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a])	C[6a](N[6a]C[6,6a])(C[6a]C[6a]2)(H)	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H){1|N<2>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a]){1|O<1>,2|H<1>,4|C<3>}	C[6a](N[6a]C[6,6a])(C[6a]C[6a]2)(H){1|H<1>,4|C<3>}	117.9400	0.180	2	117.9400	0.032	2	117.3823	0.425	35	117.0840	1.166	80	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a])	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H)	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a]){1|N<2>,2|H<1>,4|C<3>}	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	118.1045	0.633	2	117.4744	0.250	21	117.3823	0.425	35	117.0840	1.166	80	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a])	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H)	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a]){1|O<1>,2|H<1>,4|C<3>}	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	117.3272	0.407	17	117.4744	0.250	21	117.3823	0.425	35	117.0840	1.166	80	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a])	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H)	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a]){1|O<2>,2|H<1>,4|C<3>}	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	118.0955	0.070	2	117.4744	0.250	21	117.3823	0.425	35	117.0840	1.166	80	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(N[6a]C[6a])	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H){1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(N[6a]C[6a]){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	116.9840	0.000	1	116.9840	0.000	1	115.9499	1.499	9	117.0840	1.166	80	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]H)(N[6a]C[6a])	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]H)(N[6a]C[6a]){1|C<4>,2|C<3>,4|H<1>}	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	116.8990	0.000	1	116.8990	0.000	1	115.9499	1.499	9	117.0840	1.166	80	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(N[6a]C[6a])	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H){1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(N[6a]C[6a]){1|H<1>,1|O<1>,4|C<3>}	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H){3|C<3>}	116.6380	0.000	1	116.3250	0.196	2	115.9499	1.499	9	117.0840	1.166	80	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(N[6a]C[6a])	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H){1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(N[6a]C[6a]){1|O<1>,2|H<1>,3|C<3>}	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	116.0120	0.000	1	116.3250	0.196	2	115.9499	1.499	9	117.0840	1.166	80	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(N[6a]C[6a])	C[6a](N[6a]C[6,6a])(C[6a]C[6a]I)(H)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H){1|I<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(N[6a]C[6a]){1|H<1>,1|O<1>,4|C<3>}	C[6a](N[6a]C[6,6a])(C[6a]C[6a]I)(H){3|C<3>}	116.8360	0.000	1	116.8360	0.000	1	115.9499	1.499	9	117.0840	1.166	80	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6]N[6])(N[6a]C[6a])	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6]N[6])(N[6a]C[6a]){1|Co<6>,1|N<3>,2|H<1>,3|C<3>}	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	113.1150	0.000	1	114.1125	1.990	2	115.9499	1.499	9	117.0840	1.166	80	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6]N[6])(N[6a]C[6a])	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H){1|H<1>,2|C<3>,2|N<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6]N[6])(N[6a]C[6a]){1|Pt<4>,1|O<2>,2|H<1>,4|C<3>}	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>}	115.1100	0.000	1	114.1125	1.990	2	115.9499	1.499	9	117.0840	1.166	80	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5a]C[6])(N[6a]C[6a])	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H){1|H<1>,2|C<3>,2|N<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5a]C[6])(N[6a]C[6a]){1|Pt<4>,1|O<2>,2|H<1>,4|C<3>}	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>}	115.9775	0.134	2	115.9775	0.018	2	115.9499	1.499	9	117.0840	1.166	80	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(N[6a]C[6a])	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H)	N[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(N[6a]C[6a]){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	116.3430	0.000	1	116.2300	0.026	2	116.2300	0.026	2	117.0840	1.166	80	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(N[6a]C[6a])	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H)	N[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(N[6a]C[6a]){1|N<3>,3|C<3>,4|H<1>}	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	116.1170	0.000	1	116.2300	0.026	2	116.2300	0.026	2	117.0840	1.166	80	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[5,6]H)(N[6a]C[6a])	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[5,6]H)(N[6a]C[6a]){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	116.6040	0.000	2	116.6040	0.000	2	117.3510	2.117	21	117.0840	1.166	80	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6]C[3])(N[6a]C[6a])	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6]C[3])(N[6a]C[6a]){1|O<1>,2|C<3>,2|C<4>,2|N<3>,3|H<1>}	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	116.1240	0.000	1	116.1240	0.000	1	117.3510	2.117	21	117.0840	1.166	80	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6]Ir)(N[6a]C[6a])	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H){1|Ir<6>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6]Ir)(N[6a]C[6a]){3|C<3>,3|H<1>}	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	118.0145	0.309	2	117.1903	0.436	6	117.3510	2.117	21	117.0840	1.166	80	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6]Ir)(N[6a]C[6a])	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H){1|Ir<7>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6]Ir)(N[6a]C[6a]){3|C<3>,3|H<1>}	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	116.7480	0.123	2	117.1903	0.436	6	117.3510	2.117	21	117.0840	1.166	80	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6]Ir)(N[6a]C[6a])	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H){1|Ir<8>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6]Ir)(N[6a]C[6a]){3|C<3>,3|H<1>}	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	116.8085	0.170	2	117.1903	0.436	6	117.3510	2.117	21	117.0840	1.166	80	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6]Pd)(N[6a]C[6a])	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H){1|Pd<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6]Pd)(N[6a]C[6a]){3|C<3>,3|H<1>}	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	117.1130	0.000	1	117.1130	0.000	1	117.3510	2.117	21	117.0840	1.166	80	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6]Pt)(N[6a]C[6a])	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H){1|Pt<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6]Pt)(N[6a]C[6a]){2|C<3>,4|H<1>}	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	122.8620	0.000	1	122.8620	0.000	1	117.3510	2.117	21	117.0840	1.166	80	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6]Ru)(N[6a]C[6a])	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H){1|Ru<6>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6]Ru)(N[6a]C[6a]){3|C<3>,3|H<1>}	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	116.9870	0.537	6	116.9870	0.289	6	117.3510	2.117	21	117.0840	1.166	80	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]H)(N[6a]C[6a]){1|N<2>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	117.6015	0.545	2	117.6015	0.297	2	117.3510	2.117	21	117.0840	1.166	80	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(N[6a]C[6a])	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(N[6a]C[6a]){2|H<1>,3|C<3>}	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	118.8610	0.000	1	118.8610	0.000	1	117.3510	2.117	21	117.0840	1.166	80	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6a]N[6])(N[6]C[6,6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6,6a])(C[6a]N[6a]H)(H)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6,6a](C[6,6a]N[6a]N[6])(N[6]C[6,6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	C[6a](N[6a]C[6,6a])(C[6a]N[6a]H)(H){1|C<3>,1|N<3>}	115.9350	0.000	1	115.9350	0.000	1	117.3510	2.117	21	117.0840	1.166	80	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6,6a]-3:C[6a]-3:	N[5a,6]-3:C[6,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]C[6])(N[6a]C[6a])	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H)	N[6a](C[6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]C[6])(N[6a]C[6a]){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	115.8900	0.000	1	115.8305	0.007	2	115.8305	0.007	2	117.0840	1.166	80	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6,6a]-3:C[6a]-3:	N[5a,6]-3:C[6,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]C[6])(N[6a]C[6a])	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H)	N[6a](C[6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]C[6])(N[6a]C[6a]){1|I<1>,1|N<3>,3|C<3>,3|H<1>}	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	115.7710	0.000	1	115.8305	0.007	2	115.8305	0.007	2	117.0840	1.166	80	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6,6a]-3:C[6a]-3:	N[6,6a]-3:C[6,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6,6a]C[6,6a]N[6,6a])(C[6a]C[6a]H)	C[6,6a](N[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a])	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H)	N[6a](C[6,6a]C[6,6a]N[6,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6,6a](N[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a]){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	116.5500	0.000	1	116.5500	0.000	1	116.5500	0.000	1	117.0840	1.166	80	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:3:2:	2:3:2:	C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:O-2:	N[6a](C[6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]O)	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]C[6])(N[6a]C[6a])	C[6a](N[6a]C[6,6a])(C[6a]C[6a]C)(OC)	N[6a](C[6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]O){1|C<2>,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]C[6])(N[6a]C[6a]){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6a](N[6a]C[6,6a])(C[6a]C[6a]C)(OC){3|C<3>}	116.8314	0.361	9	116.8314	0.130	9	116.8314	0.130	9	116.6101	0.586	25	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:3:2:	2:3:2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:N[6a]-2:	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]N[6a])	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a])	C[6a](N[6a]C[6,6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]N[6a]){1|C<4>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a]){1|N<2>,2|C<4>,3|C<3>,3|H<1>}	C[6a](N[6a]C[6,6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	117.1310	0.000	1	117.1310	0.000	1	117.1310	0.000	1	116.6101	0.586	25	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:3:2:	2:3:2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:O-2:	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a])	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(OC)	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]O){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a]){1|C<4>,1|N<2>,1|O<2>,2|H<1>,4|C<3>}	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(OC){3|C<3>}	117.3565	0.011	2	117.3565	0.000	2	117.3565	0.000	2	116.6101	0.586	25	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:3:2:	2:3:2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:N[6a]-2:	N[6a]-2:C[6a]-3:O-2:	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]Cl)(N[6a]C[6a])	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(OC)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]Cl)(N[6a]C[6a]){1|O<2>,2|H<1>,3|C<3>}	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	117.1605	0.862	2	117.1605	0.743	2	117.1605	0.743	2	116.6101	0.586	25	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:3:2:	2:3:2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-2:	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)	C[6,6a](C[6,6a]N[6a]N[6])(N[6]C[6,6a]C)(N[6a]C[6a])	C[6a](N[6a]C[6,6a])(C[6a]N[6a]C)(CN)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C){1|C<2>,1|C<3>,1|C<4>,1|N<2>,1|N<3>}	C[6,6a](C[6,6a]N[6a]N[6])(N[6]C[6,6a]C)(N[6a]C[6a]){1|C<2>,1|C<4>,3|C<3>}	C[6a](N[6a]C[6,6a])(C[6a]N[6a]C)(CN){1|C<3>,1|N<3>}	117.0685	0.006	2	117.0685	0.000	2	117.0685	0.000	2	116.6101	0.586	25	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:3:2:	2:3:2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:N[6a]-2:	N[6a]-2:C[6a]-3:O-2:	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6]Pt)(N[6a]C[6a])	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(OP)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O){1|Pt<6>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6]Pt)(N[6a]C[6a]){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(OP){1|C<3>,1|H<1>,1|N<3>}	116.3900	0.000	1	116.3900	0.000	1	116.9925	0.726	2	116.6101	0.586	25	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:3:2:	2:3:2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:N[6a]-2:	N[6a]-2:C[6a]-3:O-2:	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6]Ru)(N[6a]C[6a])	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(ORu)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O){1|Ru<5>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6]Ru)(N[6a]C[6a]){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(ORu){1|C<3>,1|H<1>,1|N<3>}	117.5950	0.000	1	117.5950	0.000	1	116.9925	0.726	2	116.6101	0.586	25	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:3:2:	2:3:2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:N[6a]-2:	N[6a]-2:N[6a]-3:O-2:	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[5,6]H)(N[6a]C[6a])	C[6a](N[6a]C[6,6a])(N[6a]C[6a]H)(OC)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O){1|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[5,6]H)(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|O<2>}	C[6a](N[6a]C[6,6a])(N[6a]C[6a]H)(OC){1|C<3>,1|N<3>,1|O<1>}	115.3300	0.000	1	115.3300	0.000	1	115.8857	0.240	3	116.6101	0.586	25	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:3:2:	2:3:2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:N[6a]-2:	N[6a]-2:N[6a]-3:O-2:	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6]H)(N[6a]C[6a])	C[6a](N[6a]C[6,6a])(N[6a]C[6a]C)(OC)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6]H)(N[6a]C[6a]){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|O<2>}	C[6a](N[6a]C[6,6a])(N[6a]C[6a]C)(OC){1|C<3>,1|N<3>,1|O<1>}	116.1635	0.132	2	116.1635	0.017	2	115.8857	0.240	3	116.6101	0.586	25	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:3:2:	2:3:2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:N[6a]-2:	N[6a]-2:N[6a]-3:S-2:	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]S)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6]H)(N[6a]C[6a])	C[6a](N[6a]C[6,6a])(N[6a]C[6a]C)(SC)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]S){1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6]H)(N[6a]C[6a]){1|H<1>,1|N<3>,1|O<1>,1|S<2>,3|C<3>}	C[6a](N[6a]C[6,6a])(N[6a]C[6a]C)(SC){1|C<3>,1|N<3>,1|O<1>}	116.3070	0.000	1	116.3070	0.000	1	115.4565	0.346	4	116.6101	0.586	25	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:3:2:	2:3:2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:N[6a]-2:	N[6a]-2:N[6a]-3:S-2:	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]S)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6]H)(N[6a]C[6a])	C[6a](N[6a]C[6,6a])(N[6a]C[6a]H)(SC)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]S){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6]H)(N[6a]C[6a]){1|H<1>,1|N<3>,1|O<1>,1|S<2>,3|C<3>}	C[6a](N[6a]C[6,6a])(N[6a]C[6a]H)(SC){1|C<3>,1|N<3>,1|O<1>}	115.1730	0.193	3	115.1730	0.037	3	115.4565	0.346	4	116.6101	0.586	25	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:N-3:	N[6a](C[6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]N)	C[6,6a](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]C[6])(N[6a]C[6a])	C[6a](N[6a]C[6,6a])(C[6a]C[6a]C)(NHH)	N[6a](C[6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]N){1|C<2>,1|C<4>,3|C<3>}	C[6,6a](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]C[6])(N[6a]C[6a]){1|C<4>,1|N<2>,2|C<3>,2|N<3>,3|H<1>}	C[6a](N[6a]C[6,6a])(C[6a]C[6a]C)(NHH){3|C<3>}	117.3485	0.589	2	117.3485	0.347	2	117.3485	0.347	2	117.5879	0.558	29	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-3:	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]C)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a])	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(COO)	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]C){1|H<1>,1|N<2>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a]){1|H<1>,1|O<1>,5|C<3>}	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(COO){1|H<1>,2|C<3>}	117.7235	0.419	2	117.7235	0.176	2	117.7235	0.176	2	117.5879	0.558	29	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C[6a]-3:	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a])	C[6a](N[6a]C[6,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]2){1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a]){1|C<4>,3|H<1>,5|C<3>}	C[6a](N[6a]C[6,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,5|C<3>}	118.0795	0.217	2	118.0795	0.047	2	118.0795	0.047	2	117.5879	0.558	29	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:N-3:	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]N)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a])	C[6a](N[6a]C[6,6a])(C[6a]C[6a]C)(NHH)	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]N){1|C<2>,1|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a]){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[6a](N[6a]C[6,6a])(C[6a]C[6a]C)(NHH){3|C<3>}	118.9890	0.000	1	118.9890	0.000	1	118.9890	0.000	1	117.5879	0.558	29	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6,6]-3:N[6a]-2:	N[6a]-2:C[6a]-3:N-3:	N[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]N)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]B[6])(N[6a]C[6a])	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(NCH)	N[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]N){1|B<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]B[6])(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|F<1>,3|C<3>}	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|N<3>}	117.8323	0.226	8	117.8323	0.051	8	117.9283	0.041	14	117.5879	0.558	29	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6,6]-3:N[6a]-2:	N[6a]-2:C[6a]-3:N-3:	N[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]N)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]B[6])(N[6a]C[6a])	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(NHH)	N[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]N){1|B<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]B[6])(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|F<1>,3|C<3>}	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(NHH){1|C<3>,1|H<1>,1|N<3>}	118.0563	0.024	6	118.0563	0.001	6	117.9283	0.041	14	117.5879	0.558	29	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-3:	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6]Ir)(N[6a]C[6a])	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(CHN)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C){1|Ir<7>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6]Ir)(N[6a]C[6a]){3|C<3>,3|H<1>}	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(CHN){1|C<3>,1|H<1>,1|N<3>}	117.5900	0.000	1	117.5900	0.000	1	117.2470	0.235	2	117.5879	0.558	29	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-3:	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6]Ru)(N[6a]C[6a])	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(COO)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C){1|Ru<9>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6]Ru)(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(COO){1|C<3>,1|H<1>,1|N<3>}	116.9040	0.000	1	116.9040	0.000	1	117.2470	0.235	2	117.5879	0.558	29	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:N[6a]-2:	N[6a]-2:C[6a]-3:N[5]-3:	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N[5])	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6]Rh)(N[6a]C[6a])	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(N[5]C[5]2)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N[5]){1|Rh<6>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6]Rh)(N[6a]C[6a]){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(N[5]C[5]2){1|Rh<6>,2|C<3>,2|H<1>,2|N<3>}	117.8370	0.000	1	117.8370	0.000	1	117.8370	0.000	1	117.5879	0.558	29	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:N[6a]-2:	N[6a]-2:N[6a]-3:N-3:	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]N)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(N[6a]C[6a])	C[6a](N[6a]C[6,6a])(N[6a]C[6a]H)(NHH)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]N){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(N[6a]C[6a]){1|H<1>,1|O<1>,2|C<3>,2|N<3>}	C[6a](N[6a]C[6,6a])(N[6a]C[6a]H)(NHH){1|C<3>,1|N<3>,1|O<1>}	116.6930	0.000	1	116.6930	0.000	1	116.2858	0.325	5	117.5879	0.558	29	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:N[6a]-2:	N[6a]-2:N[6a]-3:N-3:	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]N)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6]C)(N[6a]C[6a])	C[6a](N[6a]C[6,6a])(N[6a]C[6a]H)(NCC)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]N){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6]C)(N[6a]C[6a]){1|C<4>,1|O<1>,1|O<2>,2|H<1>,2|N<3>}	C[6a](N[6a]C[6,6a])(N[6a]C[6a]H)(NCC){1|C<3>,1|N<3>,1|O<1>}	116.3350	0.000	1	116.3350	0.000	1	116.2858	0.325	5	117.5879	0.558	29	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:N[6a]-2:	N[6a]-2:N[6a]-3:N-3:	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]N)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6]H)(N[6a]C[6a])	C[6a](N[6a]C[6,6a])(N[6a]C[6a]H)(NCH)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]N){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6]H)(N[6a]C[6a]){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|N<3>}	C[6a](N[6a]C[6,6a])(N[6a]C[6a]H)(NCH){1|C<3>,1|N<3>,1|O<1>}	115.9005	0.859	2	115.9005	0.738	2	116.2858	0.325	5	117.5879	0.558	29	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:N[6a]-2:	N[6a]-2:N[6a]-3:N-3:	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]N)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6]H)(N[6a]C[6a])	C[6a](N[6a]C[6,6a])(N[6a]C[6a]H)(NHH)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]N){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6]H)(N[6a]C[6a]){1|C<4>,1|O<1>,1|O<2>,2|H<1>,2|N<3>}	C[6a](N[6a]C[6,6a])(N[6a]C[6a]H)(NHH){1|C<3>,1|N<3>,1|O<1>}	116.6000	0.000	1	116.6000	0.000	1	116.2858	0.325	5	117.5879	0.558	29	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:3:2:	2:3:4:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-4:	N[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]C)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]B[5])(N[6a]C[6a])	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]C){1|B<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]B[5])(N[6a]C[6a]){1|H<1>,2|C<3>,2|C<4>,2|F<1>,2|N<3>}	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|N<3>}	116.2850	0.000	1	116.2850	0.000	1	116.4184	0.198	5	116.9354	1.161	15	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:3:2:	2:3:4:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-4:	N[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]C)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(N[6a]C[6a])	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(CF3)	N[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(N[6a]C[6a]){1|N<2>,2|C<3>,3|C<4>,3|H<1>}	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(CF3){1|C<3>,1|C<4>,1|N<3>}	116.1465	0.250	2	116.1465	0.062	2	116.4184	0.198	5	116.9354	1.161	15	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:3:2:	2:3:4:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-4:	N[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]C)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(N[6a]C[6a])	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]C){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(N[6a]C[6a]){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|N<3>}	116.7570	0.580	2	116.7570	0.336	2	116.4184	0.198	5	116.9354	1.161	15	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:3:2:	2:3:4:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6,6]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-4:	N[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]C)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]B[6])(N[6a]C[6a])	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(CBr2H)	N[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]C){1|B<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]B[6])(N[6a]C[6a]){1|H<1>,1|N<2>,1|O<2>,2|C<3>,2|C<4>,2|F<1>}	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(CBr2H){1|C<3>,1|C<4>,1|N<3>}	116.8760	0.000	1	116.8760	0.000	1	117.1687	0.030	7	116.9354	1.161	15	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:3:2:	2:3:4:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6,6]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-4:	N[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]C)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]B[6])(N[6a]C[6a])	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(CF3)	N[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]C){1|B<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]B[6])(N[6a]C[6a]){1|H<1>,1|N<2>,1|O<2>,2|C<3>,2|C<4>,2|F<1>}	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(CF3){1|C<3>,1|C<4>,1|N<3>}	117.2910	0.000	1	117.2910	0.000	1	117.1687	0.030	7	116.9354	1.161	15	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:3:2:	2:3:4:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6,6]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-4:	N[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]C)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]B[6])(N[6a]C[6a])	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]C){1|B<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]B[6])(N[6a]C[6a]){1|H<1>,1|N<2>,1|O<2>,2|C<3>,2|C<4>,2|F<1>}	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|N<3>}	117.2580	0.064	4	117.2580	0.004	4	117.1687	0.030	7	116.9354	1.161	15	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:3:2:	2:3:4:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6,6]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-4:	N[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]C)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(N[6a]C[6a])	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(CF3)	N[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(N[6a]C[6a]){1|N<2>,2|C<3>,3|C<4>,3|H<1>}	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(CF3){1|C<3>,1|C<4>,1|N<3>}	116.9820	0.000	1	116.9820	0.000	1	117.1687	0.030	7	116.9354	1.161	15	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:3:2:	2:3:4:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-4:	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6]Cu)(N[6a]C[6a])	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C){1|Cu<3>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6]Cu)(N[6a]C[6a]){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|N<3>}	114.3690	0.000	1	114.3690	0.000	1	117.2527	6.633	3	116.9354	1.161	15	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:3:2:	2:3:4:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-4:	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6]Ru)(N[6a]C[6a])	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C){1|Ru<5>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6]Ru)(N[6a]C[6a]){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|N<3>}	119.3240	0.000	1	118.6945	0.793	2	117.2527	6.633	3	116.9354	1.161	15	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:3:2:	2:3:4:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-4:	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6]Ru)(N[6a]C[6a])	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C){1|Ru<6>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6]Ru)(N[6a]C[6a]){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|N<3>}	118.0650	0.000	1	118.6945	0.793	2	117.2527	6.633	3	116.9354	1.161	15	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6,6a]-3:C[6a]-3:	C[5a,6,6a]-3:C[6,6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6,6a]C[5a,6,6a]C[6,6a])(C[6a]C[6a]H)	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6,6a]C[6,6a]C[6a])(N[6a]C[6a])	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6,6a])(H)	N[6a](C[6,6a]C[5a,6,6a]C[6,6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6,6a]C[6,6a]C[6a])(N[6a]C[6a]){1|N<2>,1|S<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6,6a])(H){3|C<3>}	117.0270	0.000	1	117.0270	0.000	1	117.0270	0.000	1	117.3438	0.820	8	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6,6a]-3:C[6a]-3:	C[6,6a,6a]-3:C[6,6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(N[6a]C[6a])	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6,6a])(H)	N[6a](C[6,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(N[6a]C[6a]){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6,6a])(H){3|C<3>}	117.9530	0.000	1	117.9530	0.000	1	117.8700	0.014	2	117.3438	0.820	8	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6,6a]-3:C[6a]-3:	C[6,6a,6a]-3:C[6,6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]N[6a])(N[6a]C[6a])	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6,6a])(H)	N[6a](C[6,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]N[6a])(N[6a]C[6a]){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6,6a])(H){3|C<3>}	117.7870	0.000	1	117.7870	0.000	1	117.8700	0.014	2	117.3438	0.820	8	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6,6a]-3:C[6a]-3:	C[6,6a,6a]-3:C[6]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]O)(N[6a]C[6a])	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6,6a])(H)	N[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H){1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]O)(N[6a]C[6a]){1|H<1>,5|C<3>}	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6,6a])(H){3|C<3>}	116.8230	0.000	1	116.8230	0.000	1	116.8230	0.000	1	117.3438	0.820	8	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6,6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:O-1:	N[6a](C[6,6a]C[6,6a]N[6,6a])(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6,6a]N[6a]C[6])(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6,6a])(O)	N[6a](C[6,6a]C[6,6a]N[6,6a])(C[6a]C[6a]O){1|C<4>,1|N<2>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6,6a]N[6a]C[6])(N[6a]C[6a]){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6,6a])(O){1|N<3>,3|C<3>}	119.1600	0.000	1	119.1600	0.000	1	119.1600	0.000	1	117.3438	0.820	8	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:H-1:	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a,6a]H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(N[6]C[6,6]Ru)(N[6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6,6a])(H)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a,6a]H){1|Ru<7>,1|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(N[6]C[6,6]Ru)(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6,6a])(H){1|H<1>,1|N<3>,3|C<3>}	116.3720	0.000	1	116.3720	0.000	1	116.3720	0.000	1	117.3438	0.820	8	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]Br)(N[6a]C[6,6a])(H)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6]H)(N[6a]C[6a]){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6,6a])(H){1|C<3>,1|H<1>,1|N<3>}	116.8140	0.000	2	116.8140	0.000	2	116.8140	0.000	2	117.3438	0.820	8	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:3:2:	3:2:2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6,6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:N-2:	N[6a](C[6,6a]C[6,6a]N[6,6a])(C[6a]C[6a,6a]N)	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6,6a]C[6a,6a]C[6])(N[6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6,6a])(NH)	N[6a](C[6,6a]C[6,6a]N[6,6a])(C[6a]C[6a,6a]N){5|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6,6a]C[6a,6a]C[6])(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,1|O<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6,6a])(NH){1|H<1>,1|N<3>,3|C<3>}	119.2840	0.000	1	119.2840	0.000	1	119.8710	0.689	2	119.8710	0.689	2	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:3:2:	3:2:2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6,6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:N-2:	N[6a](C[6,6a]C[6,6a]N[6,6a])(C[6a]C[6a,6a]N)	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6,6a]C[6a,6a]C[6])(N[6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6,6a])(NO)	N[6a](C[6,6a]C[6,6a]N[6,6a])(C[6a]C[6a,6a]N){5|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6,6a]C[6a,6a]C[6])(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,1|O<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6,6a])(NO){1|H<1>,1|N<3>,3|C<3>}	120.4580	0.000	1	120.4580	0.000	1	119.8710	0.689	2	119.8710	0.689	2	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:3:2:	3:2:3:	C[6,6a]-3:C[6a]-3:	C[6,6,6a]-3:N[6]-3:N[6a]-2:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6,6a]C[6,6,6a]N[6])(C[6a]C[6a]N)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(N[6]C[6a]N[6])(N[6a]C[6a])	C[6a](C[6a]C[6,6a]C)(N[6a]C[6,6a])(NHH)	N[6a](C[6,6a]C[6,6,6a]N[6])(C[6a]C[6a]N){1|C<2>,1|N<2>,3|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(N[6]C[6a]N[6])(N[6a]C[6a]){2|N<3>,5|C<3>}	C[6a](C[6a]C[6,6a]C)(N[6a]C[6,6a])(NHH){1|C<3>,2|N<3>}	116.2440	0.000	1	116.2440	0.000	1	116.2440	0.000	1	119.6734	9.771	8	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:3:2:	3:2:3:	C[6,6a]-3:C[6a]-3:	C[6,6a,6a]-3:C[6,6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]2)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(N[6a]C[6a])	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6,6a])(C[6a]C[6a]2)	N[6a](C[6,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]2){7|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(N[6a]C[6a]){1|H<1>,7|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6,6a])(C[6a]C[6a]2){2|H<1>,7|C<3>}	120.5930	0.000	1	120.5930	0.000	1	120.5930	0.000	1	119.6734	9.771	8	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:3:2:	3:2:3:	C[6,6a]-3:C[6a]-3:	C[6,6a,6a]-3:C[6]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-3:	N[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]C)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]O)(N[6a]C[6a])	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6,6a])(COO)	N[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]C){1|O<1>,4|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]O)(N[6a]C[6a]){1|N<2>,5|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6,6a])(COO){5|C<3>}	117.6670	0.000	1	117.6670	0.000	1	117.6670	0.000	1	119.6734	9.771	8	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:3:2:	3:2:3:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:N-3:	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a,6a]N)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a,6a]C[6])(N[6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6,6a])(NCH)	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a,6a]N){1|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a,6a]C[6])(N[6a]C[6a]){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6,6a])(NCH){1|H<1>,4|C<3>}	124.3470	0.228	2	124.3470	0.052	2	124.3470	0.052	2	119.6734	9.771	8	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:3:2:	3:2:3:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6,6]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]B[6])(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]2){1|B<4>,1|H<1>,1|N<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]B[6])(N[6a]C[6a]){1|N<2>,1|O<2>,2|F<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6,6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	117.8260	0.000	1	117.8260	0.000	1	117.8260	0.000	1	119.6734	9.771	8	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:3:2:	3:2:3:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]2)	C[6,6a](C[6,6a]N[6a]N[6])(N[6]C[6,6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6,6a])(C[6a]C[6a]2)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]2){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[6,6a](C[6,6a]N[6a]N[6])(N[6]C[6,6a]H)(N[6a]C[6a]){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6,6a])(C[6a]C[6a]2){1|N<3>,2|H<1>,5|C<3>}	117.8940	0.000	1	117.8940	0.000	1	117.8940	0.000	1	119.6734	9.771	8	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:3:2:	3:2:3:	C[6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a])	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6,6a])(C[6a]C[6a]2)	N[6a](C[6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2){2|C<4>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a]){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6,6a])(C[6a]C[6a]2){1|C<4>,4|H<1>,5|C<3>}	118.4690	0.000	1	118.4690	0.000	1	118.4690	0.000	1	119.6734	9.771	8	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:4:2:	2:2:1:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:N[6a]-2:	N[6a]-2:N[6a]-2:Cl-1:	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]N[6a]Cl)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a])	C[6a](N[6a]C[6,6a])(N[6a]C[6a])(Cl)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]N[6a]Cl){1|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a]){1|Cl<1>,1|C<3>,1|N<2>,1|N<3>,4|H<1>}	C[6a](N[6a]C[6,6a])(N[6a]C[6a])(Cl){1|C<4>,2|C<3>}	115.2200	0.000	1	115.2200	0.000	1	115.2200	0.000	1	115.2200	0.000	1	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:4:2:	2:2:3:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:N[6a]-2:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]N[6a]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a])	C[6a](N[6a]C[6,6a])(N[6a]C[6a])(NHH)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]N[6a]N){1|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,5|H<1>}	C[6a](N[6a]C[6,6a])(N[6a]C[6a])(NHH){1|C<3>,1|C<4>,1|H<1>}	116.7130	0.000	1	116.7130	0.000	1	116.7130	0.000	1	116.7130	0.000	1	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:4:2:	2:3:1:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]Cr)(N[6a]C[6a])	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H)	N[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H){1|Cr<9>,1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]Cr)(N[6a]C[6a]){2|C<4>,3|C<3>,3|H<1>}	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	117.7950	0.000	1	117.7950	0.000	1	117.7950	0.000	1	116.7315	2.005	25	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:4:2:	2:3:1:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:N[6a]-2:	N[6a]-2:C[6a]-3:Cl-1:	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]2N)(N[6a]C[6a])	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(Cl)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]2N)(N[6a]C[6a]){1|Cl<1>,2|C<3>,2|C<4>,5|H<1>}	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	117.3780	0.000	1	117.3780	0.000	1	117.3780	0.000	1	116.7315	2.005	25	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:4:2:	2:3:1:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6]HH)(N[6a]C[6a])	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6]HH)(N[6a]C[6a]){1|C<3>,2|C<4>,5|H<1>}	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	118.4000	0.000	1	117.8083	0.282	4	116.6193	2.583	18	116.7315	2.005	25	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:4:2:	2:3:1:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6]HH)(N[6a]C[6a])	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6]HH)(N[6a]C[6a]){1|C<4>,2|C<3>,4|H<1>}	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	117.6110	0.435	3	117.8083	0.282	4	116.6193	2.583	18	116.7315	2.005	25	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:4:2:	2:3:1:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(N[6a]C[6a])	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(N[6a]C[6a]){1|C<3>,3|C<4>,4|H<1>}	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	117.9970	0.000	1	117.9970	0.000	1	116.6193	2.583	18	116.7315	2.005	25	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:4:2:	2:3:1:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(N[6a]C[6a])	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(N[6a]C[6a]){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>}	115.0190	0.000	1	116.4930	0.978	4	116.6193	2.583	18	116.7315	2.005	25	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:4:2:	2:3:1:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(N[6a]C[6a])	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(N[6a]C[6a]){1|C<4>,3|C<3>,3|H<1>}	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	116.9843	0.136	3	116.4930	0.978	4	116.6193	2.583	18	116.7315	2.005	25	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:4:2:	2:3:1:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HN)(N[6a]C[6a])	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HN)(N[6a]C[6a]){1|C<3>,1|C<4>,6|H<1>}	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	118.3580	0.000	1	118.3580	0.000	1	116.6193	2.583	18	116.7315	2.005	25	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:4:2:	2:3:1:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a])	C[6a](N[6a]C[6,6a])(C[6a]N[6a]O)(H)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a]){1|C<3>,2|C<4>,5|H<1>}	C[6a](N[6a]C[6,6a])(C[6a]N[6a]O)(H){1|C<3>,2|C<4>}	118.6160	0.006	2	118.6160	0.000	2	116.6193	2.583	18	116.7315	2.005	25	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:4:2:	2:3:1:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[6]MoH)(N[6a]C[6a])	C[6a](N[6a]C[6,6a])(C[6a]N[6a]H)(H)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H){1|Mo<9>,1|N<2>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[6]MoH)(N[6a]C[6a]){1|C<3>,1|C<4>,3|H<1>}	C[6a](N[6a]C[6,6a])(C[6a]N[6a]H)(H){1|C<3>,1|C<4>}	114.7260	0.052	6	114.7260	0.003	6	116.6193	2.583	18	116.7315	2.005	25	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:4:2:	2:3:1:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:S[6]-4:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(S[6]N[5a,6]OO)(N[6a]C[6a])	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H)	N[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(S[6]N[5a,6]OO)(N[6a]C[6a]){1|N<2>,2|H<1>,3|C<3>}	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>}	115.7740	0.000	1	115.7740	0.000	1	116.7934	0.605	5	116.7315	2.005	25	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:4:2:	2:3:1:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:S[6]-4:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(S[6]C[6,6a]OO)(N[6a]C[6a])	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H)	N[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H){1|H<1>,2|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(S[6]C[6,6a]OO)(N[6a]C[6a]){1|O<1>,2|H<1>,3|C<3>}	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>}	116.5530	0.293	2	116.5530	0.086	2	116.7934	0.605	5	116.7315	2.005	25	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:4:2:	2:3:1:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:S[6]-4:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(S[6]N[6]OO)(N[6a]C[6a])	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H)	N[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H){1|C<3>,1|H<1>,2|N<3>,2|O<1>}	C[6,6a](C[6,6a]C[6a]N[6])(S[6]N[6]OO)(N[6a]C[6a]){1|C<3>,2|C<4>,3|H<1>}	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>}	117.5435	0.234	2	117.5435	0.055	2	116.7934	0.605	5	116.7315	2.005	25	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:4:2:	2:3:2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:N[6a]-2:	N[6a]-2:C[6a]-3:N-2:	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a])	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(NC[5a])	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N){1|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<2>,5|H<1>}	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(NC[5a]){1|C<3>,1|C<4>,1|H<1>}	118.7615	0.402	2	118.7615	0.162	2	118.7615	0.162	2	118.0942	0.253	11	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:4:2:	2:3:2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:N[6a]-2:	N[6a]-2:C[6a]-3:O-2:	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6]C[6,6]HH)(N[6a]C[6a])	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(OC)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O){1|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6]C[6,6]HH)(N[6a]C[6a]){1|C<3>,1|N<4>,1|O<2>,2|H<1>,3|C<4>}	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	117.9490	0.000	1	117.9490	0.000	1	117.9459	0.159	9	118.0942	0.253	11	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:4:2:	2:3:2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:N[6a]-2:	N[6a]-2:C[6a]-3:O-2:	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(N[6a]C[6a])	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(OC)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O){1|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(N[6a]C[6a]){1|C<3>,1|N<3>,1|O<2>,2|H<1>,3|C<4>}	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	118.1030	0.000	1	118.0524	0.273	5	117.9459	0.159	9	118.0942	0.253	11	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:4:2:	2:3:2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:N[6a]-2:	N[6a]-2:C[6a]-3:O-2:	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(N[6a]C[6a])	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(OC)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O){1|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(N[6a]C[6a]){1|C<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	117.6320	0.000	1	118.0524	0.273	5	117.9459	0.159	9	118.0942	0.253	11	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:4:2:	2:3:2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:N[6a]-2:	N[6a]-2:C[6a]-3:O-2:	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(N[6a]C[6a])	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(OC)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O){1|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(N[6a]C[6a]){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	118.1757	0.658	3	118.0524	0.273	5	117.9459	0.159	9	118.0942	0.253	11	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:4:2:	2:3:2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:N[6a]-2:	N[6a]-2:C[6a]-3:O-2:	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(N[6a]C[6a])	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(OC)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(N[6a]C[6a]){1|H<1>,1|O<2>,5|C<3>}	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	117.8070	0.000	1	117.8070	0.000	1	117.9459	0.159	9	118.0942	0.253	11	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:4:2:	2:3:2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:N[6a]-2:	N[6a]-2:C[6a]-3:O-2:	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(N[6a]C[6a])	C[6a](N[6a]C[6,6a])(C[6a]C[6a]C)(OC)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(N[6a]C[6a]){1|C<2>,1|O<2>,5|C<3>}	C[6a](N[6a]C[6,6a])(C[6a]C[6a]C)(OC){1|C<2>,1|C<3>,1|C<4>}	117.7475	0.172	2	117.7475	0.030	2	117.9459	0.159	9	118.0942	0.253	11	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:4:2:	2:3:3:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:N[6a]-2:	N[6a]-2:C[6a]-3:C-3:	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a])	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(COO)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C){1|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a]){1|C<4>,3|C<3>,4|H<1>}	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(COO){1|C<4>,2|C<3>}	117.8950	0.000	1	117.8950	0.000	1	117.8950	0.000	1	118.7139	0.442	13	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:4:2:	2:3:3:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:N[6a]-2:	N[6a]-2:C[6a]-3:C[6a]-3:	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a])	C[6a](N[6a]C[6,6a])(C[6a]C[6a]2)(C[6a]C[6a]C)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2){2|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a]){1|O<1>,3|C<3>,3|C<4>}	C[6a](N[6a]C[6,6a])(C[6a]C[6a]2)(C[6a]C[6a]C){1|C<4>,2|H<1>,4|C<3>}	119.1750	0.000	1	119.2225	0.005	2	118.5914	0.419	8	118.7139	0.442	13	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:4:2:	2:3:3:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:N[6a]-2:	N[6a]-2:C[6a]-3:C[6a]-3:	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a])	C[6a](N[6a]C[6,6a])(C[6a]C[6a]2)(C[6a]C[6a]C)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2){2|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a]){2|C<3>,2|C<4>,4|H<1>}	C[6a](N[6a]C[6,6a])(C[6a]C[6a]2)(C[6a]C[6a]C){2|C<4>,2|H<1>,3|C<3>}	119.2700	0.000	1	119.2225	0.005	2	118.5914	0.419	8	118.7139	0.442	13	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:4:2:	2:3:3:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:N[6a]-2:	N[6a]-2:C[6a]-3:C[6a]-3:	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a])	C[6a](N[6a]C[6,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6a](N[6a]C[6,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	118.5787	0.569	4	118.5526	0.247	5	118.5914	0.419	8	118.7139	0.442	13	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:4:2:	2:3:3:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:N[6a]-2:	N[6a]-2:C[6a]-3:C[6a]-3:	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a])	C[6a](N[6a]C[6,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a]){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	C[6a](N[6a]C[6,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	118.4480	0.000	1	118.5526	0.247	5	118.5914	0.419	8	118.7139	0.442	13	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:4:2:	2:3:3:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:N[6a]-2:	N[6a]-2:C[6a]-3:C[6a]-3:	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6]HH)(N[6a]C[6a])	C[6a](N[6a]C[6,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6]HH)(N[6a]C[6a]){2|C<3>,2|C<4>,3|H<1>}	C[6a](N[6a]C[6,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	117.5230	0.000	1	117.5230	0.000	1	118.5914	0.419	8	118.7139	0.442	13	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:4:2:	2:3:3:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:N[6a]-2:	N[6a]-2:C[6a]-3:N-3:	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a])	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(NCH)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N){1|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	118.4550	0.000	1	118.4550	0.000	1	118.9795	0.550	2	118.7139	0.442	13	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:4:2:	2:3:3:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:N[6a]-2:	N[6a]-2:C[6a]-3:N-3:	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a])	C[6a](N[6a]C[6,6a])(C[6a]C[6a]N)(NCH)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a]){1|C<3>,1|H<1>,1|N<3>,1|O<1>,3|C<4>}	C[6a](N[6a]C[6,6a])(C[6a]C[6a]N)(NCH){1|C<3>,1|C<4>,1|H<1>}	119.5040	0.000	1	119.5040	0.000	1	118.9795	0.550	2	118.7139	0.442	13	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:4:2:	2:3:3:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:N[6a]-2:	N[6a]-2:C[6a]-3:N[6]-3:	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a])	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]2)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N[6]){2|C<3>,3|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a]){1|C<3>,1|H<1>,1|N<3>,1|O<1>,3|C<4>}	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,3|C<4>,5|H<1>}	119.3480	0.290	2	119.3480	0.084	2	119.3480	0.084	2	118.7139	0.442	13	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:4:2:	2:3:4:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:N[6a]-2:	N[6a]-2:C[6a]-3:C-4:	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(N[6a]C[6a])	C[6a](N[6a]C[6,6a])(C[6a]C[6a]C)(CH3)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(N[6a]C[6a]){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6a](N[6a]C[6,6a])(C[6a]C[6a]C)(CH3){1|C<3>,1|C<4>,1|H<1>}	119.3550	0.000	1	119.3550	0.000	1	119.1135	0.117	2	117.7171	1.685	9	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:4:2:	2:3:4:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:N[6a]-2:	N[6a]-2:C[6a]-3:C-4:	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a])	C[6a](N[6a]C[6,6a])(C[6a]C[6a]C)(CH3)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a]){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](N[6a]C[6,6a])(C[6a]C[6a]C)(CH3){1|C<4>,2|C<3>}	118.8720	0.000	1	118.8720	0.000	1	119.1135	0.117	2	117.7171	1.685	9	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:4:2:	2:3:4:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:S[6]-4:N[6a]-2:	N[6a]-2:C[6a]-3:C-4:	N[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]C)	C[6,6a](C[6,6a]C[6a]C[6])(S[6]N[6,6]OO)(N[6a]C[6a])	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]C){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	C[6,6a](C[6,6a]C[6a]C[6])(S[6]N[6,6]OO)(N[6a]C[6a]){1|O<1>,2|C<3>,3|C<4>}	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|S<4>}	116.2210	0.000	1	116.3840	0.053	2	116.4505	0.025	4	117.7171	1.685	9	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:4:2:	2:3:4:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:S[6]-4:N[6a]-2:	N[6a]-2:C[6a]-3:C-4:	N[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]C)	C[6,6a](C[6,6a]C[6a]C[6])(S[6]N[6,6]OO)(N[6a]C[6a])	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]C){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	C[6,6a](C[6,6a]C[6a]C[6])(S[6]N[6,6]OO)(N[6a]C[6a]){1|O<1>,2|C<4>,3|C<3>}	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|S<4>}	116.5470	0.000	1	116.3840	0.053	2	116.4505	0.025	4	117.7171	1.685	9	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:4:2:	2:3:4:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:S[6]-4:N[6a]-2:	N[6a]-2:C[6a]-3:C-4:	N[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]C)	C[6,6a](C[6,6a]C[6a]C[6])(S[6]N[6]OO)(N[6a]C[6a])	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]C){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	C[6,6a](C[6,6a]C[6a]C[6])(S[6]N[6]OO)(N[6a]C[6a]){1|O<1>,2|C<3>,3|C<4>}	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|S<4>}	116.5170	0.052	2	116.5170	0.003	2	116.4505	0.025	4	117.7171	1.685	9	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:4:2:	2:3:4:	C[6,6a]-3:C[6a]-3:	N[6,6a]-3:C[6]-4:N[6a]-2:	N[6a]-2:C[6a]-3:C-4:	N[6a](C[6,6a]N[6,6a]C[6])(C[6a]C[6a]C)	C[6,6a](N[6,6a]C[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a])	C[6a](N[6a]C[6,6a])(C[6a]C[6a]C)(CH3)	N[6a](C[6,6a]N[6,6a]C[6])(C[6a]C[6a]C){1|C<3>,2|H<1>,3|C<4>}	C[6,6a](N[6,6a]C[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a]){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6a](N[6a]C[6,6a])(C[6a]C[6a]C)(CH3){1|C<4>,1|N<3>,1|O<1>}	118.4750	0.792	3	118.4750	0.627	3	118.4750	0.627	3	117.7171	1.685	9	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:4:2:	3:2:2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N[6a])	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[6]CC)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6,6a])(N[6a]N[6a])	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N[6a]){1|C<3>,2|N<2>,4|C<4>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[6]CC)(N[6a]C[6a]){1|C<3>,1|N<2>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6,6a])(N[6a]N[6a]){1|C<4>,1|H<1>,3|C<3>}	116.2773	0.409	3	116.2773	0.167	3	116.2773	0.167	3	116.2773	0.167	3	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:4:2:	3:2:3:	C[6,6a]-3:C[6a]-3:	C[6,6a,6a]-3:C[6]-4:N[6a]-2:	C[6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]2)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(N[6a]C[6a])	C[6a](C[6a]C[6a,6a]C)(N[6a]C[6,6a])(C[6a]C[6a]2)	N[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]2){2|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(N[6a]C[6a]){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]C)(N[6a]C[6,6a])(C[6a]C[6a]2){1|C<4>,2|H<1>,4|C<3>}	118.4380	0.000	1	118.4380	0.000	1	118.4380	0.000	1	118.6558	0.087	9	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:4:2:	3:2:3:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[5a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[5a]C[6a])	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a])	C[6a](C[5a]C[5a]S[5a])(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[5a]C[6a]){1|C<4>,1|S<2>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6a](C[5a]C[5a]S[5a])(N[6a]C[6,6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	118.5310	0.000	1	118.4940	0.003	2	118.4940	0.003	2	118.6558	0.087	9	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:4:2:	3:2:3:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[5a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[5a]C[6a])	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a])	C[6a](C[5a]C[5a]S[5a])(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[5a]C[6a]){1|C<4>,1|S<2>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a]){1|O<1>,3|C<3>,3|C<4>}	C[6a](C[5a]C[5a]S[5a])(N[6a]C[6,6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	118.4570	0.000	1	118.4940	0.003	2	118.4940	0.003	2	118.6558	0.087	9	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:4:2:	3:2:3:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6a,6a]-3:N[6a]-2:N-3:	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]N)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]C[6]HH)(N[6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6,6a])(NC[6a]H)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]N){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]C[6]HH)(N[6a]C[6a]){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6,6a])(NC[6a]H){1|C<4>,1|H<1>,3|C<3>}	118.4030	0.171	2	118.4030	0.029	2	118.4030	0.029	2	118.6558	0.087	9	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:4:2:	3:2:3:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HO)(N[6a]C[6a])	C[6a](C[6a]C[6a,6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HO)(N[6a]C[6a]){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a,6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	118.9175	0.234	4	118.9175	0.055	4	118.9175	0.055	4	118.6558	0.087	9	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	3:4:2:	3:2:4:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6a,6a]-3:N[6a]-2:C-4:	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]C)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]C[6]HH)(N[6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6,6a])(CCHH)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]C){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]C[6]HH)(N[6a]C[6a]){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6,6a])(CCHH){1|C<4>,1|H<1>,3|C<3>}	119.0370	0.000	1	119.0370	0.000	1	119.0370	0.000	1	119.0370	0.000	1	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	4:3:2:	2:2:3:	C[6,6a]-3:C[6a]-3:	C[5,6,6]-4:C[6,6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6,6a]C[5,6,6]C[6,6a])(C[6a]N[6a]N)	C[6,6a](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6,6a]C[6a]C[6])(N[6a]C[6a])	C[6a](N[6a]C[6,6a])(N[6a]C[6a])(NHH)	N[6a](C[6,6a]C[5,6,6]C[6,6a])(C[6a]N[6a]N){1|C<3>,1|H<1>,3|C<4>}	C[6,6a](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6,6a]C[6a]C[6])(N[6a]C[6a]){1|C<3>,1|N<2>,1|N<3>,2|H<1>,6|C<4>}	C[6a](N[6a]C[6,6a])(N[6a]C[6a])(NHH){1|C<4>,2|C<3>}	116.6940	0.000	1	116.6940	0.000	1	116.6940	0.000	1	116.6940	0.000	1	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	4:3:2:	2:3:2:	C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:O-2:	N[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)	C[6,6a](C[5,6]N[5,6,6]C[5,6]H)(C[6,6a]C[6,6]C[6a])(N[6a]C[6a])	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(OC)	N[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O){1|C<3>,1|N<4>,2|C<4>,2|H<1>}	C[6,6a](C[5,6]N[5,6,6]C[5,6]H)(C[6,6a]C[6,6]C[6a])(N[6a]C[6a]){1|C<3>,1|O<2>,4|H<1>,5|C<4>}	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	115.7660	0.000	1	115.7660	0.000	1	115.7660	0.000	1	115.7660	0.000	1	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	4:3:2:	2:3:3:	C[6,6a]-3:C[6a]-3:	C[6]-4:C[6,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-3:	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)	C[6,6a](C[6]C[6,6a]C[6]C)(C[6,6a]C[6a]C[6])(N[6a]C[6a])	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(COO)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C){1|H<1>,2|C<3>,3|C<4>}	C[6,6a](C[6]C[6,6a]C[6]C)(C[6,6a]C[6a]C[6])(N[6a]C[6a]){1|C<4>,1|N<2>,1|O<2>,2|H<1>,5|C<3>}	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(COO){1|C<3>,1|C<4>,1|O<2>}	115.5860	0.000	1	115.5860	0.000	1	115.5860	0.000	1	115.5860	0.000	1	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	4:3:2:	3:2:3:	C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:N[6a]-2:	C[6]-3:N[6a]-2:C[6a]-3:	N[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]C[6])	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(N[6a]C[6a])	C[6a](C[6]C[6]N[6])(N[6a]C[6,6a])(C[6a]C[6a]C)	N[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]C[6]){1|H<1>,1|N<3>,1|O<2>,2|C<3>,3|C<4>}	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(N[6a]C[6a]){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6]C[6]N[6])(N[6a]C[6,6a])(C[6a]C[6a]C){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	118.4100	0.400	2	118.4100	0.160	2	118.4100	0.160	2	118.2200	0.261	4	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:	4:3:2:	3:2:3:	C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]2)	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]2){1|N<2>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(N[6a]C[6a]){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6,6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	118.0300	0.692	2	118.0300	0.478	2	118.0300	0.478	2	118.2200	0.261	4	117.2344	2.027	376	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6,6,6a]	3:3:	3:2:3:	3:4:2:	C[6,6,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:N[6a]-2:	N[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6,6,6a])(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]N[6a])(C[3x6]C[6,6,6a]2H)(N[6a]C[6a,6a])	N[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a,6a]C[6a,6a]C[6a]){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6,6,6a])(C[6a]C[6a]H){1|C<2>,1|C<4>,1|H<1>,2|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]N[6a])(C[3x6]C[6,6,6a]2H)(N[6a]C[6a,6a]){1|H<1>,6|C<3>}	114.5590	0.000	1	114.5590	0.000	1	114.5590	0.000	1	114.5590	0.000	1	114.5590	0.000	1	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6,6a]	3:3:	3:2:2:	3:2:3:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:N[6a]-2:O[6a]-2:	C[6,6a]-3:N[6a]-2:N[6]-3:	N[6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6,6a]N[6])	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(O[6a]C[6a])	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(N[6]C[6]C)	N[6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6,6a]N[6]){3|C<3>,3|C<4>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(O[6a]C[6a]){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(N[6]C[6]C){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	117.7750	0.000	1	117.7750	0.000	1	117.7750	0.000	1	117.7750	0.000	1	117.0433	1.018	69	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6,6a]	3:3:	3:2:2:	3:2:4:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6,6a]-3:N[6a]-2:C[6]-4:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]C[6])	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(N[6a]C[6a])	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]C[6]){1|C<4>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(N[6a]C[6a]){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|S<2>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH){1|C<3>,1|H<1>,1|N<2>,1|O<1>,3|C<4>}	118.2240	0.000	1	118.2240	0.000	1	118.2240	0.000	1	118.2240	0.000	1	117.0433	1.018	69	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6,6a]	3:3:	3:2:3:	3:2:2:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6,6a]-3:N[6a]-2:N[6]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6,6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]N[6a])(N[6a]C[6a,6a])(N[6]N[6])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6]){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6,6a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(N[6a]C[6a,6a])(N[6]N[6]){1|O<1>,4|C<3>}	115.8950	0.076	2	115.8950	0.006	2	115.8950	0.006	2	117.1090	1.149	24	117.0433	1.018	69	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6,6a]	3:3:	3:2:3:	3:2:2:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6,6a]-3:N[6a]-2:O[6]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]O[6])	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(O[6]C[6,6])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]O[6]){1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(O[6]C[6,6]){2|H<1>,4|C<3>}	117.1110	0.000	1	117.1110	0.000	1	116.5039	0.180	9	117.1090	1.149	24	117.0433	1.018	69	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6,6a]	3:3:	3:2:3:	3:2:2:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6,6a]-3:N[6a]-2:O[6]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]O[6])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6,6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6a,6a])(O[6]C[6])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]O[6]){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6,6a])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6a,6a])(O[6]C[6]){1|S<2>,2|C<4>,3|C<3>}	116.4105	0.022	2	116.4105	0.000	2	116.5039	0.180	9	117.1090	1.149	24	117.0433	1.018	69	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6,6a]	3:3:	3:2:3:	3:2:2:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6,6a]-3:N[6a]-2:O[6]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]O[6])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6,6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6a]O[6])(N[6a]C[6a,6a])(O[6]C[5a,6])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]O[6]){1|H<1>,1|N<2>,1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6,6a])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]N[6a]O[6])(N[6a]C[6a,6a])(O[6]C[5a,6]){4|C<3>}	117.0015	0.016	2	117.0015	0.000	2	116.5039	0.180	9	117.1090	1.149	24	117.0433	1.018	69	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6,6a]	3:3:	3:2:3:	3:2:2:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6,6a]-3:N[6a]-2:O[6]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]O[6])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6,6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6a]O[6])(N[6a]C[6a,6a])(O[6]C[6,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]O[6]){1|H<1>,1|N<2>,1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6,6a])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]N[6a]O[6])(N[6a]C[6a,6a])(O[6]C[6,6a]){4|C<3>}	116.1500	0.137	4	116.1500	0.019	4	116.5039	0.180	9	117.1090	1.149	24	117.0433	1.018	69	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6,6a]	3:3:	3:2:3:	3:2:2:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6,6a]-3:N[6a]-2:S[6]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]S[6])	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(S[6]C[6])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]S[6]){1|C<4>,1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){1|S<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(S[6]C[6]){3|H<1>,4|C<3>}	117.9620	0.486	2	117.9620	0.237	2	117.7148	1.164	13	117.1090	1.149	24	117.0433	1.018	69	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6,6a]	3:3:	3:2:3:	3:2:2:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6,6a]-3:N[6a]-2:S[6]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]S[6])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6,6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6a]S[6])(N[6a]C[6a,6a])(S[6]C[5a,6])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]S[6]){1|H<1>,1|N<2>,1|S<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6,6a])(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]N[6a]S[6])(N[6a]C[6a,6a])(S[6]C[5a,6]){4|C<3>}	117.9728	0.561	6	117.9728	0.315	6	117.7148	1.164	13	117.1090	1.149	24	117.0433	1.018	69	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6,6a]	3:3:	3:2:3:	3:2:2:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6,6a]-3:N[6a]-2:S[6]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]S[6])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6,6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6a]S[6])(N[6a]C[6a,6a])(S[6]C[6])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]S[6]){1|H<1>,1|N<2>,1|S<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6,6a])(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]N[6a]S[6])(N[6a]C[6a,6a])(S[6]C[6]){1|S<2>,3|C<3>}	117.3062	1.643	5	117.3062	2.701	5	117.7148	1.164	13	117.1090	1.149	24	117.0433	1.018	69	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6,6a]	3:3:	3:2:3:	3:2:3:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6,6a]-3:N[6a]-2:C[6]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6,6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]N[6a])(N[6a]C[6a,6a])(C[6]O[6]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6]){1|H<1>,1|N<2>,1|O<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(N[6a]C[6a,6a])(C[6]O[6]C){4|C<3>}	117.2960	0.000	1	117.2960	0.000	1	117.0507	0.045	3	116.8385	0.165	8	117.0433	1.018	69	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6,6a]	3:3:	3:2:3:	3:2:3:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6,6a]-3:N[6a]-2:C[6]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6,6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6,6a]O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6]){1|H<1>,1|N<2>,1|O<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6,6a]O){1|O<1>,4|C<3>}	116.9280	0.011	2	116.9280	0.000	2	117.0507	0.045	3	116.8385	0.165	8	117.0433	1.018	69	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6,6a]	3:3:	3:2:3:	3:2:3:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6,6a]-3:N[6a]-2:N[6]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6,6a])(C[6a]C[6a]C)	C[6,6a](C[6,6a]N[6a]N[6])(N[6a]C[6a,6a])(N[6]C[6,6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6]){1|C<2>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6,6a])(C[6a]C[6a]C){1|C<2>,1|H<1>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]N[6a]N[6])(N[6a]C[6a,6a])(N[6]C[6,6a]H){1|H<1>,1|N<2>,3|C<3>}	116.8320	0.444	2	116.8320	0.197	2	116.5860	0.178	4	116.8385	0.165	8	117.0433	1.018	69	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6,6a]	3:3:	3:2:3:	3:2:3:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6,6a]-3:N[6a]-2:N[6]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6,6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6a]N[6])(N[6a]C[6a,6a])(N[6]C[6,6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6]){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6,6a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]N[6a]N[6])(N[6a]C[6a,6a])(N[6]C[6,6a]H){1|H<1>,1|N<2>,3|C<3>}	116.3400	0.307	2	116.3400	0.094	2	116.5860	0.178	4	116.8385	0.165	8	117.0433	1.018	69	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6,6a]	3:3:	3:2:3:	3:2:3:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6,6a]-3:N[6a]-2:C[6]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6,6a]C[6])	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6,6a]C[6]){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]H){1|O<1>,5|C<3>}	117.2120	0.000	1	117.2120	0.000	1	117.2120	0.000	1	116.8385	0.165	8	117.0433	1.018	69	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6,6a]	3:3:	3:2:3:	3:2:4:	C[6,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6,6a,6a]-3:N[6a]-2:C[6]-4:	N[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6,6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[6a]C[6a,6a])(C[6]C[6]CC)	N[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,2|C<4>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6,6a])(C[6a]C[6a]H){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[6a]C[6a,6a])(C[6]C[6]CC){1|N<3>,1|O<1>,4|C<3>}	118.4790	0.000	1	118.4430	0.003	2	118.4430	0.003	2	116.7761	1.071	28	117.0433	1.018	69	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6,6a]	3:3:	3:2:3:	3:2:4:	C[6,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6,6a,6a]-3:N[6a]-2:C[6]-4:	N[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6,6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[6a]C[6a,6a])(C[6]C[6]CC)	N[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,2|C<4>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6,6a])(C[6a]C[6a]H){1|C<4>,1|F<1>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[6a]C[6a,6a])(C[6]C[6]CC){1|N<3>,1|O<1>,4|C<3>}	118.4070	0.000	1	118.4430	0.003	2	118.4430	0.003	2	116.7761	1.071	28	117.0433	1.018	69	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6,6a]	3:3:	3:2:3:	3:2:4:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6,6a]-3:N[6a]-2:C[6]-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6]){2|C<4>,3|C<3>,3|H<1>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH){1|C<4>,2|C<3>,5|H<1>}	117.6880	0.000	1	117.6880	0.000	1	116.0203	0.474	15	116.7761	1.071	28	117.0433	1.018	69	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6,6a]	3:3:	3:2:3:	3:2:4:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6,6a]-3:N[6a]-2:C[6]-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6,6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6]){1|N<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6,6a])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	116.9615	0.006	2	116.9615	0.000	2	116.0203	0.474	15	116.7761	1.071	28	117.0433	1.018	69	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6,6a]	3:3:	3:2:3:	3:2:4:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6,6a]-3:N[6a]-2:C[6]-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6,6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]MoH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6]){1|Mo<10>,1|N<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6,6a])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]MoH){1|C<4>,2|C<3>,2|H<1>}	115.6303	0.318	8	115.6904	0.107	10	116.0203	0.474	15	116.7761	1.071	28	117.0433	1.018	69	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6,6a]	3:3:	3:2:3:	3:2:4:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6,6a]-3:N[6a]-2:C[6]-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6,6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]MoH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6]){1|Mo<9>,1|N<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6,6a])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]MoH){1|C<4>,2|C<3>,2|H<1>}	115.9310	0.330	2	115.6904	0.107	10	116.0203	0.474	15	116.7761	1.071	28	117.0433	1.018	69	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6,6a]	3:3:	3:2:3:	3:2:4:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6,6a]-3:N[6a]-2:C[6]-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6,6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]NiH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6]){1|Ni<6>,1|N<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6,6a])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]NiH){1|C<4>,2|C<3>,2|H<1>}	115.8950	0.066	2	115.8950	0.004	2	116.0203	0.474	15	116.7761	1.071	28	117.0433	1.018	69	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6,6a]	3:3:	3:2:3:	3:2:4:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6,6a]-3:N[6a]-2:C[6]-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6,6a]C[6])	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6,6a]C[6]){2|C<4>,3|C<3>,3|H<1>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	117.9108	0.390	4	117.9108	0.152	4	117.5037	0.232	11	116.7761	1.071	28	117.0433	1.018	69	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6,6a]	3:3:	3:2:3:	3:2:4:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6,6a]-3:N[6a]-2:C[6]-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6,6a]C[6])	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]N[6]CO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6,6a]C[6]){1|H<1>,1|N<3>,1|O<2>,2|C<4>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]N[6]CO){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	117.2053	0.462	4	117.2053	0.214	4	117.5037	0.232	11	116.7761	1.071	28	117.0433	1.018	69	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6,6a]	3:3:	3:2:3:	3:2:4:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6,6a]-3:N[6a]-2:C[6]-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6,6a]C[6])	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]N[6]HH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6,6a]C[6]){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]N[6]HH){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	117.6650	0.000	1	117.6650	0.000	1	117.5037	0.232	11	116.7761	1.071	28	117.0433	1.018	69	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6,6a]	3:3:	3:2:3:	3:2:4:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6,6a]-3:N[6a]-2:C[6]-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6,6a]C[6])	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]N[6]HO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6,6a]C[6]){1|C<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]N[6]HO){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	117.1940	0.000	1	117.1940	0.000	1	117.5037	0.232	11	116.7761	1.071	28	117.0433	1.018	69	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6,6a]	3:3:	3:2:3:	3:2:4:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6,6a]-3:N[6a]-2:C[6]-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6,6a]C[6])	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	C[6,6a](N[6,6a]C[6a]N[6])(N[6a]C[6a,6a])(C[6]O[6]CH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6,6a]C[6]){1|C<4>,1|N<2>,1|O<2>,2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6,6a](N[6,6a]C[6a]N[6])(N[6a]C[6a,6a])(C[6]O[6]CH){1|O<1>,3|C<3>}	117.2180	0.000	1	117.2180	0.000	1	117.5037	0.232	11	116.7761	1.071	28	117.0433	1.018	69	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6,6a]	3:3:	3:2:3:	3:4:2:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6,6a]-3:C[6]-4:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6,6a]C[6])	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	C[6,6a](N[6,6a]C[6a]C[6])(C[6]N[5]N[6]H)(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6,6a]C[6]){1|C<4>,2|H<1>,2|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6,6a](N[6,6a]C[6a]C[6])(C[6]N[5]N[6]H)(N[6a]C[6a,6a]){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	116.6710	0.000	1	116.6710	0.000	1	116.6710	0.000	1	116.6710	0.000	1	117.0433	1.018	69	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6,6a]	3:3:	3:3:2:	3:2:3:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6,6a]-3:N[6a]-2:C[6]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5a,6a]C)(N[6a]C[6,6a])	C[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6,6a]O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6]){1|C<2>,1|N<2>,1|O<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5a,6a]C)(N[6a]C[6,6a]){1|C<2>,1|N<2>,3|C<3>}	C[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6,6a]O){1|N<2>,1|O<1>,3|C<3>}	117.2420	0.214	2	117.2420	0.046	2	117.2420	0.046	2	117.2420	0.046	2	117.0433	1.018	69	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6,6a]	3:3:	3:3:2:	3:2:4:	C[6,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6,6a]-3:N[6a]-2:C[6]-4:	N[6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6,6a])	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a,6a]2){2|C<4>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6,6a]){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH){1|C<4>,2|C<3>,5|H<1>}	118.8180	0.000	1	118.8180	0.000	1	118.8180	0.000	1	118.4437	0.090	4	117.0433	1.018	69	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6,6a]	3:3:	3:3:2:	3:2:4:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:N[6a]-2:C[6]-4:	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6])	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6,6a])	C[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH)	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6]){1|N<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6,6a]){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	118.4110	0.000	1	118.4110	0.000	1	118.4110	0.000	1	118.4437	0.090	4	117.0433	1.018	69	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6,6a]	3:3:	3:3:2:	3:2:4:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6,6a]-3:N[6a]-2:C[6]-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H)(N[6a]C[6,6a])	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6]){2|C<4>,3|C<3>,3|H<1>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H)(N[6a]C[6,6a]){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH){2|C<3>,2|C<4>,4|H<1>}	118.2730	0.264	2	118.2730	0.070	2	118.2730	0.070	2	118.4437	0.090	4	117.0433	1.018	69	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:2:2:	3:2:2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]N[6a])2	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])2{5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(N[6a]C[6a]){1|N<2>,2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(N[6a]C[6a]){1|N<2>,2|H<1>,3|C<3>}	117.9782	0.554	5	117.9782	0.307	5	116.9791	1.616	11	117.1155	1.500	13	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:2:2:	3:2:2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]N[6a])2	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])2{5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(N[6a]C[6a]){1|C<3>,1|N<2>,1|N<3>,1|O<1>,2|H<1>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(N[6a]C[6a]){1|N<2>,2|C<3>,3|H<1>}	117.5200	0.000	2	117.5200	0.000	2	116.9791	1.616	11	117.1155	1.500	13	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:2:2:	3:2:2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]N[6a])2	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a,6a])(N[6a]C[6a])	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a,6a])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])2{2|C<3>,3|N<2>}	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a,6a])(N[6a]C[6a]){1|C<2>,1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a,6a])(N[6a]C[6a]){1|N<2>,3|C<3>}	115.3690	0.105	3	115.4597	0.040	4	116.9791	1.616	11	117.1155	1.500	13	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:2:2:	3:2:2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]N[6a])2	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a,6a])(N[6a]C[6a])	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a,6a])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])2{2|C<3>,3|N<2>}	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a,6a])(N[6a]C[6a]){1|N<2>,1|O<2>,2|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a,6a])(N[6a]C[6a]){1|N<2>,3|C<3>}	115.7320	0.000	1	115.4597	0.040	4	116.9791	1.616	11	117.1155	1.500	13	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:2:2:	3:2:2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:S[6a]-2:	C[6a,6a]-3:N[6a]-2:S[6a]-2:	N[6a](C[6a,6a]C[6a,6a]S[6a])2	C[6a,6a](C[6a,6a]C[6a]S[6a])(N[6a]C[6a,6a])(S[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a]S[6a])(N[6a]C[6a,6a])(S[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]S[6a])2{2|S<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]S[6a])(N[6a]C[6a,6a])(S[6a]C[6a,6a]){1|C<4>,1|S<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]S[6a])(N[6a]C[6a,6a])(S[6a]C[6a,6a]){1|C<4>,1|S<2>,3|C<3>}	117.3600	0.000	1	117.8660	0.512	2	117.8660	0.512	2	117.1155	1.500	13	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:2:2:	3:2:2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:S[6a]-2:	C[6a,6a]-3:N[6a]-2:S[6a]-2:	N[6a](C[6a,6a]C[6a,6a]S[6a])2	C[6a,6a](C[6a,6a]C[6a]S[6a])(N[6a]C[6a,6a])(S[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a]S[6a])(N[6a]C[6a,6a])(S[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]S[6a])2{2|S<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]S[6a])(N[6a]C[6a,6a])(S[6a]C[6a,6a]){1|H<1>,1|S<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]S[6a])(N[6a]C[6a,6a])(S[6a]C[6a,6a]){1|H<1>,1|S<2>,3|C<3>}	118.3720	0.000	1	117.8660	0.512	2	117.8660	0.512	2	117.1155	1.500	13	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:2:2:	3:2:3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a]){1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(N[6a]C[6a]){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H){1|N<2>,2|C<3>,3|H<1>}	117.4430	0.000	1	117.4430	0.000	1	117.4430	0.000	1	117.4430	0.000	1	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:2:3:	3:2:2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a])(N[6a]N[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a]){1|H<1>,2|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a])(N[6a]N[6a]){4|C<3>}	116.5680	0.000	1	116.5680	0.000	1	116.7641	0.084	15	116.7641	0.084	15	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:2:3:	3:2:2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a,6a])(N[6a]C[6,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a]){1|H<1>,2|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a,6a])(N[6a]C[6,6a]){1|N<3>,3|C<3>}	116.3920	0.016	2	116.3920	0.000	2	116.7641	0.084	15	116.7641	0.084	15	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:2:3:	3:2:2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a,6a])2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a]){1|H<1>,2|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a,6a])2{4|C<3>}	116.8425	0.268	12	116.8425	0.072	12	116.7641	0.084	15	116.7641	0.084	15	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:2:3:	3:2:3:	C[6a,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[5,6a,6a]C[5,6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a]){1|C<4>,1|H<1>,5|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]C){1|C<4>,1|N<3>,4|C<3>}	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	117.6140	0.000	1	117.6140	0.000	1	117.6345	0.011	4	117.6444	0.993	482	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:2:3:	3:2:3:	C[6a,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[5,6a,6a]C[5,6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a]){2|H<1>,5|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,4|C<3>}	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	117.6413	0.128	3	117.6413	0.016	3	117.6345	0.011	4	117.6444	0.993	482	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:2:3:	3:2:3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[5a,6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|N<2>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|C<4>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	116.6300	0.148	2	116.4345	0.108	4	117.6432	1.012	463	117.6444	0.993	482	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:2:3:	3:2:3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[5a,6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|N<2>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|N<3>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	116.2390	0.387	2	116.4345	0.108	4	117.6432	1.012	463	117.6444	0.993	482	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:2:3:	3:2:3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2{2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	118.4950	0.000	1	118.4950	0.000	1	117.6432	1.012	463	117.6444	0.993	482	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:2:3:	3:2:3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2{2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	118.4523	0.209	3	118.4275	0.327	6	117.6432	1.012	463	117.6444	0.993	482	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:2:3:	3:2:3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2{2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	117.8955	0.037	2	118.4275	0.327	6	117.6432	1.012	463	117.6444	0.993	482	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:2:3:	3:2:3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2{2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	119.4170	0.000	1	118.4275	0.327	6	117.6432	1.012	463	117.6444	0.993	482	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:2:3:	3:2:3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|N<2>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	116.6812	0.284	6	116.6812	0.081	6	117.6432	1.012	463	117.6444	0.993	482	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:2:3:	3:2:3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|N<2>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	117.1550	0.130	2	117.1550	0.017	2	117.6432	1.012	463	117.6444	0.993	482	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:2:3:	3:2:3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]2){3|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	119.8570	0.000	1	119.8570	0.000	1	117.6432	1.012	463	117.6444	0.993	482	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:2:3:	3:2:3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])2{2|C<4>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]C){1|C<4>,2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]C){1|C<4>,2|H<1>,3|C<3>}	118.0885	0.002	2	118.1535	0.148	10	117.6432	1.012	463	117.6444	0.993	482	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:2:3:	3:2:3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])2{2|C<4>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]C){3|C<3>,3|H<1>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]C){3|C<3>,3|H<1>}	118.1697	0.435	8	118.1535	0.148	10	117.6432	1.012	463	117.6444	0.993	482	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:2:3:	3:2:3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]F)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|F<1>,1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]F){1|F<1>,1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	117.7810	0.000	1	117.6465	0.036	2	117.6432	1.012	463	117.6444	0.993	482	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:2:3:	3:2:3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]F)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|F<1>,1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]F){1|H<1>,2|F<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	117.5120	0.000	1	117.6465	0.036	2	117.6432	1.012	463	117.6444	0.993	482	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:2:3:	3:2:3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]F)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]O)	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|F<1>,1|O<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]F){1|Br<1>,1|F<1>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]O){3|C<3>,3|H<1>}	117.1317	0.479	3	117.1317	0.230	3	117.6432	1.012	463	117.6444	0.993	482	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:2:3:	3:2:3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2{2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H){1|C<2>,2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H){1|C<2>,2|H<1>,3|C<3>}	118.0020	0.000	1	118.4861	1.200	137	117.6432	1.012	463	117.6444	0.993	482	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:2:3:	3:2:3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2{2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	117.4670	0.742	2	118.4861	1.200	137	117.6432	1.012	463	117.6444	0.993	482	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:2:3:	3:2:3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2{2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	117.6445	0.043	2	118.4861	1.200	137	117.6432	1.012	463	117.6444	0.993	482	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:2:3:	3:2:3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2{2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	120.6700	0.000	1	118.4861	1.200	137	117.6432	1.012	463	117.6444	0.993	482	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:2:3:	3:2:3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2{2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	117.8090	0.197	2	118.4861	1.200	137	117.6432	1.012	463	117.6444	0.993	482	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:2:3:	3:2:3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2{2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|S<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	117.7990	0.000	1	118.4861	1.200	137	117.6432	1.012	463	117.6444	0.993	482	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:2:3:	3:2:3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2{2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	117.5600	0.000	1	118.4861	1.200	137	117.6432	1.012	463	117.6444	0.993	482	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:2:3:	3:2:3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2{2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H){1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	117.8845	0.025	2	118.4861	1.200	137	117.6432	1.012	463	117.6444	0.993	482	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:2:3:	3:2:3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2{2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	117.7220	0.000	1	118.4861	1.200	137	117.6432	1.012	463	117.6444	0.993	482	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:2:3:	3:2:3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2{2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	117.6420	0.000	1	118.4861	1.200	137	117.6432	1.012	463	117.6444	0.993	482	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:2:3:	3:2:3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2{2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	118.6903	2.554	9	118.4861	1.200	137	117.6432	1.012	463	117.6444	0.993	482	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:2:3:	3:2:3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2{2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	118.0210	0.123	2	118.4861	1.200	137	117.6432	1.012	463	117.6444	0.993	482	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:2:3:	3:2:3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2{2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H){1|Ru<9>,1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	122.6570	0.000	1	118.4861	1.200	137	117.6432	1.012	463	117.6444	0.993	482	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:2:3:	3:2:3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2{2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H){1|S<2>,2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H){1|S<2>,2|H<1>,3|C<3>}	118.2870	0.000	1	118.4861	1.200	137	117.6432	1.012	463	117.6444	0.993	482	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:2:3:	3:2:3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2{2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H){1|Si<3>,2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H){1|Si<3>,2|H<1>,3|C<3>}	118.0470	0.000	1	118.4861	1.200	137	117.6432	1.012	463	117.6444	0.993	482	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:2:3:	3:2:3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2{2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	118.0595	0.537	39	118.4861	1.200	137	117.6432	1.012	463	117.6444	0.993	482	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:2:3:	3:2:3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2{2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	118.7718	0.897	70	118.4861	1.200	137	117.6432	1.012	463	117.6444	0.993	482	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:2:3:	3:2:3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]O)	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|H<1>,1|O<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]O){2|H<1>,4|C<3>}	117.8080	0.000	1	117.8080	0.000	1	117.6432	1.012	463	117.6444	0.993	482	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:2:3:	3:2:3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]I)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|H<1>,1|I<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]I){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	118.1300	0.000	1	118.1300	0.000	1	117.6432	1.012	463	117.6444	0.993	482	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:2:3:	3:2:3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	118.0110	0.305	2	118.0110	0.093	2	117.6432	1.012	463	117.6444	0.993	482	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:2:3:	3:2:3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	117.0080	0.000	1	117.0080	0.000	1	117.6432	1.012	463	117.6444	0.993	482	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:2:3:	3:2:3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]F)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|C<4>,1|F<1>,1|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]F){1|C<4>,1|F<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	116.1230	0.000	1	116.1230	0.000	1	117.6432	1.012	463	117.6444	0.993	482	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:2:3:	3:2:3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]F)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]F)	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|N<2>,2|F<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]F){1|F<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]F){2|F<1>,3|C<3>}	116.1860	0.206	2	116.0623	0.064	4	117.6432	1.012	463	117.6444	0.993	482	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:2:3:	3:2:3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]F)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]F)	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|N<2>,2|F<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]F){2|F<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]F){2|F<1>,3|C<3>}	115.9385	0.298	2	116.0623	0.064	4	117.6432	1.012	463	117.6444	0.993	482	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:2:3:	3:2:3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]F)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|F<1>,1|H<1>,1|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]F){2|F<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){2|C<4>,3|C<3>}	115.1920	0.000	1	115.1920	0.000	1	117.6432	1.012	463	117.6444	0.993	482	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:2:3:	3:2:3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|N<2>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){5|C<3>}	116.4670	0.000	1	116.5425	0.011	2	117.6432	1.012	463	117.6444	0.993	482	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:2:3:	3:2:3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|N<2>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){5|C<3>}	116.6180	0.000	1	116.5425	0.011	2	117.6432	1.012	463	117.6444	0.993	482	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:2:3:	3:2:3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]I)	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|H<1>,1|I<1>,1|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]I){5|C<3>}	116.8840	0.000	1	116.8840	0.000	1	117.6432	1.012	463	117.6444	0.993	482	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:2:3:	3:2:3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	116.9900	0.000	1	116.9900	0.000	1	117.6432	1.012	463	117.6444	0.993	482	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:2:3:	3:2:3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|N<2>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	116.5790	0.000	1	117.2576	0.441	249	117.6432	1.012	463	117.6444	0.993	482	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:2:3:	3:2:3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|N<2>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	116.3500	0.479	2	117.2576	0.441	249	117.6432	1.012	463	117.6444	0.993	482	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:2:3:	3:2:3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|N<2>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	117.1300	0.809	2	117.2576	0.441	249	117.6432	1.012	463	117.6444	0.993	482	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:2:3:	3:2:3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|N<2>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	116.5380	0.710	2	117.2576	0.441	249	117.6432	1.012	463	117.6444	0.993	482	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:2:3:	3:2:3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|N<2>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	116.8953	0.920	32	117.2576	0.441	249	117.6432	1.012	463	117.6444	0.993	482	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:2:3:	3:2:3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|N<2>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	117.7260	0.000	1	117.2576	0.441	249	117.6432	1.012	463	117.6444	0.993	482	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:2:3:	3:2:3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|N<2>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	117.3309	0.592	209	117.2576	0.441	249	117.6432	1.012	463	117.6444	0.993	482	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:2:3:	3:2:3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]O)	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|H<1>,1|N<2>,1|O<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]O){2|H<1>,3|C<3>}	116.9505	0.154	8	116.9505	0.024	8	117.6432	1.012	463	117.6444	0.993	482	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:2:3:	3:2:3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a,6a])(C[6a]N[6a]O)	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|H<1>,1|N<2>,1|O<1>,2|C<3>,2|N<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a,6a])(C[6a]N[6a]O){1|H<1>,4|C<3>}	117.9320	0.000	1	117.4245	0.165	8	117.6432	1.012	463	117.6444	0.993	482	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:2:3:	3:2:3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a,6a])(C[6a]N[6a]O)	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|H<1>,1|N<2>,1|O<1>,2|C<3>,2|N<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a,6a])(C[6a]N[6a]O){2|C<4>,3|C<3>}	117.4760	0.000	1	117.4245	0.165	8	117.6432	1.012	463	117.6444	0.993	482	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:2:3:	3:2:3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a,6a])(C[6a]N[6a]O)	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|H<1>,1|N<2>,1|O<1>,2|C<3>,2|N<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|H<1>,2|C<4>,3|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a,6a])(C[6a]N[6a]O){1|C<4>,1|H<1>,3|C<3>}	116.9905	0.276	2	117.4245	0.165	8	117.6432	1.012	463	117.6444	0.993	482	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:2:3:	3:2:3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a,6a])(C[6a]N[6a]O)	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|H<1>,1|N<2>,1|O<1>,2|C<3>,2|N<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|H<1>,2|C<4>,3|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a,6a])(C[6a]N[6a]O){2|C<4>,3|C<3>}	117.5018	0.372	4	117.4245	0.165	8	117.6432	1.012	463	117.6444	0.993	482	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:2:3:	3:2:3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]O[6a])(N[6a]C[6a,6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]O[6a])(N[6a]C[6a,6a])(C[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|O<2>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]O[6a])(N[6a]C[6a,6a])(C[6a]C[6a]C){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]O[6a])(N[6a]C[6a,6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	118.7940	0.000	1	118.7940	0.000	1	117.6432	1.012	463	117.6444	0.993	482	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:2:3:	3:2:3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]O[6a])(N[6a]C[6a,6a])(C[6a]C[6a]F)	C[6a,6a](C[6a,6a]C[6a]O[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|F<1>,1|H<1>,1|O<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]O[6a])(N[6a]C[6a,6a])(C[6a]C[6a]F){1|H<1>,1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]O[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	117.1350	0.000	1	117.1350	0.000	1	117.6432	1.012	463	117.6444	0.993	482	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:2:3:	3:2:3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]O[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]O[6a])(N[6a]C[6a,6a])(C[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]O[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]O[6a])(N[6a]C[6a,6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	117.7870	0.000	1	117.7870	0.000	1	117.6432	1.012	463	117.6444	0.993	482	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:2:3:	3:2:3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]O[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]O[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|O<2>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]O[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]O[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	117.6123	0.178	3	117.7680	0.212	7	117.6432	1.012	463	117.6444	0.993	482	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:2:3:	3:2:3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]O[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]O[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|O<2>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]O[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|F<1>,1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]O[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	117.3230	0.000	1	117.7680	0.212	7	117.6432	1.012	463	117.6444	0.993	482	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:2:3:	3:2:3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]O[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]O[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|O<2>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]O[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]O[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	118.7150	0.000	1	117.7680	0.212	7	117.6432	1.012	463	117.6444	0.993	482	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:2:3:	3:2:3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]O[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]O[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|O<2>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]O[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]O[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){2|O<2>,3|C<3>}	117.8980	0.000	1	117.7680	0.212	7	117.6432	1.012	463	117.6444	0.993	482	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:2:3:	3:2:3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]O[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]O[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|O<2>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]O[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]O[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){2|O<2>,3|C<3>}	117.6030	0.000	1	117.7680	0.212	7	117.6432	1.012	463	117.6444	0.993	482	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:2:3:	3:2:3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a,6a])(C[6a]N[6a]O)	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a,6a])(C[6a]N[6a]O)	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|N<2>,2|O<1>,4|N<3>}	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a,6a])(C[6a]N[6a]O){2|C<4>,3|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a,6a])(C[6a]N[6a]O){2|C<4>,3|C<3>}	117.1970	0.000	1	117.1970	0.000	1	117.6432	1.012	463	117.6444	0.993	482	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:2:3:	3:2:3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:N[6a]-2:N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a]){2|C<4>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]C){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(N[6a]C[6a]C){1|C<4>,1|N<3>,2|C<3>,2|O<1>}	118.3350	0.094	4	118.3350	0.009	4	118.1705	0.073	6	117.6444	0.993	482	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:2:3:	3:2:3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:N[6a]-2:N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a]){1|C<4>,1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(N[6a]C[6a]C){1|C<4>,1|N<3>,2|C<3>,2|O<1>}	117.7650	0.000	1	117.7650	0.000	1	118.1705	0.073	6	117.6444	0.993	482	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:2:3:	3:2:3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:N[6a]-2:N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a]){1|C<4>,1|O<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(N[6a]C[6a]C){1|C<4>,1|N<3>,2|C<3>,2|O<1>}	117.9180	0.000	1	117.9180	0.000	1	118.1705	0.073	6	117.6444	0.993	482	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:2:3:	3:2:3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]N[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]C)	C[6a,6a](N[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]N[6a,6a]C[6a]){1|C<4>,1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a,6a](N[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	118.2860	0.000	1	118.2860	0.000	1	117.9915	0.305	4	117.6444	0.993	482	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:2:3:	3:2:3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]N[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](N[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]N[6a,6a]C[6a]){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a,6a](N[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H){1|O<1>,5|C<3>}	117.8933	0.632	3	117.8933	0.400	3	117.9915	0.305	4	117.6444	0.993	482	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:2:3:	3:2:3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:N[6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(N[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a]){1|C<4>,1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(N[6a]C[6a]C){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>}	116.8995	0.022	2	116.8995	0.000	2	116.8995	0.000	2	117.6444	0.993	482	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:2:3:	3:2:3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:N[6a]-3:	C[6a,6a]-3:N[6a]-2:N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]N[6a])2	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(N[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]N[6a])2{2|C<4>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(N[6a]C[6a]C){2|C<3>,2|N<3>,2|O<1>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(N[6a]C[6a]C){2|C<3>,2|N<3>,2|O<1>}	117.4185	1.206	2	117.4185	1.454	2	116.8267	1.778	3	117.6444	0.993	482	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:2:3:	3:2:3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:N[6a]-3:	C[6a,6a]-3:N[6a]-2:N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]N[6a])2	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(N[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]N[6a])2{1|N<2>,2|C<4>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(N[6a]C[6a]C){1|C<3>,2|N<3>,2|O<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(N[6a]C[6a]C){1|C<3>,2|N<3>,2|O<1>}	115.6430	0.000	1	115.6430	0.000	1	116.8267	1.778	3	117.6444	0.993	482	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:2:3:	3:3:2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2){1|C<4>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]C){1|C<4>,2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(N[6a]C[6a,6a]){1|C<4>,1|H<1>,6|C<3>}	118.2860	0.000	1	118.6735	0.300	2	116.6522	0.434	36	116.4837	1.160	47	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:2:3:	3:3:2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2){7|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]C){2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(N[6a]C[6a,6a]){1|H<1>,7|C<3>}	119.0610	0.000	1	118.6735	0.300	2	116.6522	0.434	36	116.4837	1.160	47	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:2:3:	3:3:2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H){2|C<4>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(N[6a]C[6a,6a]){1|H<1>,7|C<3>}	118.5760	0.000	1	118.5760	0.000	1	116.6522	0.434	36	116.4837	1.160	47	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:2:3:	3:3:2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])2(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2){1|H<1>,2|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])2(N[6a]C[6a,6a]){2|N<2>,4|C<3>}	116.6503	0.178	3	116.4714	0.061	33	116.6522	0.434	36	116.4837	1.160	47	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:2:3:	3:3:2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])2(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2){1|H<1>,2|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])2(N[6a]C[6a,6a]){2|N<2>,4|C<3>}	116.4036	0.214	24	116.4714	0.061	33	116.6522	0.434	36	116.4837	1.160	47	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:2:3:	3:3:2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])2(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2){1|H<1>,2|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])2(N[6a]C[6a,6a]){2|N<2>,4|C<3>}	116.6530	0.288	6	116.4714	0.061	33	116.6522	0.434	36	116.4837	1.160	47	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:2:3:	3:3:2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]C)(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|C<2>,1|H<1>,1|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]C)(N[6a]C[6a,6a]){1|C<2>,4|C<3>}	117.0510	0.209	2	117.0510	0.044	2	115.2782	2.979	8	116.4837	1.160	47	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:2:3:	3:3:2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]Cl)(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|Cl<1>,1|H<1>,1|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]Cl)(N[6a]C[6a,6a]){5|C<3>}	116.5240	0.000	1	116.6955	0.059	2	115.2782	2.979	8	116.4837	1.160	47	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:2:3:	3:3:2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]Cl)(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|Cl<1>,1|H<1>,1|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]Cl)(N[6a]C[6a,6a]){5|C<3>}	116.8670	0.000	1	116.6955	0.059	2	115.2782	2.979	8	116.4837	1.160	47	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:2:3:	3:3:2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]C)(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|C<2>,1|H<1>,1|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|H<1>,1|I<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]C)(N[6a]C[6a,6a]){1|C<2>,4|C<3>}	113.6833	0.303	4	113.6833	0.092	4	115.2782	2.979	8	116.4837	1.160	47	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:2:3:	3:3:2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]H)(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a]){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H){1|N<3>,1|S<2>,2|C<3>,2|H<1>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]H)(N[6a]C[6a,6a]){1|O<1>,1|S<2>,4|C<3>}	117.6420	0.000	1	117.4465	0.076	2	117.4465	0.076	2	116.4837	1.160	47	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:2:3:	3:3:2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]H)(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a]){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]H)(N[6a]C[6a,6a]){1|O<1>,5|C<3>}	117.2510	0.000	1	117.4465	0.076	2	117.4465	0.076	2	116.4837	1.160	47	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:2:3:	3:3:2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]N[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](N[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]N[6a,6a]C[6a]){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a,6a](N[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(N[6a]C[6a,6a]){1|O<1>,5|C<3>}	118.1360	0.000	1	118.1360	0.000	1	118.1360	0.000	1	116.4837	1.160	47	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:3:2:	3:2:2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[3x6a]-3:N[6a]-2:O[6a]-2:	N[6a](C[6a,6a]C[3x6a]O[6a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)(N[6a]C[6a,6a])	C[6a,6a](C[3x6a]C[6a,6a]2)(N[6a]C[6a,6a])(O[6a]C[6a,6a])	N[6a](C[6a,6a]C[3x6a]O[6a])(C[6a,6a]C[6a,6a]2){6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)(N[6a]C[6a,6a]){1|H<1>,1|O<2>,6|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]2)(N[6a]C[6a,6a])(O[6a]C[6a,6a]){6|C<3>}	119.1690	0.000	1	119.1690	0.000	1	119.1690	0.000	1	116.9553	3.681	3	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:3:2:	3:2:2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a,6a])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a,6a]2){2|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a]){1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a,6a])(N[6a]C[6a]){1|C<2>,3|C<3>}	115.8485	0.108	2	115.8485	0.012	2	115.8485	0.012	2	116.9553	3.681	3	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:3:2:	3:2:3:	C[6a,6a]-3:C[6a,6a]-3:	C[5,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[5,6a]C[5,6a]S[5])(C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[5,6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,1|N<2>,1|S<2>,4|C<3>}	C[6a,6a](C[5,6a]C[5,6a]S[5])(C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]){1|H<1>,1|N<2>,1|S<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[5,6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|C<4>,1|S<2>,3|C<3>}	115.3640	0.270	3	115.3640	0.073	3	115.3640	0.073	3	117.1048	1.076	195	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:3:2:	3:2:3:	C[6a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[5a,6a]N[6a])(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[5a,6a]N[6a])(N[6a]C[6a,6a]){1|H<1>,1|S<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|F<1>,1|H<1>,3|C<3>}	116.6538	0.217	6	116.6538	0.047	6	116.5329	0.190	9	117.1048	1.076	195	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:3:2:	3:2:3:	C[6a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,6|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(N[6a]C[6a,6a]){1|I<1>,1|S<2>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	116.8430	0.000	1	116.8430	0.000	1	116.5329	0.190	9	117.1048	1.076	195	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:3:2:	3:2:3:	C[6a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]){1|C<2>,1|H<1>,2|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	115.4850	0.000	1	116.0150	0.562	2	116.5329	0.190	9	117.1048	1.076	195	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:3:2:	3:2:3:	C[6a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]){1|H<1>,2|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	116.5450	0.000	1	116.0150	0.562	2	116.5329	0.190	9	117.1048	1.076	195	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:3:2:	3:2:3:	C[6a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:N[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[5a,6a]N[6a,6a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(N[6a,6a]C[6a]2)(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[5a,6a]N[6a,6a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,1|N<3>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(N[6a,6a]C[6a]2)(N[6a]C[6a,6a]){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	117.5980	0.000	1	117.5980	0.000	1	117.5980	0.000	1	117.1048	1.076	195	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:3:2:	3:2:3:	C[6a,6a]-3:C[6a,6a]-3:	C[6,6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6,6a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6,6a,6a]C[6,6a]N[6,6a])(C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]N[6,6a]C[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6,6a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,1|N<3>,5|C<3>}	C[6a,6a](C[6,6a,6a]C[6,6a]N[6,6a])(C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]){1|H<1>,2|C<4>,5|C<3>}	C[6a,6a](C[6a,6a]N[6,6a]C[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	118.9960	0.000	1	118.9960	0.000	1	118.9960	0.000	1	117.1048	1.076	195	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:3:2:	3:2:3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[3x6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[3x6a]N[6a])(C[3x6a]C[6a,6a]2)(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[3x6a]N[6a])(C[3x6a]C[6a,6a]2)(N[6a]C[6a,6a]){1|N<2>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	118.2350	0.078	2	118.2350	0.006	2	118.2350	0.006	2	117.1048	1.076	195	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:3:2:	3:2:3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[5a,6a]N[6a])(C[5a,6a]C[5a,6a]2)(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]N[6a])(C[5a,6a]C[5a,6a]2)(N[6a]C[6a,6a]){1|N<3>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	116.5590	0.000	1	116.5155	0.051	11	116.5054	0.043	13	117.1048	1.076	195	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:3:2:	3:2:3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[5a,6a]N[6a])(C[5a,6a]C[5a,6a]2)(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]N[6a])(C[5a,6a]C[5a,6a]2)(N[6a]C[6a,6a]){1|N<3>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	116.5112	0.238	10	116.5155	0.051	11	116.5054	0.043	13	117.1048	1.076	195	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:3:2:	3:2:3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[5a,6a]C[5a,6a]2)(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[5a,6a]C[5a,6a]2)(N[6a]C[6a,6a]){1|H<1>,1|N<3>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	116.4495	0.062	2	116.4495	0.004	2	116.5054	0.043	13	117.1048	1.076	195	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:3:2:	3:2:3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6,6a,6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6,6a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[3x6a]N[6a])(C[6,6a,6a]C[6,6a]2)(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6,6a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,1|N<3>,5|C<3>}	C[6a,6a](C[6a,6a]C[3x6a]N[6a])(C[6,6a,6a]C[6,6a]2)(N[6a]C[6a,6a]){1|H<1>,1|N<3>,6|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	117.9840	0.000	1	117.9840	0.000	1	117.8403	0.020	3	117.1048	1.076	195	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:3:2:	3:2:3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6,6a,6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6,6a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[6,6a,6a]N[6a])(C[6,6a,6a]C[6,6a]2)(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6,6a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6,6a,6a]N[6a])(C[6,6a,6a]C[6,6a]2)(N[6a]C[6a,6a]){1|N<3>,6|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	117.7685	0.093	2	117.7685	0.009	2	117.8403	0.020	3	117.1048	1.076	195	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:3:2:	3:2:3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a]){1|C<4>,1|N<3>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	118.2152	2.014	4	116.7171	0.575	60	116.7215	0.559	62	117.1048	1.076	195	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:3:2:	3:2:3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a]){1|H<1>,1|N<3>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|Br<1>,1|H<1>,3|C<3>}	116.8095	0.534	4	116.7171	0.575	60	116.7215	0.559	62	117.1048	1.076	195	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:3:2:	3:2:3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a]){1|H<1>,1|N<3>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,3|C<3>}	116.2915	0.162	2	116.7171	0.575	60	116.7215	0.559	62	117.1048	1.076	195	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:3:2:	3:2:3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a]){1|H<1>,1|N<3>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|F<1>,1|H<1>,3|C<3>}	116.1248	0.434	4	116.7171	0.575	60	116.7215	0.559	62	117.1048	1.076	195	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:3:2:	3:2:3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a]){1|H<1>,1|N<3>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	116.4160	0.000	1	116.7171	0.575	60	116.7215	0.559	62	117.1048	1.076	195	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:3:2:	3:2:3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a]){1|H<1>,1|N<3>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	116.6540	0.459	45	116.7171	0.575	60	116.7215	0.559	62	117.1048	1.076	195	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:3:2:	3:2:3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a]){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a]){1|H<1>,1|O<2>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	116.8515	0.400	2	116.8515	0.160	2	116.7215	0.559	62	117.1048	1.076	195	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:3:2:	3:2:3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6,6a]N[6a])(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2){1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6,6a]N[6a])(N[6a]C[6a,6a]){1|C<4>,1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	116.9760	0.191	2	116.9760	0.036	2	117.4222	1.081	59	117.1048	1.076	195	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:3:2:	3:2:3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2){1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a]){1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|H<1>,1|S<2>,3|C<3>}	116.5455	0.132	2	116.7906	0.105	24	117.4222	1.081	59	117.1048	1.076	195	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:3:2:	3:2:3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2){1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a]){1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	116.7597	0.202	4	116.7906	0.105	24	117.4222	1.081	59	117.1048	1.076	195	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:3:2:	3:2:3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2){1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a]){1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	116.6975	0.343	10	116.7906	0.105	24	117.4222	1.081	59	117.1048	1.076	195	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:3:2:	3:2:3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2){1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a]){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|Br<1>,1|H<1>,3|C<3>}	117.1710	0.000	1	116.7906	0.105	24	117.4222	1.081	59	117.1048	1.076	195	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:3:2:	3:2:3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2){1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a]){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,3|C<3>}	116.9270	0.000	1	116.7906	0.105	24	117.4222	1.081	59	117.1048	1.076	195	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:3:2:	3:2:3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2){1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a]){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	116.5095	0.202	2	116.7906	0.105	24	117.4222	1.081	59	117.1048	1.076	195	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:3:2:	3:2:3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2){1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a]){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	117.2310	0.016	2	116.7906	0.105	24	117.4222	1.081	59	117.1048	1.076	195	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:3:2:	3:2:3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2){1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a]){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	117.0770	0.000	1	116.7906	0.105	24	117.4222	1.081	59	117.1048	1.076	195	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:3:2:	3:2:3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2){1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a]){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	117.2130	0.000	1	116.7906	0.105	24	117.4222	1.081	59	117.1048	1.076	195	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:3:2:	3:2:3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a,6a])(C[6a]N[6a]O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2){1|N<2>,1|O<1>,2|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a]){1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a,6a])(C[6a]N[6a]O){2|C<4>,3|C<3>}	117.0110	0.000	1	117.0110	0.000	1	117.4222	1.081	59	117.1048	1.076	195	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:3:2:	3:2:3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a,6a]){1|C<4>,2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	118.5190	0.000	1	118.5190	0.000	1	117.4222	1.081	59	117.1048	1.076	195	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:3:2:	3:2:3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2){7|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a,6a]){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]C){3|C<3>,3|H<1>}	119.3300	0.000	1	119.3300	0.000	1	117.4222	1.081	59	117.1048	1.076	195	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:3:2:	3:2:3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a,6a]){1|H<1>,1|N<2>,1|N<3>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	119.1070	0.000	1	117.9135	0.426	6	117.4222	1.081	59	117.1048	1.076	195	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:3:2:	3:2:3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a,6a]){1|H<1>,1|N<2>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	118.1690	0.000	1	117.9135	0.426	6	117.4222	1.081	59	117.1048	1.076	195	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:3:2:	3:2:3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a,6a]){1|H<1>,1|O<1>,1|O<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	117.6700	0.000	1	117.9135	0.426	6	117.4222	1.081	59	117.1048	1.076	195	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:3:2:	3:2:3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a,6a]){1|N<2>,3|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	117.4255	0.227	2	117.9135	0.426	6	117.4222	1.081	59	117.1048	1.076	195	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:3:2:	3:2:3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a,6a]){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	117.6840	0.000	1	117.9135	0.426	6	117.4222	1.081	59	117.1048	1.076	195	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:3:2:	3:2:3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2){1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]){1|H<1>,1|O<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	118.1125	0.105	6	118.1125	0.011	6	117.4222	1.081	59	117.1048	1.076	195	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:3:2:	3:2:3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2){1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]){1|H<1>,1|I<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	116.8570	0.000	1	117.6292	0.587	6	117.4222	1.081	59	117.1048	1.076	195	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:3:2:	3:2:3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2){1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	117.9365	0.190	2	117.6292	0.587	6	117.4222	1.081	59	117.1048	1.076	195	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:3:2:	3:2:3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2){1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	117.0945	0.190	2	117.6292	0.587	6	117.4222	1.081	59	117.1048	1.076	195	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:3:2:	3:2:3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2){1|H<1>,1|N<3>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]){2|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	118.8560	0.000	1	117.6292	0.587	6	117.4222	1.081	59	117.1048	1.076	195	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:3:2:	3:2:3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]O[6a])(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a]O[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2){1|H<1>,1|O<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]O[6a])(N[6a]C[6a,6a]){1|Br<1>,1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]O[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	118.3190	0.000	1	117.5976	0.246	5	117.4222	1.081	59	117.1048	1.076	195	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:3:2:	3:2:3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]O[6a])(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a]O[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2){1|H<1>,1|O<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]O[6a])(N[6a]C[6a,6a]){1|C<4>,1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]O[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	117.7030	0.000	1	117.5976	0.246	5	117.4222	1.081	59	117.1048	1.076	195	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:3:2:	3:2:3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]O[6a])(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a]O[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2){1|H<1>,1|O<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]O[6a])(N[6a]C[6a,6a]){1|C<4>,1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]O[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,3|C<3>}	117.1910	0.000	1	117.5976	0.246	5	117.4222	1.081	59	117.1048	1.076	195	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:3:2:	3:2:3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]O[6a])(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a]O[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2){1|H<1>,1|O<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]O[6a])(N[6a]C[6a,6a]){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]O[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	117.0730	0.000	1	117.5976	0.246	5	117.4222	1.081	59	117.1048	1.076	195	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:3:2:	3:2:3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]O[6a])(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a]O[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2){1|H<1>,1|O<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]O[6a])(N[6a]C[6a,6a]){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]O[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	117.7020	0.000	1	117.5976	0.246	5	117.4222	1.081	59	117.1048	1.076	195	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:3:2:	3:2:3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]S[6a])(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a]S[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2){1|H<1>,1|S<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]S[6a])(N[6a]C[6a,6a]){1|C<4>,1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]S[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	123.0500	0.000	1	123.0500	0.000	1	117.4222	1.081	59	117.1048	1.076	195	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:3:2:	3:2:3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]N[6a]2)(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2){1|H<1>,2|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]N[6a]2)(N[6a]C[6a,6a]){1|H<1>,1|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	115.9990	0.000	1	115.9990	0.000	1	117.4222	1.081	59	117.1048	1.076	195	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:3:2:	3:2:3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2){1|C<2>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a,6a]){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]C){1|C<2>,1|H<1>,3|C<3>}	117.6690	0.000	1	117.6690	0.000	1	117.4222	1.081	59	117.1048	1.076	195	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:3:2:	3:2:3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2){1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a,6a]){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	117.1500	0.434	2	117.3710	0.225	4	117.4222	1.081	59	117.1048	1.076	195	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:3:2:	3:2:3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2){1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a,6a]){7|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	117.5920	0.540	2	117.3710	0.225	4	117.4222	1.081	59	117.1048	1.076	195	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:3:2:	3:2:3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a,6a]2){1|C<4>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a]){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(N[6a]C[6a]C){1|N<3>,2|C<3>,2|O<1>}	116.4360	0.000	1	116.4360	0.000	1	116.4360	0.000	1	117.1048	1.076	195	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:3:2:	3:2:3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H)(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2{2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H)(N[6a]C[6a,6a]){1|H<1>,1|S<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H){1|S<1>,2|H<1>,3|C<3>}	122.6790	0.000	1	122.6790	0.000	1	117.1083	1.374	29	117.1048	1.076	195	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:3:2:	3:2:3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5,6a]C)(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|C<2>,1|H<1>,1|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5,6a]C)(N[6a]C[6a,6a]){1|C<2>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	117.2540	0.132	2	117.2540	0.017	2	117.1083	1.374	29	117.1048	1.076	195	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:3:2:	3:2:3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5,6a]H)(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|N<2>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5,6a]H)(N[6a]C[6a,6a]){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|F<1>,1|H<1>,3|C<3>}	116.6840	0.153	2	116.6840	0.023	2	117.1083	1.374	29	117.1048	1.076	195	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:3:2:	3:2:3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5a,6a]H)(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|N<2>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5a,6a]H)(N[6a]C[6a,6a]){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	117.1290	0.000	1	116.9605	0.057	2	117.1083	1.374	29	117.1048	1.076	195	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:3:2:	3:2:3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5a,6a]H)(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|N<2>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5a,6a]H)(N[6a]C[6a,6a]){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	116.7920	0.000	1	116.9605	0.057	2	117.1083	1.374	29	117.1048	1.076	195	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:3:2:	3:2:3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6,6a]H)(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|N<2>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6,6a]H)(N[6a]C[6a,6a]){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	116.3785	0.193	2	116.3785	0.037	2	117.1083	1.374	29	117.1048	1.076	195	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:3:2:	3:2:3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]C)(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]C)(N[6a]C[6a,6a]){1|Cl<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	116.6050	0.191	2	116.6050	0.036	2	117.1083	1.374	29	117.1048	1.076	195	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:3:2:	3:2:3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]C)(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]Cl)	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|Cl<1>,1|C<2>,1|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]C)(N[6a]C[6a,6a]){1|C<2>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]Cl){1|Cl<1>,1|H<1>,3|C<3>}	117.2810	0.316	4	117.4635	0.104	8	117.1083	1.374	29	117.1048	1.076	195	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:3:2:	3:2:3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]C)(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]Cl)	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|Cl<1>,1|C<2>,1|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]C)(N[6a]C[6a,6a]){1|C<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]Cl){2|Cl<1>,3|C<3>}	117.6460	0.231	4	117.4635	0.104	8	117.1083	1.374	29	117.1048	1.076	195	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:3:2:	3:2:3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]C)(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|C<2>,1|H<1>,1|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]C)(N[6a]C[6a,6a]){1|C<2>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	116.7360	0.147	2	116.6254	0.135	7	117.1083	1.374	29	117.1048	1.076	195	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:3:2:	3:2:3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]C)(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|C<2>,1|H<1>,1|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]C)(N[6a]C[6a,6a]){1|C<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	116.4080	0.000	1	116.6254	0.135	7	117.1083	1.374	29	117.1048	1.076	195	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:3:2:	3:2:3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]C)(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]C)(N[6a]C[6a,6a]){1|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	116.6245	0.489	4	116.6254	0.135	7	117.1083	1.374	29	117.1048	1.076	195	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:3:2:	3:2:3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|N<2>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(N[6a]C[6a,6a]){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	116.6640	0.010	2	116.6640	0.000	2	117.1083	1.374	29	117.1048	1.076	195	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:3:2:	3:2:3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6,6a]H)(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a]O[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|O<2>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6,6a]H)(N[6a]C[6a,6a]){1|H<1>,1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]O[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,3|C<3>}	116.2830	0.000	1	116.2830	0.000	1	117.1083	1.374	29	117.1048	1.076	195	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:3:2:	3:2:3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]N[6a,6a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[3x6a]C[6a])(N[6a,6a]C[6a]2)(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]N[6a,6a])(C[6a,6a]C[6a,6a]C[6a]){1|C<4>,6|C<3>}	C[6a,6a](C[6a,6a]C[3x6a]C[6a])(N[6a,6a]C[6a]2)(N[6a]C[6a,6a]){1|H<1>,2|O<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	119.8640	0.000	1	119.8640	0.000	1	118.7754	0.307	10	117.1048	1.076	195	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:3:2:	3:2:3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]N[6a,6a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[3x6a]C[6a])(N[6a,6a]C[6a]2)(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]N[6a,6a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[3x6a]C[6a])(N[6a,6a]C[6a]2)(N[6a]C[6a,6a]){1|H<1>,2|O<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	119.1385	0.237	2	119.1385	0.056	2	118.7754	0.307	10	117.1048	1.076	195	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:3:2:	3:2:3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]N[6a,6a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6,6a]C[6a])(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]N[6a,6a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6,6a]C[6a])(N[6a]C[6a,6a]){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	118.8560	0.000	1	118.8560	0.000	1	118.7754	0.307	10	117.1048	1.076	195	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:3:2:	3:2:3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]N[6a,6a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a]2)(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]N[6a,6a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a]2)(N[6a]C[6a,6a]){1|H<1>,1|N<3>,2|O<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	118.8400	0.000	1	118.4595	0.131	6	118.7754	0.307	10	117.1048	1.076	195	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:3:2:	3:2:3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]N[6a,6a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a]2)(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]N[6a,6a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a]2)(N[6a]C[6a,6a]){1|H<1>,1|O<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	118.3834	0.347	5	118.4595	0.131	6	118.7754	0.307	10	117.1048	1.076	195	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:3:2:	3:2:3:	C[6a,6a]-3:C[6a,6a]-3:	N[5a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](N[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,6|C<3>}	C[6a,6a](N[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(N[6a]C[6a,6a]){1|C<4>,1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>}	117.6170	0.000	1	117.6170	0.000	1	117.2140	0.325	2	117.1048	1.076	195	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:3:2:	3:2:3:	C[6a,6a]-3:C[6a,6a]-3:	N[5a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]O)	N[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a,6a]C[6a,6a]C[6a]){1|O<2>,6|C<3>}	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(N[6a]C[6a,6a]){1|N<2>,3|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]O){1|N<3>,2|C<3>,3|H<1>}	116.8110	0.000	1	116.8110	0.000	1	117.2140	0.325	2	117.1048	1.076	195	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:3:2:	3:3:2:	C[6a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[5a,6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[5a,6a]C[6a,6a])2	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[5a,6a]N[6a])(N[6a]C[6a,6a])	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[5a,6a]N[6a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[5a,6a]C[6a,6a])2{1|N<2>,6|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[5a,6a]N[6a])(N[6a]C[6a,6a]){1|H<1>,1|S<2>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[5a,6a]N[6a])(N[6a]C[6a,6a]){1|H<1>,1|S<2>,5|C<3>}	116.1395	1.671	2	116.1395	2.792	2	116.1360	1.396	3	117.2174	0.865	52	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:3:2:	3:3:2:	C[6a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[5a,6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[5a,6a]C[6a,6a])2	C[6a,6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[5a,6a]N[6a])(N[6a]C[6a,6a])	C[6a,6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[5a,6a]N[6a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[5a,6a]C[6a,6a])2{1|N<2>,2|S<2>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[5a,6a]N[6a])(N[6a]C[6a,6a]){1|S<2>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[5a,6a]N[6a])(N[6a]C[6a,6a]){1|S<2>,5|C<3>}	116.1290	0.000	1	116.1290	0.000	1	116.1360	1.396	3	117.2174	0.865	52	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:3:2:	3:3:2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[5,6a]-3:N[6a]-2:	C[5a,6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[5,6a])	C[6a,6a](C[6a,6a]C[5,6a]N[6a])(C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a])	C[6a,6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[5a,6a]N[6a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[5,6a]){1|C<2>,1|N<2>,1|S<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[5,6a]N[6a])(C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a]){1|C<2>,1|S<2>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[5a,6a]N[6a])(N[6a]C[6a,6a]){1|S<2>,5|C<3>}	116.7950	0.038	2	116.7950	0.001	2	116.7950	0.001	2	117.2174	0.865	52	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:3:2:	3:3:2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6,6a])2	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6,6a])2{1|N<2>,6|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a]){1|H<1>,1|N<3>,5|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a]){1|H<1>,1|N<3>,5|C<3>}	117.4450	0.075	2	117.4450	0.006	2	117.3953	0.010	3	117.2174	0.865	52	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:3:2:	3:3:2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6,6a])2	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6,6a])2{1|C<4>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a]){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a]){1|H<1>,1|N<3>,5|C<3>}	117.2960	0.000	1	117.2960	0.000	1	117.3953	0.010	3	117.2174	0.865	52	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:3:2:	3:3:2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a]){1|H<1>,1|N<3>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(N[6a]C[6a,6a]){1|H<1>,4|C<3>}	117.1131	0.277	8	117.1131	0.077	8	117.1131	0.077	8	117.2174	0.865	52	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:3:2:	3:3:2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6,6a]N[6a])(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]2){1|N<2>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6,6a]N[6a])(N[6a]C[6a,6a]){1|C<4>,1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a]){1|H<1>,1|N<3>,5|C<3>}	117.3790	0.000	1	117.3790	0.000	1	117.1253	0.051	3	117.2174	0.865	52	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:3:2:	3:3:2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]2){1|N<2>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a]){1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a]){1|H<1>,1|N<3>,5|C<3>}	116.9985	0.077	2	116.9985	0.006	2	117.1253	0.051	3	117.2174	0.865	52	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:3:2:	3:3:2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]2)2	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]2)2{1|N<2>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a]){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a]){1|H<1>,6|C<3>}	118.2860	0.000	1	118.2860	0.000	1	117.1550	0.326	7	117.2174	0.865	52	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:3:2:	3:3:2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]2)2	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]2)2{1|N<2>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]){2|H<1>,5|C<3>}	116.9665	0.304	6	116.9665	0.092	6	117.1550	0.326	7	117.2174	0.865	52	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:3:2:	3:3:2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6,6a]H)(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2){1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a]){1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6,6a]H)(N[6a]C[6a,6a]){1|C<4>,1|H<1>,3|C<3>}	116.8240	0.188	4	116.8240	0.035	4	117.2168	0.183	16	117.2174	0.865	52	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:3:2:	3:3:2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]C)(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2){1|C<2>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a]){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]C)(N[6a]C[6a,6a]){1|C<2>,4|C<3>}	117.5890	0.075	2	117.5890	0.006	2	117.2168	0.183	16	117.2174	0.865	52	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:3:2:	3:3:2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2){1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a]){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(N[6a]C[6a,6a]){1|H<1>,1|N<2>,3|C<3>}	117.0745	0.163	4	117.0745	0.027	4	117.2168	0.183	16	117.2174	0.865	52	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:3:2:	3:3:2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]C)(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2){1|C<2>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]C)(N[6a]C[6a,6a]){1|C<2>,4|C<3>}	117.0935	0.090	2	117.0935	0.008	2	117.2168	0.183	16	117.2174	0.865	52	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:3:2:	3:3:2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5,6a]H)(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2){1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a,6a]){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5,6a]H)(N[6a]C[6a,6a]){1|H<1>,1|N<3>,3|C<3>}	118.0440	0.385	2	118.0440	0.148	2	117.2168	0.183	16	117.2174	0.865	52	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:3:2:	3:3:2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]C)(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2){1|C<2>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a,6a]){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]C)(N[6a]C[6a,6a]){1|C<2>,4|C<3>}	117.2105	0.139	2	117.2105	0.019	2	117.2168	0.183	16	117.2174	0.865	52	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:3:2:	3:3:2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5,6a]H)(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])2(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2){1|H<1>,2|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5,6a]H)(N[6a]C[6a,6a]){1|H<1>,1|S<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])2(N[6a]C[6a,6a]){1|N<2>,5|C<3>}	116.6770	0.146	2	116.6770	0.021	2	118.6073	2.298	6	117.2174	0.865	52	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:3:2:	3:3:2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5a,6a]C[5a])(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2){1|N<2>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5a,6a]C[5a])(N[6a]C[6a,6a]){1|N<2>,1|S<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a,6a]){1|H<1>,6|C<3>}	119.5725	0.312	4	119.5725	0.097	4	118.6073	2.298	6	117.2174	0.865	52	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:3:2:	3:3:2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]Cl)(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]Cl)(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])2{2|Cl<1>,1|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]Cl)(N[6a]C[6a,6a]){1|Cl<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]Cl)(N[6a]C[6a,6a]){1|Cl<1>,4|C<3>}	117.2160	0.000	1	117.2160	0.000	1	117.2160	0.000	1	117.2174	0.865	52	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:3:2:	3:3:2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]N[6a])2	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a,6a]H)(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a,6a]H)(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])2{1|N<2>,2|C<3>,2|H<1>,2|N<3>}	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a,6a]H)(N[6a]C[6a,6a]){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a,6a]H)(N[6a]C[6a,6a]){1|N<3>,4|C<3>}	115.2060	0.000	1	115.2060	0.000	1	115.2060	0.000	1	117.2174	0.865	52	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:3:2:	3:3:2:	C[6a,6a]-3:C[6a,6a]-3:	N[5a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](N[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H)(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,6|C<3>}	C[6a,6a](N[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(N[6a]C[6a,6a]){1|C<4>,1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H)(N[6a]C[6a,6a]){1|N<3>,2|H<1>,3|C<3>}	118.0250	0.000	1	118.0250	0.000	1	118.0250	0.000	1	117.2174	0.865	52	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:3:2:	3:3:2:	C[6a,6a]-3:C[6a,6a]-3:	N[6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]N[6a])2	C[6a,6a](N[6a]C[6a,6a]C[6a])(C[6a,6a]N[6a]2)(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a,6a]H)(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])2{1|H<1>,1|N<2>,2|N<3>,3|C<3>}	C[6a,6a](N[6a]C[6a,6a]C[6a])(C[6a,6a]N[6a]2)(N[6a]C[6a,6a]){1|H<1>,1|N<3>,5|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a,6a]H)(N[6a]C[6a,6a]){1|H<1>,1|N<3>,3|C<3>}	115.1950	0.000	1	115.1950	0.000	1	115.1950	0.000	1	117.2174	0.865	52	117.3915	1.121	808	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:2:2:	2:2:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	N[6a]-2:N[6a]-2:Cl-1:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]Cl)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(Cl)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]Cl){3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2{2|Cl<1>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(Cl){1|C<3>,1|N<2>,1|N<3>}	113.8460	0.000	1	113.8460	0.000	1	113.8460	0.000	1	115.4883	2.109	30	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:2:2:	2:2:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(H)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]H){3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2{1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>}	115.9300	0.000	1	115.9300	0.000	1	115.2527	0.587	3	115.4883	2.109	30	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:2:2:	2:2:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]H)	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(N[6a]C[6a])2	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(H)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]H){1|N<3>,2|C<3>}	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(N[6a]C[6a])2{1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(H){1|C<3>,1|N<2>,1|N<3>}	114.9140	0.697	2	114.9140	0.486	2	115.2527	0.587	3	115.4883	2.109	30	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:2:2:	2:2:1:	C[6a,6a]-3:C[6a]-3:	N[3x6a]-3:N[6a]-2:N[6a]-2:	N[6a]-2:N[6a]-2:Cl-1:	N[6a](C[6a,6a]N[3x6a]N[6a])(C[6a]N[6a]Cl)	C[6a,6a](N[3x6a]C[6a,6a]2)(N[6a]C[6a])2	C[6a](N[6a]C[6a,6a])2(Cl)	N[6a](C[6a,6a]N[3x6a]N[6a])(C[6a]N[6a]Cl){3|C<3>}	C[6a,6a](N[3x6a]C[6a,6a]2)(N[6a]C[6a])2{1|Cl<1>,1|N<3>,4|N<2>}	C[6a](N[6a]C[6a,6a])2(Cl){1|N<3>,2|N<2>}	114.6460	0.192	2	115.0651	0.188	23	115.0651	0.188	23	115.4883	2.109	30	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:2:2:	2:2:1:	C[6a,6a]-3:C[6a]-3:	N[3x6a]-3:N[6a]-2:N[6a]-2:	N[6a]-2:N[6a]-2:Cl-1:	N[6a](C[6a,6a]N[3x6a]N[6a])(C[6a]N[6a]Cl)	C[6a,6a](N[3x6a]C[6a,6a]2)(N[6a]C[6a])2	C[6a](N[6a]C[6a,6a])2(Cl)	N[6a](C[6a,6a]N[3x6a]N[6a])(C[6a]N[6a]Cl){3|C<3>}	C[6a,6a](N[3x6a]C[6a,6a]2)(N[6a]C[6a])2{2|Cl<1>,4|N<2>}	C[6a](N[6a]C[6a,6a])2(Cl){1|N<3>,2|N<2>}	115.1050	0.430	21	115.0651	0.188	23	115.0651	0.188	23	115.4883	2.109	30	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:2:2:	2:2:1:	C[6a,6a]-3:C[6a]-3:	N[6,6a,6a]-3:N[6a]-2:N[6a]-2:	N[6a]-2:N[6a]-2:O-1:	N[6a](C[6a,6a]N[6,6a,6a]N[6a])(C[6a]N[6a]O)	C[6a,6a](N[6,6a,6a]C[6,6a]2)(N[6a]C[6a])2	C[6a](N[6a]C[6a,6a])(N[6a]C[6,6a])(O)	N[6a](C[6a,6a]N[6,6a,6a]N[6a])(C[6a]N[6a]O){3|C<3>}	C[6a,6a](N[6,6a,6a]C[6,6a]2)(N[6a]C[6a])2{1|N<3>,2|O<1>,3|N<2>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6,6a])(O){1|N<3>,2|N<2>}	119.5157	0.327	3	119.5157	0.107	3	119.5157	0.107	3	115.4883	2.109	30	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:2:2:	2:2:2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	N[6a]-2:N[6a]-2:S-2:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]S)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(SC)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]S){3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(N[6a]C[6a]){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|S<2>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(SC){1|C<3>,1|N<2>,1|N<3>}	114.9100	0.000	1	114.9100	0.000	1	114.9100	0.000	1	115.6227	0.748	3	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:2:2:	2:2:2:	C[6a,6a]-3:C[6a]-3:	N[3x6a]-3:N[6a]-2:N[6a]-2:	N[6a]-2:N[6a]-2:N-2:	N[6a](C[6a,6a]N[3x6a]N[6a])(C[6a]N[6a]N)	C[6a,6a](N[3x6a]C[6a,6a]2)(N[6a]C[6a])2	C[6a](N[6a]C[6a,6a])2(NN)	N[6a](C[6a,6a]N[3x6a]N[6a])(C[6a]N[6a]N){3|C<3>}	C[6a,6a](N[3x6a]C[6a,6a]2)(N[6a]C[6a])2{6|N<2>}	C[6a](N[6a]C[6a,6a])2(NN){1|N<3>,2|N<2>}	115.9790	0.857	2	115.9790	0.734	2	115.9790	0.734	2	115.6227	0.748	3	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:2:2:	2:2:3:	C[6a,6a]-3:C[6a]-3:	C[3x6a]-3:N[6a]-2:N[6a]-2:	N[6a]-2:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a]N[6a])	C[6a,6a](C[3x6a]C[6a,6a]2)(N[6a]C[6a])2	C[6a](N[6a]C[6a,6a])2(C[6a]C[6a]2)	N[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a]N[6a]){5|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]2)(N[6a]C[6a])2{1|N<3>,2|C<3>,3|N<2>}	C[6a](N[6a]C[6a,6a])2(C[6a]C[6a]2){2|H<1>,2|N<2>,3|C<3>}	115.7545	0.532	2	115.7545	0.284	2	115.7545	0.284	2	116.1869	0.655	14	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:2:2:	2:2:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]N)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a])2	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(NHH)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]N){1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a])2{1|C<3>,1|N<2>,3|N<3>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(NHH){1|C<3>,1|N<2>,1|N<3>}	115.1773	0.081	3	115.1773	0.007	3	115.1773	0.007	3	116.1869	0.655	14	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:2:2:	2:2:3:	C[6a,6a]-3:C[6a]-3:	N[3x6a]-3:N[6a]-2:N[6a]-2:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a,6a]N[3x6a]N[6a])(C[6a]N[6a]N)	C[6a,6a](N[3x6a]C[6a,6a]2)(N[6a]C[6a])2	C[6a](N[6a]C[6a,6a])2(NC[6a]2)	N[6a](C[6a,6a]N[3x6a]N[6a])(C[6a]N[6a]N){3|C<3>}	C[6a,6a](N[3x6a]C[6a,6a]2)(N[6a]C[6a])2{1|Cl<1>,1|N<3>,4|N<2>}	C[6a](N[6a]C[6a,6a])2(NC[6a]2){1|N<3>,2|N<2>}	115.8510	0.054	2	116.4550	0.311	7	116.4550	0.311	7	116.1869	0.655	14	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:2:2:	2:2:3:	C[6a,6a]-3:C[6a]-3:	N[3x6a]-3:N[6a]-2:N[6a]-2:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a,6a]N[3x6a]N[6a])(C[6a]N[6a]N)	C[6a,6a](N[3x6a]C[6a,6a]2)(N[6a]C[6a])2	C[6a](N[6a]C[6a,6a])2(NC[6a]2)	N[6a](C[6a,6a]N[3x6a]N[6a])(C[6a]N[6a]N){3|C<3>}	C[6a,6a](N[3x6a]C[6a,6a]2)(N[6a]C[6a])2{1|O<1>,2|N<3>,3|N<2>}	C[6a](N[6a]C[6a,6a])2(NC[6a]2){1|N<3>,2|N<2>}	117.0850	0.000	1	116.4550	0.311	7	116.4550	0.311	7	116.1869	0.655	14	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:2:2:	2:2:3:	C[6a,6a]-3:C[6a]-3:	N[3x6a]-3:N[6a]-2:N[6a]-2:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a,6a]N[3x6a]N[6a])(C[6a]N[6a]N)	C[6a,6a](N[3x6a]C[6a,6a]2)(N[6a]C[6a])2	C[6a](N[6a]C[6a,6a])2(NC[6a]2)	N[6a](C[6a,6a]N[3x6a]N[6a])(C[6a]N[6a]N){3|C<3>}	C[6a,6a](N[3x6a]C[6a,6a]2)(N[6a]C[6a])2{2|N<3>,4|N<2>}	C[6a](N[6a]C[6a,6a])2(NC[6a]2){1|N<3>,2|N<2>}	116.8300	0.059	2	116.4550	0.311	7	116.4550	0.311	7	116.1869	0.655	14	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:2:2:	2:2:3:	C[6a,6a]-3:C[6a]-3:	N[3x6a]-3:N[6a]-2:N[6a]-2:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a,6a]N[3x6a]N[6a])(C[6a]N[6a]N)	C[6a,6a](N[3x6a]C[6a,6a]2)(N[6a]C[6a])2	C[6a](N[6a]C[6a,6a])2(NC[6a]2)	N[6a](C[6a,6a]N[3x6a]N[6a])(C[6a]N[6a]N){3|C<3>}	C[6a,6a](N[3x6a]C[6a,6a]2)(N[6a]C[6a])2{3|N<2>,3|N<3>}	C[6a](N[6a]C[6a,6a])2(NC[6a]2){1|N<2>,2|N<3>}	116.8370	0.000	1	116.4550	0.311	7	116.4550	0.311	7	116.1869	0.655	14	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:2:2:	2:2:3:	C[6a,6a]-3:C[6a]-3:	N[3x6a]-3:N[6a]-2:N[6a]-2:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a,6a]N[3x6a]N[6a])(C[6a]N[6a]N)	C[6a,6a](N[3x6a]C[6a,6a]2)(N[6a]C[6a])2	C[6a](N[6a]C[6a,6a])2(NC[6a]2)	N[6a](C[6a,6a]N[3x6a]N[6a])(C[6a]N[6a]N){3|C<3>}	C[6a,6a](N[3x6a]C[6a,6a]2)(N[6a]C[6a])2{3|N<2>,3|N<3>}	C[6a](N[6a]C[6a,6a])2(NC[6a]2){1|N<3>,2|N<2>}	115.9010	0.000	1	116.4550	0.311	7	116.4550	0.311	7	116.1869	0.655	14	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:2:2:	2:2:3:	C[6a,6a]-3:C[6a]-3:	N[6a,6a]-3:N[6a]-2:N[6a]-2:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a,6a]N[6a,6a]N[6a])(C[6a]N[6a]N)	C[6a,6a](N[6a,6a]C[6a]2)(N[6a]C[6a])2	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(NCC)	N[6a](C[6a,6a]N[6a,6a]N[6a])(C[6a]N[6a]N){3|C<3>}	C[6a,6a](N[6a,6a]C[6a]2)(N[6a]C[6a])2{1|C<3>,1|N<2>,1|N<3>,1|O<1>,2|C<4>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(NCC){1|C<4>,1|N<2>,1|N<3>}	117.6320	0.000	1	117.1950	0.382	2	117.1950	0.382	2	116.1869	0.655	14	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:2:2:	2:2:3:	C[6a,6a]-3:C[6a]-3:	N[6a,6a]-3:N[6a]-2:N[6a]-2:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a,6a]N[6a,6a]N[6a])(C[6a]N[6a]N)	C[6a,6a](N[6a,6a]C[6a]2)(N[6a]C[6a])2	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(NCC)	N[6a](C[6a,6a]N[6a,6a]N[6a])(C[6a]N[6a]N){3|C<3>}	C[6a,6a](N[6a,6a]C[6a]2)(N[6a]C[6a])2{1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|C<3>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(NCC){1|C<3>,1|N<2>,1|N<3>}	116.7580	0.000	1	117.1950	0.382	2	117.1950	0.382	2	116.1869	0.655	14	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:2:2:	2:2:4:	C[6a,6a]-3:C[6a]-3:	C[3x6a]-3:N[6a]-2:N[6a]-2:	N[6a]-2:N[6a]-2:C-4:	N[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]N[6a]C)	C[6a,6a](C[3x6a]C[6a,6a]2)(N[6a]C[6a])2	C[6a](N[6a]C[6a,6a])2(CC3)	N[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]N[6a]C){3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]2)(N[6a]C[6a])2{2|C<4>,4|N<2>}	C[6a](N[6a]C[6a,6a])2(CC3){1|C<3>,2|N<2>}	115.6582	0.167	6	115.6582	0.028	6	115.6582	0.028	6	116.3860	1.292	9	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:2:2:	2:2:4:	C[6a,6a]-3:C[6a]-3:	N[3x6a]-3:N[6a]-2:N[6a]-2:	N[6a]-2:N[6a]-2:C-4:	N[6a](C[6a,6a]N[3x6a]N[6a])(C[6a]N[6a]C)	C[6a,6a](N[3x6a]C[6a,6a]2)(N[6a]C[6a])2	C[6a](N[6a]C[6a,6a])2(CC3)	N[6a](C[6a,6a]N[3x6a]N[6a])(C[6a]N[6a]C){3|C<3>}	C[6a,6a](N[3x6a]C[6a,6a]2)(N[6a]C[6a])2{2|C<3>,2|C<4>,2|N<2>}	C[6a](N[6a]C[6a,6a])2(CC3){1|C<3>,1|N<2>,1|N<3>}	118.5070	0.000	1	118.5070	0.000	1	118.5070	0.000	1	116.3860	1.292	9	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:2:2:	2:2:4:	C[6a,6a]-3:C[6a]-3:	N[6a,6a]-3:N[6a]-2:N[6a]-2:	N[6a]-2:N[6a]-2:C-4:	N[6a](C[6a,6a]N[6a,6a]N[6a])(C[6a]N[6a]C)	C[6a,6a](N[6a,6a]C[6a]2)(N[6a]C[6a])2	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(CH3)	N[6a](C[6a,6a]N[6a,6a]N[6a])(C[6a]N[6a]C){3|C<3>}	C[6a,6a](N[6a,6a]C[6a]2)(N[6a]C[6a])2{1|C<3>,1|N<2>,1|N<3>,1|O<1>,2|C<4>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(CH3){1|N<2>,2|N<3>}	117.5090	0.000	2	117.5090	0.000	2	117.5090	0.000	2	116.3860	1.292	9	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:2:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	N[6a]-2:C[6a]-3:Cl-1:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(Cl)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl){1|C<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2{2|Cl<1>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(Cl){1|C<3>,1|H<1>,1|N<2>}	117.8960	0.000	1	117.8960	0.000	1	117.0593	0.527	3	116.8548	1.700	21	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:2:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	N[6a]-2:C[6a]-3:Cl-1:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(Cl)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2{1|Cl<1>,1|C<4>,1|H<1>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<2>}	116.6830	0.000	1	116.6410	0.004	2	117.0593	0.527	3	116.8548	1.700	21	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:2:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	N[6a]-2:C[6a]-3:Cl-1:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(Cl)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2{1|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<2>}	116.5990	0.000	1	116.6410	0.004	2	117.0593	0.527	3	116.8548	1.700	21	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:2:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5,6a])(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5,6a])(N[6a]C[6a]){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	116.8100	0.000	1	116.8100	0.000	1	117.1797	2.317	12	116.8548	1.700	21	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:2:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(N[6a]C[6a]){1|N<2>,2|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	117.1620	0.000	2	117.1620	0.000	2	117.1797	2.317	12	116.8548	1.700	21	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:2:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(H)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H){4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2{1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(H){1|C<3>,1|N<2>,1|O<2>}	121.3430	0.000	1	121.3430	0.000	1	117.1797	2.317	12	116.8548	1.700	21	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:2:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2{1|C<4>,2|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	116.8910	0.000	1	116.5588	0.988	5	117.1797	2.317	12	116.8548	1.700	21	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:2:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2{1|N<2>,2|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	114.8210	0.000	1	116.5588	0.988	5	117.1797	2.317	12	116.8548	1.700	21	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:2:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	117.2450	0.000	1	116.5588	0.988	5	117.1797	2.317	12	116.8548	1.700	21	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:2:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2{1|N<3>,2|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	116.9185	0.302	2	116.5588	0.988	5	117.1797	2.317	12	116.8548	1.700	21	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:2:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6a])(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6a])(N[6a]C[6a]){2|H<1>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	118.0670	0.000	1	118.0670	0.000	1	117.1797	2.317	12	116.8548	1.700	21	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:2:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a])2	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(H)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H){1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a])2{1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(H){1|C<3>,1|N<2>}	116.1230	0.000	1	116.1230	0.000	1	117.1797	2.317	12	116.8548	1.700	21	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:2:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a])2	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a])2{1|C<3>,1|H<1>,1|O<1>,2|N<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(H){1|C<3>,1|N<2>}	116.6960	0.000	1	116.6960	0.000	1	117.1797	2.317	12	116.8548	1.700	21	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:2:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	N[6a]-2:N[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(H)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]H){1|C<4>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(N[6a]C[6a]){1|C<3>,1|N<2>,1|N<3>,1|O<1>,2|H<1>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(H){1|C<3>,1|N<2>,1|O<1>}	116.5220	0.000	2	116.5220	0.000	2	116.5220	0.000	2	116.8548	1.700	21	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:2:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:S[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]S[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])(S[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]S[6a])(C[6a]C[6a]H){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])(S[6a]C[6a]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<2>}	115.2070	0.520	2	115.2070	0.271	2	115.2070	0.271	2	116.8548	1.700	21	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:2:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:O[6a]-2:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(O[6a]C[6a,6a])(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]H){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(O[6a]C[6a,6a])(N[6a]C[6a]){1|H<1>,1|I<1>,1|O<1>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|C<3>,1|I<1>,1|O<2>}	116.5820	0.000	1	116.5820	0.000	1	116.5820	0.000	1	116.8548	1.700	21	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:2:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:S[6a]-2:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]S[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(S[6a]C[6a,6a])(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]S[6a])(C[6a]C[6a]H){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(S[6a]C[6a,6a])(N[6a]C[6a]){1|O<1>,2|H<1>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<2>}	116.5750	0.000	1	116.5750	0.000	1	116.5750	0.000	1	116.8548	1.700	21	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:2:2:	2:3:2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	N[6a]-2:C[6a]-3:C-2:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CC)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2{1|C<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CC){1|C<3>,1|H<1>,1|N<2>}	117.2350	0.000	1	117.4787	0.138	3	116.2187	0.577	15	116.7055	0.914	30	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:2:2:	2:3:2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	N[6a]-2:C[6a]-3:C-2:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CC)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2{2|C<2>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CC){1|C<3>,1|H<1>,1|N<2>}	117.6005	0.432	2	117.4787	0.138	3	116.2187	0.577	15	116.7055	0.914	30	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:2:2:	2:3:2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	N[6a]-2:C[6a]-3:C-2:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[5,6a])(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CN)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C){1|C<2>,1|C<3>,2|N<2>}	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[5,6a])(N[6a]C[6a]){1|C<2>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CN){1|C<3>,1|N<2>}	116.3557	0.107	3	116.3557	0.011	3	116.2187	0.577	15	116.7055	0.914	30	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:2:2:	2:3:2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	N[6a]-2:C[6a]-3:C-2:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6,6a])(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CN)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C){1|C<2>,1|C<3>,2|N<2>}	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6,6a])(N[6a]C[6a]){1|C<2>,1|N<3>,2|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CN){1|C<3>,1|N<2>}	116.2420	0.000	1	116.2420	0.000	1	116.2187	0.577	15	116.7055	0.914	30	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:2:2:	2:3:2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	N[6a]-2:C[6a]-3:C-2:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a,6a])(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CN)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C){1|C<2>,1|C<3>,2|N<2>}	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a,6a])(N[6a]C[6a]){1|C<2>,1|N<2>,2|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CN){1|C<3>,1|N<2>}	115.6995	0.402	4	115.6510	0.107	6	116.2187	0.577	15	116.7055	0.914	30	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:2:2:	2:3:2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	N[6a]-2:C[6a]-3:C-2:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a,6a])(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CN)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C){1|C<2>,1|C<3>,2|N<2>}	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a,6a])(N[6a]C[6a]){1|C<2>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CN){1|C<3>,1|N<2>}	115.5540	0.156	2	115.6510	0.107	6	116.2187	0.577	15	116.7055	0.914	30	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:2:2:	2:3:2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	N[6a]-2:C[6a]-3:C-2:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a])2	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CN)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C){1|C<2>,1|C<3>,2|N<2>}	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a])2{1|C<2>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CN){1|C<3>,1|N<2>}	115.8150	0.406	2	115.8150	0.165	2	116.2187	0.577	15	116.7055	0.914	30	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:2:2:	2:3:2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	N[6a]-2:C[6a]-3:N-2:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NC)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2{1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NC){1|C<3>,1|H<1>,1|N<2>}	117.9240	0.105	4	118.0137	0.033	6	117.5974	0.474	9	116.7055	0.914	30	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:2:2:	2:3:2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	N[6a]-2:C[6a]-3:N-2:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NC)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2{2|C<3>,2|H<1>,2|N<2>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NC){1|C<3>,1|H<1>,1|N<2>}	118.1930	0.182	2	118.0137	0.033	6	117.5974	0.474	9	116.7055	0.914	30	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:2:2:	2:3:2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	N[6a]-2:C[6a]-3:N-2:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NN)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2{1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NN){1|C<3>,1|H<1>,1|N<2>}	116.7650	0.504	3	116.7650	0.254	3	117.5974	0.474	9	116.7055	0.914	30	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:2:2:	2:3:2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	N[6a]-2:C[6a]-3:O-2:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(OC[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(OC[6a]){1|C<3>,1|H<1>,1|N<2>}	117.3700	0.000	1	116.7165	0.854	2	116.4503	0.640	3	116.7055	0.914	30	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:2:2:	2:3:2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	N[6a]-2:C[6a]-3:O-2:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(OC[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2{1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(OC[6a]){1|C<3>,1|H<1>,1|N<2>}	116.0630	0.000	1	116.7165	0.854	2	116.4503	0.640	3	116.7055	0.914	30	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:2:2:	2:3:2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	N[6a]-2:C[6a]-3:O-2:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a,6a])(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(OC)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O){1|C<3>,1|O<2>,2|N<2>}	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a,6a])(N[6a]C[6a]){1|N<2>,1|O<2>,2|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(OC){1|C<3>,1|N<2>}	115.9180	0.000	1	115.9180	0.000	1	116.4503	0.640	3	116.7055	0.914	30	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:2:2:	2:3:2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	N[6a]-2:N[6a]-3:N-2:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]N)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a])2	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(NC)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]N){1|C<4>,1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a])2{1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(NC){1|C<3>,1|N<2>,1|O<1>}	117.9840	0.000	1	117.9840	0.000	1	117.9840	0.000	1	116.7055	0.914	30	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:2:2:	2:3:2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	N[6a]-2:N[6a]-3:S-2:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]S)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]H)(SC)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]S){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(N[6a]C[6a]){1|N<3>,1|O<1>,1|S<2>,3|C<3>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]H)(SC){1|C<3>,1|N<2>,1|O<1>}	116.2260	0.000	1	116.2260	0.000	1	116.2260	0.000	1	116.7055	0.914	30	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:2:2:	2:3:2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:O[6a]-2:N[6a]-2:	N[6a]-2:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]N[6a])	C[6a,6a](C[6a,6a]C[6a]2)(O[6a]C[6a,6a])(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]N[6a]){5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(O[6a]C[6a,6a])(N[6a]C[6a]){1|H<1>,1|N<2>,1|O<1>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|O<2>,3|C<3>,3|H<1>}	115.9470	0.000	1	115.9470	0.000	1	115.9470	0.000	1	116.7055	0.914	30	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:2:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	N[6a]-2:C[6a]-3:C-3:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CC[6a]C[6])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2{1|Cl<1>,1|C<4>,1|H<1>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CC[6a]C[6]){1|C<3>,1|C<4>,1|N<2>}	119.2860	0.000	1	119.2860	0.000	1	117.2851	1.004	7	117.7744	0.739	36	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:2:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	N[6a]-2:C[6a]-3:C-3:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHN)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2{1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHN){1|C<3>,1|C<4>,1|N<2>}	117.2467	0.321	4	117.2467	0.103	4	117.2851	1.004	7	117.7744	0.739	36	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:2:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	N[6a]-2:C[6a]-3:C-3:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a])2	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(COO)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C){1|H<1>,1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a])2{2|H<1>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(COO){1|C<3>,1|N<2>}	116.3615	0.016	2	116.3615	0.000	2	117.2851	1.004	7	117.7744	0.739	36	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:2:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	N[6a]-2:C[6a]-3:N-3:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(NHH)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N){4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2{1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(NHH){1|H<1>,1|N<2>,3|C<3>}	117.7640	0.000	1	117.7640	0.000	1	118.1427	0.220	23	117.7744	0.739	36	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:2:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	N[6a]-2:C[6a]-3:N-3:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NCH)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2{1|C<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|N<2>}	118.4390	0.000	1	118.1113	0.167	12	118.1427	0.220	23	117.7744	0.739	36	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:2:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	N[6a]-2:C[6a]-3:N-3:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NCH)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|N<2>}	117.8200	0.364	5	118.1113	0.167	12	118.1427	0.220	23	117.7744	0.739	36	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:2:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	N[6a]-2:C[6a]-3:N-3:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NCH)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2{1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|N<2>}	118.2995	0.334	6	118.1113	0.167	12	118.1427	0.220	23	117.7744	0.739	36	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:2:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	N[6a]-2:C[6a]-3:N-3:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NC[6a]2)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2{1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NC[6a]2){1|C<3>,1|H<1>,1|N<2>}	117.8355	0.078	2	117.8355	0.006	2	118.1427	0.220	23	117.7744	0.739	36	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:2:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	N[6a]-2:C[6a]-3:N-3:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NC[6a]H)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2{1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NC[6a]H){1|C<3>,1|H<1>,1|N<2>}	118.3732	0.720	4	118.2044	0.532	5	118.1427	0.220	23	117.7744	0.739	36	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:2:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	N[6a]-2:C[6a]-3:N-3:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NC[6a]H)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2{1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NC[6a]H){1|C<3>,1|H<1>,1|N<2>}	117.5290	0.000	1	118.2044	0.532	5	118.1427	0.220	23	117.7744	0.739	36	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:2:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	N[6a]-2:C[6a]-3:N-3:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NHH)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2{1|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NHH){1|C<3>,1|H<1>,1|N<2>}	118.1920	0.000	1	118.4967	0.070	3	118.1427	0.220	23	117.7744	0.739	36	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:2:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	N[6a]-2:C[6a]-3:N-3:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NHH)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2{1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NHH){1|C<3>,1|H<1>,1|N<2>}	118.6490	0.000	2	118.4967	0.070	3	118.1427	0.220	23	117.7744	0.739	36	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:2:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	N[6a]-2:N[6a]-3:C-3:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(CCC)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]C){1|C<4>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(CCC){1|C<3>,1|N<2>,1|O<1>}	118.7320	0.000	1	118.7320	0.000	1	118.7320	0.000	1	117.7744	0.739	36	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:2:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	N[6a]-2:N[6a]-3:N-3:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]N)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a])2	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(NCH)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]N){1|C<4>,1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a])2{1|C<3>,1|H<1>,1|O<1>,2|N<3>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(NCH){1|C<3>,1|N<2>,1|O<1>}	116.8890	0.000	1	116.8890	0.000	1	116.1903	0.445	3	117.7744	0.739	36	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:2:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	N[6a]-2:N[6a]-3:N-3:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]N)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a])2	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]H)(NCH)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]N){1|H<1>,1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a])2{1|C<3>,1|C<4>,1|O<1>,2|N<3>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]H)(NCH){1|C<3>,1|N<2>,1|O<1>}	115.8410	0.396	2	115.8410	0.157	2	116.1903	0.445	3	117.7744	0.739	36	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:2:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:O[6a]-2:	N[6a]-2:C[6a]-3:N[6]-3:	N[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]N[6])	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])(O[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(N[6]C[6]2)	N[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]N[6]){1|H<1>,2|C<4>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])(O[6a]C[6a]){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	117.1475	0.285	2	117.1475	0.081	2	117.1475	0.081	2	117.7744	0.739	36	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:2:2:	2:3:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	N[6a]-2:C[6a]-3:C-4:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CBr2H)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2{1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CBr2H){1|C<3>,1|C<4>,1|N<2>}	117.2820	0.000	1	117.2820	0.000	1	117.5395	0.464	31	117.5778	0.589	39	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:2:2:	2:3:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	N[6a]-2:C[6a]-3:C-4:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CBrHH)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CBrHH){1|C<3>,1|H<1>,1|N<2>}	117.6690	0.000	1	117.6690	0.000	1	117.5395	0.464	31	117.5778	0.589	39	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:2:2:	2:3:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	N[6a]-2:C[6a]-3:C-4:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CF3)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2{1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CF3){1|C<3>,1|C<4>,1|N<2>}	117.4757	0.466	6	117.4757	0.217	6	117.5395	0.464	31	117.5778	0.589	39	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:2:2:	2:3:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	N[6a]-2:C[6a]-3:C-4:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,1|N<2>}	117.5257	0.314	3	117.6682	0.466	20	117.5395	0.464	31	117.5778	0.589	39	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:2:2:	2:3:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	N[6a]-2:C[6a]-3:C-4:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2{1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|N<2>}	117.1883	0.317	3	117.6682	0.466	20	117.5395	0.464	31	117.5778	0.589	39	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:2:2:	2:3:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	N[6a]-2:C[6a]-3:C-4:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2{1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|N<2>}	117.7928	0.787	13	117.6682	0.466	20	117.5395	0.464	31	117.5778	0.589	39	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:2:2:	2:3:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	N[6a]-2:C[6a]-3:C-4:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|N<2>}	117.9170	0.000	1	117.6682	0.466	20	117.5395	0.464	31	117.5778	0.589	39	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:2:2:	2:3:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	N[6a]-2:C[6a]-3:C-4:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHHO)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHHO){1|C<3>,1|H<1>,1|N<2>}	117.9990	0.000	1	117.9990	0.000	1	117.5395	0.464	31	117.5778	0.589	39	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:2:2:	2:3:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	N[6a]-2:C[6a]-3:C-4:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a])2	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(CHOO)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C){1|H<1>,1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a])2{1|C<3>,1|C<4>,1|O<1>,2|N<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(CHOO){1|C<3>,1|N<2>}	116.2775	0.385	2	116.2775	0.149	2	117.5395	0.464	31	117.5778	0.589	39	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:2:2:	2:3:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:O[6a]-2:N[6a]-2:	N[6a]-2:C[6a]-3:C-4:	N[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(O[6a]C[6a,6a])(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCFH)	N[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]C){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(O[6a]C[6a,6a])(N[6a]C[6a]){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCFH){1|C<3>,1|H<1>,1|O<2>}	116.2740	0.000	1	116.2740	0.000	1	116.6857	0.288	3	117.5778	0.589	39	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:2:2:	2:3:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:O[6a]-2:N[6a]-2:	N[6a]-2:C[6a]-3:C-4:	N[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(O[6a]C[6a,6a])(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]C){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(O[6a]C[6a,6a])(N[6a]C[6a]){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,1|O<2>}	116.8915	0.568	2	116.8915	0.322	2	116.6857	0.288	3	117.5778	0.589	39	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:2:2:	2:3:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:S[6a]-2:N[6a]-2:	N[6a]-2:C[6a]-3:C-4:	N[6a](C[6a,6a]C[6a,6a]S[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(S[6a]C[6a,6a])(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[6a,6a]C[6a,6a]S[6a])(C[6a]C[6a]C){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(S[6a]C[6a,6a])(N[6a]C[6a]){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,1|S<2>}	117.3960	0.000	1	117.3960	0.000	1	117.3960	0.000	1	117.5778	0.589	39	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:2:2:	2:3:4:	C[6a,6a]-3:C[6a]-3:	N[6a,6a]-3:N[6a]-2:N[6a]-2:	N[6a]-2:C[6a]-3:C-4:	N[6a](C[6a,6a]N[6a,6a]N[6a])(C[6a]C[6a]C)	C[6a,6a](N[6a,6a]C[6a]2)(N[6a]C[6a])2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[6a,6a]N[6a,6a]N[6a])(C[6a]C[6a]C){1|H<1>,3|C<3>}	C[6a,6a](N[6a,6a]C[6a]2)(N[6a]C[6a])2{1|C<3>,1|N<2>,1|N<3>,1|O<1>,2|C<4>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3){1|N<2>,1|N<3>,1|O<1>}	118.8947	0.318	3	118.5895	0.440	4	118.5895	0.440	4	117.5778	0.589	39	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:2:2:	2:3:4:	C[6a,6a]-3:C[6a]-3:	N[6a,6a]-3:N[6a]-2:N[6a]-2:	N[6a]-2:C[6a]-3:C-4:	N[6a](C[6a,6a]N[6a,6a]N[6a])(C[6a]C[6a]C)	C[6a,6a](N[6a,6a]C[6a]2)(N[6a]C[6a])2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[6a,6a]N[6a,6a]N[6a])(C[6a]C[6a]C){1|H<1>,3|C<3>}	C[6a,6a](N[6a,6a]C[6a]2)(N[6a]C[6a])2{1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3){1|N<2>,1|N<3>,1|O<1>}	117.6740	0.000	1	118.5895	0.440	4	118.5895	0.440	4	117.5778	0.589	39	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:2:2:	3:2:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:N[6a]-2:H-1:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(N[6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(H)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]H){4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(N[6a]C[6a]){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(H){1|H<1>,1|N<2>,3|C<3>}	117.3896	0.524	9	117.3896	0.275	9	117.3896	0.275	9	118.1899	1.527	14	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:2:2:	3:2:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:O[6a]-2:	N[6a]-3:N[6a]-2:O-1:	N[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]N[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])(O[6a]C[6a])	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a,6a])(O)	N[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]N[6a]O){1|C<4>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])(O[6a]C[6a]){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|O<1>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a,6a])(O){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	118.7350	0.000	1	118.7350	0.000	1	118.7350	0.000	1	118.1899	1.527	14	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:2:2:	3:2:1:	C[6a,6a]-3:C[6a]-3:	N[3x6a]-3:N[6a]-2:N[6a]-2:	N[6a]-3:N[6a]-2:O-1:	N[6a](C[6a,6a]N[3x6a]N[6a])(C[6a]N[6a]O)	C[6a,6a](N[3x6a]C[6a,6a]2)(N[6a]C[6a])2	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6a,6a])(O)	N[6a](C[6a,6a]N[3x6a]N[6a])(C[6a]N[6a]O){1|H<1>,3|C<3>}	C[6a,6a](N[3x6a]C[6a,6a]2)(N[6a]C[6a])2{1|O<1>,2|N<3>,3|N<2>}	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6a,6a])(O){1|N<3>,2|N<2>}	120.2500	0.000	1	120.2500	0.000	1	120.2500	0.000	1	118.1899	1.527	14	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:2:2:	3:2:1:	C[6a,6a]-3:C[6a]-3:	N[6,6a,6a]-3:N[6a]-2:N[6a]-2:	N[6a]-3:N[6a]-2:O-1:	N[6a](C[6a,6a]N[6,6a,6a]N[6a])(C[6a]N[6a]O)	C[6a,6a](N[6,6a,6a]C[6,6a]2)(N[6a]C[6a])2	C[6a](N[6a]C[6,6a]H)(N[6a]C[6a,6a])(O)	N[6a](C[6a,6a]N[6,6a,6a]N[6a])(C[6a]N[6a]O){1|H<1>,3|C<3>}	C[6a,6a](N[6,6a,6a]C[6,6a]2)(N[6a]C[6a])2{1|N<3>,2|O<1>,3|N<2>}	C[6a](N[6a]C[6,6a]H)(N[6a]C[6a,6a])(O){1|N<3>,2|N<2>}	119.7223	0.385	3	119.7223	0.148	3	119.7223	0.148	3	118.1899	1.527	14	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:2:2:	3:2:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a])2	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(NHH)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N){1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a])2{1|C<3>,1|N<2>,3|N<3>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(NHH){1|N<2>,3|C<3>}	117.9610	0.170	3	117.9610	0.029	3	117.9610	0.029	3	117.9610	0.029	3	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:2:1:	C[6a,6a]-3:C[6a]-3:	C[3x6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]N[6a]H)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])2(H)	N[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]N[6a]H){4|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]){1|H<1>,1|N<2>,1|O<2>,5|C<3>}	C[6a](N[6a]C[6a,6a])2(H){3|C<3>}	116.5375	0.455	2	116.5375	0.207	2	115.4767	1.571	4	115.4175	0.577	108	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:2:1:	C[6a,6a]-3:C[6a]-3:	C[3x6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]N[6a]H)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a,6a]C[3x6a]N[6a])(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])2(H)	N[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]N[6a]H){1|N<2>,3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a,6a]C[3x6a]N[6a])(N[6a]C[6a]){1|H<1>,1|N<2>,5|C<3>}	C[6a](N[6a]C[6a,6a])2(H){3|C<3>}	114.4160	0.072	2	114.4160	0.005	2	115.4767	1.571	4	115.4175	0.577	108	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:2:1:	C[6a,6a]-3:C[6a]-3:	C[3x6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]H)	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])2(H)	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]H){1|H<1>,3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])2(H){1|N<3>,2|C<3>}	115.3760	0.670	2	115.3760	0.449	2	115.6362	0.181	50	115.4175	0.577	108	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:2:1:	C[6a,6a]-3:C[6a]-3:	C[3x6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]H)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])2(H)	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]H){1|H<1>,3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|H<1>,3|C<3>}	C[6a](N[6a]C[6a,6a])2(H){3|C<3>}	115.6470	0.420	48	115.6470	0.176	48	115.6362	0.181	50	115.4175	0.577	108	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:2:1:	C[6a,6a]-3:C[6a]-3:	C[3x6a]-3:N[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]N[6a]H)	C[6a,6a](C[3x6a]C[6a,6a]2)(N[6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])2(H)	N[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]N[6a]H){4|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]2)(N[6a]C[6a]2)(N[6a]C[6a]){1|H<1>,1|N<2>,6|C<3>}	C[6a](N[6a]C[6a,6a])2(H){1|N<3>,2|C<3>}	114.5880	0.547	2	114.5880	0.300	2	114.5880	0.300	2	115.4175	0.577	108	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:2:1:	C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]N[6a]H)	C[6a,6a](C[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(H)	N[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]N[6a]H){4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|O<2>,2|H<1>,2|N<2>,3|C<3>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(H){3|C<3>}	113.9080	0.000	1	113.9080	0.000	1	113.9080	0.000	1	115.4175	0.577	108	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:2:1:	C[6a,6a]-3:C[6a]-3:	C[6,6a,6a]-3:N[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a,6a]C[6,6a,6a]N[6a])(C[6a]N[6a]H)	C[6a,6a](C[6,6a,6a]C[6,6a]2)(N[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(N[6a]C[6,6a])(H)	N[6a](C[6a,6a]C[6,6a,6a]N[6a])(C[6a]N[6a]H){1|H<1>,3|C<3>}	C[6a,6a](C[6,6a,6a]C[6,6a]2)(N[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,3|N<2>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6,6a])(H){1|C<3>,2|N<3>}	115.2150	0.000	1	115.2150	0.000	1	115.2150	0.000	1	115.4175	0.577	108	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:2:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:Cl-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]Cl)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(Cl)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]Cl){4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){2|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(Cl){3|C<3>}	115.0810	0.000	1	115.0810	0.000	1	114.5620	0.478	6	115.4175	0.577	108	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:2:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:Cl-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]Cl)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(Cl)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]Cl){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<2>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(Cl){1|N<3>,2|C<3>}	113.8000	0.000	1	114.4582	0.516	5	114.5620	0.478	6	115.4175	0.577	108	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:2:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:Cl-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]Cl)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(Cl)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]Cl){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>,1|O<2>,1|S<4>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(Cl){1|S<4>,2|C<3>}	115.5190	0.000	1	114.4582	0.516	5	114.5620	0.478	6	115.4175	0.577	108	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:2:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:Cl-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]Cl)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(Cl)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]Cl){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(Cl){1|N<3>,2|C<3>}	114.0620	0.201	2	114.4582	0.516	5	114.5620	0.478	6	115.4175	0.577	108	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:2:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:Cl-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]Cl)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(Cl)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]Cl){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|Cl<1>,1|C<3>,1|F<1>,1|H<1>,1|N<2>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(Cl){1|Cl<1>,2|C<3>}	114.8480	0.000	1	114.4582	0.516	5	114.5620	0.478	6	115.4175	0.577	108	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:2:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H){4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]){2|H<1>,2|N<2>,4|C<3>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(H){3|C<3>}	116.0340	0.000	1	116.0340	0.000	1	115.4479	0.687	41	115.4175	0.577	108	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:2:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|F<1>,1|N<2>,1|O<2>,2|H<1>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(H){1|O<2>,2|C<3>}	114.9630	0.000	1	115.5091	0.615	38	115.4479	0.687	41	115.4175	0.577	108	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:2:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|N<2>,1|N<3>,1|O<2>,2|H<1>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(H){1|N<3>,2|C<3>}	115.6597	0.828	23	115.5091	0.615	38	115.4479	0.687	41	115.4175	0.577	108	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:2:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(H){1|N<3>,2|C<3>}	115.0872	0.636	8	115.5091	0.615	38	115.4479	0.687	41	115.4175	0.577	108	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:2:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|N<2>,1|O<2>,3|H<1>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(H){1|O<2>,2|C<3>}	115.5350	0.000	1	115.5091	0.615	38	115.4479	0.687	41	115.4175	0.577	108	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:2:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|N<2>,2|H<1>,2|O<2>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(H){1|O<2>,2|C<3>}	114.9420	0.000	1	115.5091	0.615	38	115.4479	0.687	41	115.4175	0.577	108	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:2:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|O<2>,2|H<1>,2|N<2>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(H){1|N<2>,2|C<3>}	116.2340	0.000	1	115.5091	0.615	38	115.4479	0.687	41	115.4175	0.577	108	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:2:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,2|N<2>,3|H<1>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(H){1|N<2>,2|C<3>}	114.5360	0.000	1	115.5091	0.615	38	115.4479	0.687	41	115.4175	0.577	108	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:2:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(H){1|H<1>,2|C<3>}	116.1520	0.000	1	115.5091	0.615	38	115.4479	0.687	41	115.4175	0.577	108	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:2:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(H){3|C<3>}	116.1140	0.000	1	115.5091	0.615	38	115.4479	0.687	41	115.4175	0.577	108	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:2:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[6a]N)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H){1|C<3>,1|N<3>,2|N<2>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[6a]N)(N[6a]C[6a]){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(H){1|N<3>,2|C<3>}	113.9925	0.083	2	113.9925	0.007	2	115.4479	0.687	41	115.4175	0.577	108	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:2:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:I-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]I)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(N[6a]N[6a])(I)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]I){1|H<1>,1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|I<1>,1|N<2>,2|H<1>}	C[6a](N[6a]C[6a,6a])(N[6a]N[6a])(I){2|C<3>}	115.3470	0.000	1	115.3470	0.000	1	115.3470	0.000	1	115.4175	0.577	108	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:2:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(H)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]H){1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a]2)(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,1|O<1>,3|C<3>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(H){1|C<3>,2|N<3>}	113.4980	0.280	2	113.4980	0.078	2	113.4980	0.078	2	115.4175	0.577	108	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:2:2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:S-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]S)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]F)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(SC)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]S){1|F<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]F)(N[6a]C[6a]){1|C<3>,1|N<2>,1|N<3>,1|S<2>,2|F<1>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(SC){1|N<3>,2|C<3>}	114.6470	0.000	1	114.6470	0.000	1	114.7785	0.525	4	114.7785	0.525	4	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:2:2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:S-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]S)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(SC)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]S){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|N<2>,1|O<2>,1|S<2>,2|H<1>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(SC){1|O<2>,2|C<3>}	115.3260	0.000	1	115.3260	0.000	1	114.7785	0.525	4	114.7785	0.525	4	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:2:2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:S-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]S)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Cl)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(SC)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]S){1|Cl<1>,1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Cl)(N[6a]C[6a]){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|S<2>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(SC){1|N<3>,2|C<3>}	113.8050	0.000	1	113.8050	0.000	1	114.7785	0.525	4	114.7785	0.525	4	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:2:2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:S-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]S)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(SC)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]S){1|N<2>,1|N<3>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N)(N[6a]C[6a]){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(SC){3|C<3>}	115.3360	0.000	1	115.3360	0.000	1	114.7785	0.525	4	114.7785	0.525	4	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:2:3:	C[6a,6a]-3:C[6a]-3:	C[3x6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]N[6a])	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]Br)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])2(C[6a]C[6a]2)	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]N[6a]){1|Br<1>,5|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]Br)(N[6a]C[6a]){1|Br<1>,1|N<2>,4|C<3>}	C[6a](N[6a]C[6a,6a])2(C[6a]C[6a]2){2|F<1>,5|C<3>}	115.7690	0.266	2	115.7690	0.071	2	115.9027	0.096	15	115.7490	0.832	45	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:2:3:	C[6a,6a]-3:C[6a]-3:	C[3x6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]N[6a])	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])2(C[6a]C[6a]2)	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]N[6a]){1|H<1>,5|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<2>,4|C<3>}	C[6a](N[6a]C[6a,6a])2(C[6a]C[6a]2){1|C<4>,1|H<1>,5|C<3>}	116.0665	0.215	4	115.9233	0.103	13	115.9027	0.096	15	115.7490	0.832	45	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:2:3:	C[6a,6a]-3:C[6a]-3:	C[3x6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]N[6a])	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])2(C[6a]C[6a]2)	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]N[6a]){1|H<1>,5|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<2>,4|C<3>}	C[6a](N[6a]C[6a,6a])2(C[6a]C[6a]2){2|F<1>,5|C<3>}	115.8597	0.349	9	115.9233	0.103	13	115.9027	0.096	15	115.7490	0.832	45	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:2:3:	C[6a,6a]-3:C[6a]-3:	C[3x6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]N)	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])2(NCC)	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]N){1|H<1>,3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6a](N[6a]C[6a,6a])2(NCC){3|C<3>}	115.3430	0.000	1	115.3430	0.000	1	115.7567	0.130	3	115.7490	0.832	45	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:2:3:	C[6a,6a]-3:C[6a]-3:	C[3x6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]N)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])2(NCC)	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]N){1|H<1>,3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6a](N[6a]C[6a,6a])2(NCC){3|C<3>}	115.9635	0.062	2	115.9635	0.004	2	115.7567	0.130	3	115.7490	0.832	45	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:2:3:	C[6a,6a]-3:C[6a]-3:	C[3x6a]-3:N[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a]N[6a])	C[6a,6a](C[3x6a]C[6a,6a]2)(N[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])2(C[6a]C[6a]2)	N[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a]N[6a]){1|H<1>,5|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]2)(N[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,4|N<2>}	C[6a](N[6a]C[6a,6a])2(C[6a]C[6a]2){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	114.4150	0.000	1	114.4150	0.000	1	114.4150	0.000	1	115.7490	0.832	45	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:2:3:	C[6a,6a]-3:C[6a]-3:	C[6,6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a,6a](C[6,6a,6a]C[6,6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(N[6a]C[6,6a])(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]N[6a]){1|H<1>,5|C<3>}	C[6a,6a](C[6,6a,6a]C[6,6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<2>,4|C<3>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6,6a])(C[6a]C[6a]2){1|H<1>,1|O<2>,5|C<3>}	118.4080	0.000	1	118.4080	0.000	1	118.4080	0.000	1	115.7490	0.832	45	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:2:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:C-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(COO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C){1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){1|N<2>,2|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(COO){1|H<1>,2|C<3>}	115.8620	0.000	1	115.8620	0.000	1	115.6300	0.108	2	115.7490	0.832	45	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:2:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:C-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(N[6a]N[6a])(CC[6a]O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C){1|H<1>,1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](N[6a]C[6a,6a])(N[6a]N[6a])(CC[6a]O){2|C<3>}	115.3980	0.000	1	115.3980	0.000	1	115.6300	0.108	2	115.7490	0.832	45	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:2:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]N)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(NCH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]N){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(NCH){3|C<3>}	115.4860	0.000	1	115.4860	0.000	1	115.0316	1.308	5	115.7490	0.832	45	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:2:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]N)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(NCH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]N){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(NCH){1|H<1>,2|C<3>}	116.8040	0.000	1	116.8040	0.000	1	115.0316	1.308	5	115.7490	0.832	45	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:2:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]N)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(N[6a]N[6a])(NCC)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]N){1|H<1>,1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(N[6a]N[6a])(NCC){2|C<3>}	114.6740	0.000	1	114.6740	0.000	1	115.0316	1.308	5	115.7490	0.832	45	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:2:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]N)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[6a]N)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(NCH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]N){1|C<3>,1|N<3>,2|N<2>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[6a]N)(N[6a]C[6a]){1|C<3>,1|N<2>,2|N<3>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(NCH){1|N<3>,2|C<3>}	114.0970	0.099	2	114.0970	0.010	2	115.0316	1.308	5	115.7490	0.832	45	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:2:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:N[6]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]N[6])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(N[6a]N[6a])(N[6]C[6]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]N[6]){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(N[6a]N[6a])(N[6]C[6]2){2|C<3>,2|C<4>,4|H<1>}	115.0720	0.000	1	115.0720	0.000	1	115.0720	0.000	1	115.7490	0.832	45	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:2:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:O[6a]-2:C-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(O[6a]C[6a])(CCH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]C){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|O<1>,2|C<3>,2|O<2>}	C[6a](N[6a]C[6a,6a])(O[6a]C[6a])(CCH){1|O<1>,2|C<3>}	117.1920	0.000	1	117.3353	0.047	3	117.3353	0.047	3	115.7490	0.832	45	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:2:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:O[6a]-2:C-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(O[6a]C[6a])(CCH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]C){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(O[6a]C[6a])(CCH){1|O<1>,2|C<3>}	117.4070	0.253	2	117.3353	0.047	3	117.3353	0.047	3	115.7490	0.832	45	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:2:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]N)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(NC[6a]C)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]N){1|C<4>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C)(N[6a]C[6a]){1|O<1>,1|O<2>,2|N<2>,2|N<3>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(NC[6a]C){1|C<3>,1|N<3>,1|O<2>}	114.0790	0.124	2	114.0790	0.015	2	114.7840	1.445	4	115.7490	0.832	45	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:2:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]N)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C[5])(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(NHH)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]N){1|C<4>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C[5])(N[6a]C[6a]){1|C<4>,1|N<2>,1|O<2>,2|H<1>,2|N<3>,2|O<1>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|N<3>}	116.5690	0.000	1	116.5690	0.000	1	114.7840	1.445	4	115.7490	0.832	45	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:2:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]N)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(NC[6a]H)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]N){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|H<1>,1|N<2>,1|O<1>,2|N<3>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(NC[6a]H){1|C<3>,2|N<3>}	114.4090	0.000	1	114.4090	0.000	1	114.7840	1.445	4	115.7490	0.832	45	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:2:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:N[5]-3:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]N[5])	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(N[5]C[5]2)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]N[5]){3|C<3>,3|C<4>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C)(N[6a]C[6a]){1|C<3>,1|N<2>,1|N<3>,1|O<1>,2|H<1>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(N[5]C[5]2){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	115.9730	0.000	1	115.9730	0.000	1	115.9730	0.000	1	115.7490	0.832	45	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:2:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:N[6]-3:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]N[6])	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(N[6]C[6]2)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]N[6]){3|C<3>,3|C<4>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C)(N[6a]C[6a]){1|C<3>,1|N<2>,1|N<3>,1|O<1>,2|H<1>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(N[6]C[6]2){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	115.8524	0.219	8	115.8524	0.048	8	115.8524	0.048	8	115.7490	0.832	45	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:2:3:	C[6a,6a]-3:C[6a]-3:	N[3x6a]-3:N[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a,6a]N[3x6a]N[6a])(C[6a]N[6a]N)	C[6a,6a](N[3x6a]C[6a,6a]2)(N[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])2(NC[6a]2)	N[6a](C[6a,6a]N[3x6a]N[6a])(C[6a]N[6a]N){1|H<1>,3|C<3>}	C[6a,6a](N[3x6a]C[6a,6a]2)(N[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,1|O<1>,4|N<2>}	C[6a](N[6a]C[6a,6a])2(NC[6a]2){1|N<2>,2|N<3>}	114.6490	0.000	1	114.6490	0.000	1	114.6490	0.000	1	115.7490	0.832	45	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:2:4:	C[6a,6a]-3:C[6a]-3:	C[3x6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:C-4:	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]C)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[5a]C[6a])(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])2(CCFF)	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]C){4|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[5a]C[6a])(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<2>,1|S<2>,4|C<3>}	C[6a](N[6a]C[6a,6a])2(CCFF){3|C<3>}	115.5657	0.477	6	115.5648	0.207	12	115.3191	0.234	46	115.5923	0.690	55	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:2:4:	C[6a,6a]-3:C[6a]-3:	C[3x6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:C-4:	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]C)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[5a]C[6a])(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])2(CCFF)	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]C){4|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[5a]C[6a])(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<2>,5|C<3>}	C[6a](N[6a]C[6a,6a])2(CCFF){3|C<3>}	115.5640	0.476	6	115.5648	0.207	12	115.3191	0.234	46	115.5923	0.690	55	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:2:4:	C[6a,6a]-3:C[6a]-3:	C[3x6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:C-4:	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]C)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])2(CCFF)	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]C){4|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<2>,5|C<3>}	C[6a](N[6a]C[6a,6a])2(CCFF){3|C<3>}	115.3830	0.065	2	115.3830	0.004	2	115.3191	0.234	46	115.5923	0.690	55	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:2:4:	C[6a,6a]-3:C[6a]-3:	C[3x6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:C-4:	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]C)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]Br)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])2(CCFF)	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]C){1|Br<1>,3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]Br)(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[6a](N[6a]C[6a,6a])2(CCFF){3|C<3>}	115.0630	0.000	1	115.0630	0.000	1	115.3191	0.234	46	115.5923	0.690	55	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:2:4:	C[6a,6a]-3:C[6a]-3:	C[3x6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:C-4:	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]C)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]Br)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])2(CF3)	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]C){1|Br<1>,3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]Br)(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[6a](N[6a]C[6a,6a])2(CF3){3|C<3>}	114.9060	0.314	3	114.9060	0.098	3	115.3191	0.234	46	115.5923	0.690	55	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:2:4:	C[6a,6a]-3:C[6a]-3:	C[3x6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:C-4:	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]C)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]C)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])2(CCFF)	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]C){1|C<4>,3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]C)(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[6a](N[6a]C[6a,6a])2(CCFF){3|C<3>}	115.1910	0.290	2	115.1910	0.084	2	115.3191	0.234	46	115.5923	0.690	55	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:2:4:	C[6a,6a]-3:C[6a]-3:	C[3x6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:C-4:	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]C)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]Cl)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])2(CF3)	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]C){1|Cl<1>,3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]Cl)(N[6a]C[6a]){1|Cl<1>,1|C<4>,1|N<2>,3|C<3>}	C[6a](N[6a]C[6a,6a])2(CF3){3|C<3>}	115.0020	0.170	2	115.0020	0.029	2	115.3191	0.234	46	115.5923	0.690	55	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:2:4:	C[6a,6a]-3:C[6a]-3:	C[3x6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:C-4:	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]C)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])2(CCFF)	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]C){1|H<1>,3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|Br<1>,1|C<4>,1|N<2>,3|C<3>}	C[6a](N[6a]C[6a,6a])2(CCFF){3|C<3>}	114.8180	0.000	1	115.2764	0.058	7	115.3191	0.234	46	115.5923	0.690	55	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:2:4:	C[6a,6a]-3:C[6a]-3:	C[3x6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:C-4:	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]C)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])2(CCFF)	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]C){1|H<1>,3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[6a](N[6a]C[6a,6a])2(CCFF){3|C<3>}	115.3528	0.143	6	115.2764	0.058	7	115.3191	0.234	46	115.5923	0.690	55	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:2:4:	C[6a,6a]-3:C[6a]-3:	C[3x6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:C-4:	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]C)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])2(CF3)	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]C){1|H<1>,3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|Br<1>,1|C<4>,1|N<2>,3|C<3>}	C[6a](N[6a]C[6a,6a])2(CF3){3|C<3>}	114.9190	0.122	3	115.0490	0.059	13	115.3191	0.234	46	115.5923	0.690	55	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:2:4:	C[6a,6a]-3:C[6a]-3:	C[3x6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:C-4:	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]C)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])2(CF3)	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]C){1|H<1>,3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[6a](N[6a]C[6a,6a])2(CF3){3|C<3>}	115.0880	0.260	10	115.0490	0.059	13	115.3191	0.234	46	115.5923	0.690	55	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:2:4:	C[6a,6a]-3:C[6a]-3:	C[3x6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:C-4:	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]C)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])2(CH3)	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]C){1|H<1>,3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[6a](N[6a]C[6a,6a])2(CH3){3|C<3>}	116.4695	0.627	2	116.4695	0.393	2	115.3191	0.234	46	115.5923	0.690	55	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:2:4:	C[6a,6a]-3:C[6a]-3:	C[3x6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:C-4:	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]C)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]Sn)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])2(CCFF)	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]C){1|Sn<4>,3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]Sn)(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[6a](N[6a]C[6a,6a])2(CCFF){3|C<3>}	115.7285	0.995	2	115.7285	0.990	2	115.3191	0.234	46	115.5923	0.690	55	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:2:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:C-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(CCHH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<2>,1|S<2>,2|H<1>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(CCHH){1|S<2>,2|C<3>}	117.3080	0.000	1	117.3080	0.000	1	116.4370	0.489	4	115.5923	0.690	55	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:2:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:C-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(CC[5]CC)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(CC[5]CC){3|C<3>}	116.4195	0.097	2	116.4195	0.009	2	116.4370	0.489	4	115.5923	0.690	55	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:2:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:C-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(N[6a]N[6a])(CF3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C){1|H<1>,1|N<3>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(N[6a]N[6a])(CF3){3|C<3>}	115.6010	0.000	1	115.6010	0.000	1	116.4370	0.489	4	115.5923	0.690	55	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:2:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:O[6a]-2:C-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(O[6a]C[6a])(CF3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]C){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6a](N[6a]C[6a,6a])(O[6a]C[6a])(CF3){1|O<1>,2|C<3>}	116.2180	0.000	1	116.2180	0.000	1	117.4545	0.699	4	115.5923	0.690	55	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:2:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:O[6a]-2:C-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(O[6a]C[6a])(CH3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]C){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	C[6a](N[6a]C[6a,6a])(O[6a]C[6a])(CH3){1|O<1>,2|C<3>}	117.6750	0.000	1	117.8667	0.029	3	117.4545	0.699	4	115.5923	0.690	55	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:2:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:O[6a]-2:C-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(O[6a]C[6a])(CH3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]C){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6a](N[6a]C[6a,6a])(O[6a]C[6a])(CH3){1|O<1>,2|C<3>}	117.9625	0.045	2	117.8667	0.029	3	117.4545	0.699	4	115.5923	0.690	55	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:2:4:	C[6a,6a]-3:C[6a]-3:	N[3x6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:C-4:	N[6a](C[6a,6a]N[3x6a]C[6a])(C[6a]N[6a]C)	C[6a,6a](N[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])2(CC3)	N[6a](C[6a,6a]N[3x6a]C[6a])(C[6a]N[6a]C){1|H<1>,3|C<3>}	C[6a,6a](N[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,1|H<1>,3|N<2>}	C[6a](N[6a]C[6a,6a])2(CC3){1|C<3>,1|N<2>,1|N<3>}	117.3310	0.000	1	117.3310	0.000	1	117.3310	0.000	1	115.5923	0.690	55	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[5,6,6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[5,6,6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[5,6,6a]C[6a,6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]){2|H<1>,3|C<4>,4|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	117.3040	0.267	2	117.3040	0.071	2	117.3040	0.071	2	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)	C[6a,6a](C[5,6a]C[5,6a]O[5])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a,6a](C[5,6a]C[5,6a]O[5])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|Cl<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	116.7070	0.000	1	116.7070	0.000	1	116.7070	0.000	1	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|N<2>,3|C<3>,4|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	117.1640	0.000	1	116.8149	0.322	8	116.6386	0.394	10	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|O<2>,3|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	117.0030	0.105	2	116.8149	0.322	8	116.6386	0.394	10	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){4|C<3>,4|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	116.6698	0.697	5	116.8149	0.322	8	116.6386	0.394	10	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]C[6a]N[6a])(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>,2|N<2>}	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>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	115.9335	0.216	2	115.9335	0.047	2	116.6386	0.394	10	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6,6,6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6,6,6a]C[6,6,6a]C[5,3x6])(C[6a,6a]C[6,6a]C[6a])(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6,6,6a]C[6a,6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6,6,6a]C[6,6,6a]C[5,3x6])(C[6a,6a]C[6,6a]C[6a])(N[6a]C[6a]){2|H<1>,3|C<4>,4|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	118.5330	0.001	2	118.5330	0.000	2	118.4153	0.129	6	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6,6,6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6,6,6a]C[6,6,6a]C[5,3x6])(C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6,6,6a]C[6a,6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6,6,6a]C[6,6,6a]C[5,3x6])(C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]){2|H<1>,3|C<4>,4|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	118.3565	0.448	4	118.3565	0.201	4	118.4153	0.129	6	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|N<3>,3|C<3>,4|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	116.6373	0.008	3	116.6373	0.000	3	116.8252	1.014	99	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)	C[6a,6a](C[6,6a]C[6,6a]N[5,6])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6,6a]C[6,6a]N[5,6])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	116.2920	0.000	1	116.9920	0.980	2	116.8252	1.014	99	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)	C[6a,6a](C[6,6a]C[6,6a]N[5,6])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6,6a]C[6,6a]N[5,6])(C[6a,6a]C[6a]2)(N[6a]C[6a]){2|C<4>,3|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	117.6920	0.000	1	116.9920	0.980	2	116.8252	1.014	99	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)	C[6a,6a](C[6,6a]C[6,6a]N[5a,6])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6,6a]C[6,6a]N[5a,6])(C[6a,6a]C[6a]2)(N[6a]C[6a]){3|H<1>,5|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	117.7315	0.233	2	117.7315	0.054	2	116.8252	1.014	99	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|C<4>,3|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	117.2840	0.000	1	116.8153	1.106	88	116.8252	1.014	99	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|B<4>,3|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	118.9590	0.040	2	116.8153	1.106	88	116.8252	1.014	99	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|C<4>,3|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	117.9230	0.000	1	116.8153	1.106	88	116.8252	1.014	99	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|In<4>,3|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	118.2425	0.231	2	116.8153	1.106	88	116.8252	1.014	99	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|N<2>,3|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	116.5880	0.000	1	116.8153	1.106	88	116.8252	1.014	99	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|O<2>,3|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	116.7670	0.000	1	116.8153	1.106	88	116.8252	1.014	99	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|Si<5>,3|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	118.0380	0.000	1	116.8153	1.106	88	116.8252	1.014	99	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(N[6a]C[6a]){2|C<3>,2|C<4>,4|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	116.9080	0.000	1	116.8153	1.106	88	116.8252	1.014	99	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(N[6a]C[6a]){3|H<1>,5|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){3|C<3>}	116.4640	0.155	3	116.8153	1.106	88	116.8252	1.014	99	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(N[6a]C[6a]){4|C<3>,4|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	116.6993	1.030	75	116.8153	1.106	88	116.8252	1.014	99	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|C<4>,3|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	116.6850	0.371	2	116.6478	0.051	4	116.8252	1.014	99	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|Cl<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	116.6105	0.105	2	116.6478	0.051	4	116.8252	1.014	99	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[5])(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[5])(N[6a]C[6a]){1|N<2>,1|S<4>,2|H<1>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	116.4000	0.133	2	116.4000	0.018	2	116.4000	0.018	2	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[5a,6a]N[6a])(C[5a,6a]C[5a,6a]2)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(H)	N[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]N[6a])(C[5a,6a]C[5a,6a]2)(N[6a]C[6a]){1|H<1>,1|S<2>,5|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(H){2|C<3>}	116.5565	0.285	2	116.5565	0.081	2	116.5565	0.081	2	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[5,6,6a]C[6a])(C[6,6a]C[6,6a]N[6])(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[5,6,6a]C[6a])(C[6,6a]C[6,6a]N[6])(N[6a]C[6a]){2|C<4>,2|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	118.0620	0.000	1	118.0620	0.000	1	115.9188	0.780	68	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]N[6])(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]N[6])(N[6a]C[6a]){1|N<2>,3|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	116.8680	0.000	1	116.7923	0.031	3	115.9188	0.780	68	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]N[6])(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]N[6])(N[6a]C[6a]){1|N<3>,3|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	116.7545	0.231	2	116.7923	0.031	3	115.9188	0.780	68	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]N[6])(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]N[6])(N[6a]C[6a]){1|N<2>,3|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	116.6320	0.000	1	116.8343	0.036	3	115.9188	0.780	68	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]N[6])(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]N[6])(N[6a]C[6a]){1|N<3>,3|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	116.9355	0.104	2	116.8343	0.036	3	115.9188	0.780	68	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6])(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6])(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	116.5040	0.000	1	116.5040	0.000	1	115.9188	0.780	68	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(H){2|C<3>}	115.7324	0.824	57	115.7324	0.680	57	115.9188	0.780	68	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6])(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6])(N[6a]C[6a]){1|N<2>,3|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	116.7620	0.328	3	116.7620	0.108	3	115.9188	0.780	68	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	N[6a]-2:N[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]N[6a]O)	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(N[6a]N[6a]H)(O)	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]N[6a]O){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a]){1|H<1>,1|O<1>,2|N<3>,3|C<3>}	C[6a](N[6a]C[6a,6a])(N[6a]N[6a]H)(O){2|C<3>}	112.9100	0.000	1	112.9100	0.000	1	112.9100	0.000	1	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:Br-1:	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]Br)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(Br)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]Br){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|Br<1>,1|H<1>,5|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(Br){3|C<3>}	116.1303	0.565	3	116.1303	0.320	3	116.1303	0.320	3	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:Cl-1:	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]Cl)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(Cl)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]Cl){1|C<4>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|Cl<1>,3|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(Cl){1|H<1>,2|C<3>}	117.2265	0.213	2	117.4543	0.096	4	117.4930	0.647	8	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:Cl-1:	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]Cl)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(Cl)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]Cl){5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|Cl<1>,3|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(Cl){1|H<1>,2|C<3>}	117.6820	0.185	2	117.4543	0.096	4	117.4930	0.647	8	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:Cl-1:	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]Cl)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]Cl)(Cl)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]Cl){1|Cl<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){3|Cl<1>,4|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,2|C<3>}	118.5530	0.041	2	118.5530	0.002	2	117.4930	0.647	8	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:Cl-1:	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]Cl)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(Cl)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]Cl){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|Cl<1>,2|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	116.5105	0.240	2	116.5105	0.057	2	117.4930	0.647	8	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[5,6,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[5,6,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	117.5620	0.503	8	117.5620	0.253	8	117.4645	0.988	544	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[5,6a,6a]C[6,6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[5,6a,6a]C[6,6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|N<3>,3|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	118.3590	0.000	1	118.3590	0.000	1	117.4645	0.988	544	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[5,6a,6a]C[6a,6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[5,6a,6a]C[6a,6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|N<2>,3|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	118.3231	0.476	9	118.3231	0.227	9	117.4645	0.988	544	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|N<3>,3|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	118.5840	0.000	1	118.5840	0.000	1	117.4645	0.988	544	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|N<3>,3|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	117.0610	0.000	1	117.0610	0.000	1	117.4645	0.988	544	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]){1|N<2>,2|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	117.4093	0.460	31	117.6399	0.230	62	117.4645	0.988	544	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	117.8704	0.382	31	117.6399	0.230	62	117.4645	0.988	544	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]2)(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]2)(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|N<3>,2|H<1>,5|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){3|C<3>}	118.7090	0.000	1	118.7650	0.006	2	117.4645	0.988	544	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]2)(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]2)(C[6a,6a]C[6a]2)(N[6a]C[6a]){3|H<1>,5|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	118.8210	0.000	1	118.7650	0.006	2	117.4645	0.988	544	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6,6a]C[6a])(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6,6a]C[6a])(N[6a]C[6a]){1|Pt<4>,1|H<1>,1|N<3>,5|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|Pt<4>,2|C<3>}	115.2750	0.000	1	115.2750	0.000	1	117.4645	0.988	544	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)(N[6a]C[6a]){2|H<1>,6|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	119.2160	0.280	2	119.2160	0.078	2	117.4645	0.988	544	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]){1|N<2>,2|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	117.1690	0.553	58	117.1690	0.306	58	117.4645	0.988	544	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]){1|N<2>,2|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(H){2|C<3>}	115.7794	0.484	20	115.9792	0.670	24	117.4645	0.988	544	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]){2|H<1>,5|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(H){2|C<3>}	116.9778	1.436	4	115.9792	0.670	24	117.4645	0.988	544	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(H)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){3|H<1>,5|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(H){5|C<3>}	117.4770	0.000	1	117.4770	0.000	1	117.4645	0.988	544	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(H)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){4|C<3>,4|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(H){1|H<1>,2|C<3>}	118.1100	0.000	1	118.1100	0.000	1	117.4645	0.988	544	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|N<2>,3|C<3>,4|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	116.4823	0.615	7	117.8826	0.984	29	117.4645	0.988	544	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|N<3>,3|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	119.1735	0.374	2	117.8826	0.984	29	117.4645	0.988	544	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|N<4>,3|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	119.2730	0.000	1	117.8826	0.984	29	117.4645	0.988	544	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|Si<4>,3|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	118.2591	0.497	14	117.8826	0.984	29	117.4645	0.988	544	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){3|H<1>,5|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	117.7570	0.082	2	117.8826	0.984	29	117.4645	0.988	544	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){4|C<3>,4|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	118.1520	0.596	3	117.8826	0.984	29	117.4645	0.988	544	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(H)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|N<3>,1|O<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(N[6a]C[6a]){3|H<1>,5|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(H){3|C<3>}	117.3430	0.000	1	117.3430	0.000	1	117.4645	0.988	544	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(N[6a]C[6a]){1|N<2>,2|H<1>,5|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	118.2980	0.000	1	117.9810	0.201	2	117.4645	0.988	544	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(N[6a]C[6a]){1|N<2>,3|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	117.6640	0.000	1	117.9810	0.201	2	117.4645	0.988	544	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){3|H<1>,5|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	117.7180	0.379	3	117.7180	0.144	3	117.4645	0.988	544	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[5,6a]C[6a])(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]Br)(H)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|Br<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[5,6a]C[6a])(N[6a]C[6a]){1|O<2>,2|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]Br)(H){1|H<1>,2|C<3>}	118.4825	0.073	2	118.4825	0.005	2	117.4645	0.988	544	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[5,6a]C[6a])(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[5,6a]C[6a])(N[6a]C[6a]){1|C<2>,2|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	117.1490	0.000	1	117.5295	0.382	15	117.4645	0.988	544	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[5,6a]C[6a])(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[5,6a]C[6a])(N[6a]C[6a]){1|N<2>,2|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	117.6634	0.522	10	117.5295	0.382	15	117.4645	0.988	544	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[5,6a]C[6a])(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[5,6a]C[6a])(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	118.1340	0.000	1	117.5295	0.382	15	117.4645	0.988	544	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[5,6a]C[6a])(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[5,6a]C[6a])(N[6a]C[6a]){1|S<2>,2|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	117.4675	0.357	2	117.5295	0.382	15	117.4645	0.988	544	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[5,6a]C[6a])(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[5,6a]C[6a])(N[6a]C[6a]){1|N<3>,3|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	116.0910	0.000	1	117.5295	0.382	15	117.4645	0.988	544	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6,6a]C[6a])(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6,6a]C[6a])(N[6a]C[6a]){1|N<2>,2|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	117.5050	0.304	3	117.2727	0.307	6	117.4645	0.988	544	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6,6a]C[6a])(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6,6a]C[6a])(N[6a]C[6a]){1|O<2>,2|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	117.0403	0.716	3	117.2727	0.307	6	117.4645	0.988	544	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(H)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){3|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(H){1|H<1>,4|C<3>}	116.5500	0.816	3	116.5500	0.666	3	117.4645	0.988	544	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]Br)(H)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|Br<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){3|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]Br)(H){1|H<1>,2|C<3>}	118.5990	0.000	1	118.5990	0.000	1	117.4645	0.988	544	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(H)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|C<2>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){3|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(H){1|H<1>,2|C<3>}	117.5995	0.387	2	117.5583	0.286	6	117.4645	0.988	544	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(H)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|C<4>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(H){1|C<4>,2|C<3>}	117.3755	0.388	2	117.5583	0.286	6	117.4645	0.988	544	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(H)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|C<4>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){3|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(H){1|H<1>,2|C<3>}	117.7000	1.010	2	117.5583	0.286	6	117.4645	0.988	544	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|C<2>,2|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|C<2>,2|C<3>}	117.5370	0.023	2	117.5718	1.074	292	117.4645	0.988	544	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|C<2>,2|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	117.2116	0.528	5	117.5718	1.074	292	117.4645	0.988	544	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	117.3510	0.011	2	117.5718	1.074	292	117.4645	0.988	544	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|Cl<1>,2|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|Cl<1>,2|C<3>}	117.6860	0.214	2	117.5718	1.074	292	117.4645	0.988	544	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|N<2>,2|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	117.5051	0.450	8	117.5718	1.074	292	117.4645	0.988	544	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	117.5791	0.597	7	117.5718	1.074	292	117.4645	0.988	544	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>}	117.1875	0.139	2	117.5718	1.074	292	117.4645	0.988	544	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|O<2>,2|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	117.8750	0.000	1	117.5718	1.074	292	117.4645	0.988	544	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){2|H<1>,5|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	117.3770	0.094	4	117.5718	1.074	292	117.4645	0.988	544	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){2|H<1>,5|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){3|C<3>}	117.1044	0.712	14	117.5718	1.074	292	117.4645	0.988	544	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){3|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	117.6140	1.102	245	117.5718	1.074	292	117.4645	0.988	544	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])2(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|N<2>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])2(N[6a]C[6a]){1|H<1>,2|N<2>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(H){2|C<3>}	115.9292	0.867	12	115.9292	0.752	12	117.4645	0.988	544	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]O[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]O[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){3|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	117.1520	0.000	1	117.1520	0.000	1	117.4645	0.988	544	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:Br-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(Br)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|Br<1>,2|H<1>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	117.2310	0.000	1	117.2310	0.000	1	116.6340	0.271	3	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:Br-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(Br)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|Br<1>,2|O<2>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(Br){3|C<3>}	116.3355	0.087	2	116.3355	0.008	2	116.6340	0.271	3	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:Cl-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(Cl)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl){1|C<4>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){1|Cl<1>,2|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(Cl){1|H<1>,2|C<3>}	117.6445	0.139	4	117.6145	0.032	11	117.2434	0.301	82	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:Cl-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(Cl)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl){2|C<4>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(Cl){1|H<1>,2|C<3>}	117.4380	0.000	1	117.6145	0.032	11	117.2434	0.301	82	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:Cl-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(Cl)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl){2|C<4>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){1|Cl<1>,2|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(Cl){1|H<1>,2|C<3>}	117.6240	0.211	6	117.6145	0.032	11	117.2434	0.301	82	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:Cl-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(Cl)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){2|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(Cl){1|Cl<1>,2|C<3>}	116.9055	1.559	2	116.9055	2.431	2	117.2434	0.301	82	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:Cl-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]F)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(Cl)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl){1|F<1>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]F)(N[6a]C[6a]){1|Cl<1>,1|F<1>,1|H<1>,1|N<3>,2|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	116.8190	0.000	1	116.8190	0.000	1	117.2434	0.301	82	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:Cl-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(Cl)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,2|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(Cl){1|H<1>,2|C<3>}	117.2677	0.381	31	117.3029	0.186	50	117.2434	0.301	82	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:Cl-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(Cl)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(Cl){1|H<1>,2|C<3>}	117.6850	0.000	1	117.3029	0.186	50	117.2434	0.301	82	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:Cl-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(Cl)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(Cl){1|N<3>,2|C<3>}	116.1430	0.000	1	117.3029	0.186	50	117.2434	0.301	82	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:Cl-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(Cl)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(Cl){1|H<1>,2|C<3>}	117.3460	0.000	1	117.3029	0.186	50	117.2434	0.301	82	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:Cl-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(Cl)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,2|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(Cl){1|H<1>,2|C<3>}	117.4576	0.467	14	117.3029	0.186	50	117.2434	0.301	82	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:Cl-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(Cl)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,2|H<1>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(Cl){3|C<3>}	117.2230	0.000	1	117.3029	0.186	50	117.2434	0.301	82	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:Cl-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(Cl)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|Cl<1>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(Cl){1|Cl<1>,2|C<3>}	117.0420	0.000	1	117.3029	0.186	50	117.2434	0.301	82	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:Cl-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(Cl)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(Cl){1|C<4>,2|C<3>}	116.1380	0.000	1	116.7186	0.202	5	117.2434	0.301	82	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:Cl-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(Cl)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,1|N<2>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(Cl){1|N<2>,2|C<3>}	116.7430	0.000	1	116.7186	0.202	5	117.2434	0.301	82	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:Cl-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(Cl)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|Cl<1>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(Cl){1|Cl<1>,2|C<3>}	116.9040	0.429	3	116.7186	0.202	5	117.2434	0.301	82	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:Cl-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(Cl)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl){1|C<4>,1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){1|Cl<1>,2|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(Cl){1|H<1>,2|C<3>}	117.0820	0.000	1	117.6717	0.433	3	117.2434	0.301	82	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:Cl-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(Cl)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl){1|O<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){1|Cl<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(Cl){1|H<1>,2|C<3>}	118.3810	0.000	1	117.6717	0.433	3	117.2434	0.301	82	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:Cl-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(Cl)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl){1|O<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){1|Cl<1>,2|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(Cl){1|H<1>,2|C<3>}	117.5520	0.000	1	117.6717	0.433	3	117.2434	0.301	82	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:Cl-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(Cl)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl){1|C<4>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|Cl<1>,1|H<1>,5|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(Cl){2|C<3>}	117.1330	0.000	1	117.4810	0.242	2	117.2434	0.301	82	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:Cl-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(Cl)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl){1|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|Cl<1>,1|H<1>,5|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(Cl){2|C<3>}	117.8290	0.000	1	117.4810	0.242	2	117.2434	0.301	82	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:Cl-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(Cl)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(Cl){2|C<3>}	116.1960	0.000	1	116.6420	0.153	3	117.2434	0.301	82	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:Cl-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(Cl)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(Cl){2|C<3>}	116.8650	0.092	2	116.6420	0.153	3	117.2434	0.301	82	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:Cl-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]Cl)(Cl)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]Cl)(Cl){2|C<3>}	117.4210	0.000	1	117.4210	0.000	1	117.2434	0.301	82	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:Cl-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(Cl)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl){1|N<2>,2|C<3>,2|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(Cl){2|C<3>}	115.6170	0.000	1	115.6170	0.000	1	117.2434	0.301	82	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:Cl-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]N[6a]N)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(Cl)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl){1|O<1>,2|N<2>,2|N<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]N[6a]N)(N[6a]C[6a]){1|Cl<1>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(Cl){3|C<3>}	117.0860	0.027	2	117.0860	0.001	2	117.2434	0.301	82	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:Cl-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]N[6a]O)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(Cl)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl){1|H<1>,1|N<3>,1|O<1>,2|N<2>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]N[6a]O)(N[6a]C[6a]){1|Cl<1>,1|C<4>,2|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(Cl){2|C<3>}	115.7190	0.000	1	115.7190	0.000	1	117.2434	0.301	82	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]C)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]C)(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	117.4640	0.000	1	117.4640	0.000	1	117.1775	0.933	1055	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	117.2370	0.238	2	117.3299	0.123	7	117.1775	0.933	1055	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	117.1940	0.000	1	117.3299	0.123	7	117.1775	0.933	1055	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	117.4103	0.455	4	117.3299	0.123	7	117.1775	0.933	1055	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	118.9304	0.714	7	118.2651	1.984	29	117.1775	0.933	1055	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	118.0534	1.518	22	118.2651	1.984	29	117.1775	0.933	1055	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]2)(N[6a]C[6a]){1|C<4>,3|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	117.8820	0.000	1	117.4219	0.569	14	117.1775	0.933	1055	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]2)(N[6a]C[6a]){1|Cl<1>,3|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	117.5130	0.000	1	117.4219	0.569	14	117.1775	0.933	1055	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,3|C<3>,4|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	117.4050	0.243	2	117.4219	0.569	14	117.1775	0.933	1055	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]2)(N[6a]C[6a]){1|O<2>,3|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	117.3822	0.881	4	117.4219	0.569	14	117.1775	0.933	1055	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]2)(N[6a]C[6a]){4|C<3>,4|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	117.3622	0.976	6	117.4219	0.569	14	117.1775	0.933	1055	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]B)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|B<3>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]B)(N[6a]C[6a]){2|C<3>,4|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	117.9040	0.424	2	117.9040	0.180	2	117.1775	0.933	1055	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Br)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|Br<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Br)(N[6a]C[6a]){2|C<3>,4|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(H){1|H<1>,4|C<3>}	116.9700	0.204	2	116.9700	0.041	2	117.1775	0.933	1055	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Br)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]Br)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|Br<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Br)(N[6a]C[6a]){2|C<3>,4|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]Br)(H){1|H<1>,2|C<3>}	117.8720	0.000	1	117.8720	0.000	1	117.1775	0.933	1055	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Br)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|Br<1>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Br)(N[6a]C[6a]){2|C<3>,4|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	116.5853	0.442	3	116.5853	0.196	3	117.1775	0.933	1055	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){2|C<3>,4|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(H){1|H<1>,4|C<3>}	118.0440	0.000	2	118.0440	0.000	2	117.1775	0.933	1055	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){1|O<2>,2|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(H){1|O<2>,2|C<3>}	116.8675	0.170	2	116.8675	0.029	2	117.1775	0.933	1055	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]Cl)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|Cl<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){1|Cl<1>,2|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]Cl)(H){1|H<1>,2|C<3>}	117.4578	0.365	4	117.4578	0.133	4	117.1775	0.933	1055	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<2>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){1|C<2>,2|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	117.5990	0.000	1	116.9268	1.116	36	117.1775	0.933	1055	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<2>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){2|C<3>,4|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	116.8840	0.000	1	116.9268	1.116	36	117.1775	0.933	1055	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){1|Br<1>,2|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	117.8640	0.000	1	116.9268	1.116	36	117.1775	0.933	1055	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){1|Cl<1>,2|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|Cl<1>,2|C<3>}	116.9780	0.156	2	116.9268	1.116	36	117.1775	0.933	1055	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){1|N<3>,2|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>}	116.3183	0.708	4	116.9268	1.116	36	117.1775	0.933	1055	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){1|O<2>,2|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	116.8000	0.639	2	116.9268	1.116	36	117.1775	0.933	1055	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){2|C<3>,4|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	116.7614	1.396	17	116.9268	1.116	36	117.1775	0.933	1055	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){2|C<3>,4|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	117.4059	0.337	8	116.9268	1.116	36	117.1775	0.933	1055	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[5])(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[5])(N[6a]C[6a]){1|Fe<10>,2|C<3>,2|C<4>,4|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	116.3620	0.000	1	117.3599	1.418	9	117.1775	0.933	1055	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[5])(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[5])(N[6a]C[6a]){1|Ir<9>,2|C<3>,2|C<4>,4|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	117.1540	1.969	3	117.3599	1.418	9	117.1775	0.933	1055	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[5])(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[5])(N[6a]C[6a]){1|Rh<9>,2|C<3>,2|C<4>,4|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	117.3923	0.802	3	117.3599	1.418	9	117.1775	0.933	1055	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[5])(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[5])(N[6a]C[6a]){1|Ru<10>,2|C<3>,2|C<4>,4|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	118.1190	0.158	2	117.3599	1.418	9	117.1775	0.933	1055	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])(N[6a]C[6a]){2|C<3>,2|N<3>,5|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	117.2000	0.000	1	118.1385	1.762	2	117.1775	0.933	1055	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])(N[6a]C[6a]){1|N<3>,3|C<3>,4|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	119.0770	0.000	1	118.1385	1.762	2	117.1775	0.933	1055	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Cl)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]S)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|Cl<1>,1|S<4>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Cl)(N[6a]C[6a]){3|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]S)(H){3|C<3>}	116.4810	0.000	1	116.4810	0.000	1	117.1775	0.933	1055	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Ga)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|Ga<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Ga)(N[6a]C[6a]){2|C<3>,4|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	116.9233	0.204	3	116.9233	0.042	3	117.1775	0.933	1055	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,2|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(H){1|H<1>,4|C<3>}	118.4480	0.000	1	117.2981	0.390	10	117.1775	0.933	1055	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,2|H<1>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(H){5|C<3>}	117.0670	0.000	1	117.2981	0.390	10	117.1775	0.933	1055	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(H){1|N<3>,4|C<3>}	116.0460	0.000	1	117.2981	0.390	10	117.1775	0.933	1055	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,4|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(H){1|H<1>,4|C<3>}	117.3960	0.317	5	117.2981	0.390	10	117.1775	0.933	1055	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(H){5|C<3>}	117.2200	0.325	2	117.2981	0.390	10	117.1775	0.933	1055	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]Br)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|Br<1>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,4|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]Br)(H){1|H<1>,2|C<3>}	118.0790	0.000	1	118.0790	0.000	1	117.1775	0.933	1055	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<2>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>}	116.3257	0.227	7	117.1272	0.479	39	117.1775	0.933	1055	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<2>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,4|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(H){1|H<1>,2|C<3>}	117.9680	0.675	3	117.1272	0.479	39	117.1775	0.933	1055	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<2>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(H){3|C<3>}	117.4090	0.000	1	117.1272	0.479	39	117.1775	0.933	1055	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(H){1|H<1>,2|C<3>}	117.8130	0.000	1	117.1272	0.479	39	117.1775	0.933	1055	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>}	116.5940	0.000	1	117.1272	0.479	39	117.1775	0.933	1055	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,4|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(H){1|H<1>,2|C<3>}	117.7307	0.493	3	117.1272	0.479	39	117.1775	0.933	1055	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(H){3|C<3>}	116.5520	0.232	4	117.1272	0.479	39	117.1775	0.933	1055	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>}	117.9400	0.000	1	117.1272	0.479	39	117.1775	0.933	1055	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,2|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(H){1|Cl<1>,2|C<3>}	117.5210	0.000	1	117.1272	0.479	39	117.1775	0.933	1055	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>}	116.8150	0.533	4	117.1272	0.479	39	117.1775	0.933	1055	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,4|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(H){1|H<1>,2|C<3>}	117.5687	0.620	8	117.1272	0.479	39	117.1775	0.933	1055	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(H){3|C<3>}	117.0576	0.187	5	117.1272	0.479	39	117.1775	0.933	1055	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|Br<1>,1|N<3>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>}	116.2790	0.000	1	117.0616	1.451	281	117.1775	0.933	1055	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<2>,2|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	117.1436	0.505	5	117.0616	1.451	281	117.1775	0.933	1055	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>}	117.0083	0.582	74	117.0616	1.451	281	117.1775	0.933	1055	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,1|N<2>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>}	117.9940	3.670	2	117.0616	1.451	281	117.1775	0.933	1055	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>}	115.6908	0.398	48	117.0616	1.451	281	117.1775	0.933	1055	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|Cl<1>,2|C<3>}	116.5950	0.000	1	117.0616	1.451	281	117.1775	0.933	1055	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>}	116.3209	0.497	8	117.0616	1.451	281	117.1775	0.933	1055	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,1|S<2>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|S<2>,2|C<3>}	117.0235	0.488	6	117.0616	1.451	281	117.1775	0.933	1055	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,1|S<4>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|S<4>,2|C<3>}	118.0167	0.367	3	117.0616	1.451	281	117.1775	0.933	1055	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|I<1>,1|N<3>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>}	115.1480	0.000	1	117.0616	1.451	281	117.1775	0.933	1055	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|I<1>,2|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|I<1>,2|C<3>}	117.2190	0.000	1	117.0616	1.451	281	117.1775	0.933	1055	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	117.8912	0.981	8	117.0616	1.451	281	117.1775	0.933	1055	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,1|S<2>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|S<2>,2|C<3>}	116.9685	0.148	2	117.0616	1.451	281	117.1775	0.933	1055	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,1|S<4>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|S<4>,2|C<3>}	117.9160	0.000	1	117.0616	1.451	281	117.1775	0.933	1055	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	118.0115	0.381	2	117.0616	1.451	281	117.1775	0.933	1055	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>}	116.6325	0.272	2	117.0616	1.451	281	117.1775	0.933	1055	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|O<4>,2|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	118.6650	0.190	4	117.0616	1.451	281	117.1775	0.933	1055	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|S<4>,2|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|S<4>,2|C<3>}	117.7280	0.373	6	117.0616	1.451	281	117.1775	0.933	1055	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,4|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	117.9516	1.511	56	117.0616	1.451	281	117.1775	0.933	1055	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|Cl<1>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|Cl<1>,2|C<3>}	116.8100	0.576	2	117.0616	1.451	281	117.1775	0.933	1055	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	117.1880	0.000	1	117.0616	1.451	281	117.1775	0.933	1055	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){3|C<3>}	117.1794	1.068	47	117.0616	1.451	281	117.1775	0.933	1055	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]N)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,4|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	118.3640	0.000	1	117.8293	0.332	17	117.1775	0.933	1055	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]N)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]N)(H){1|C<4>,2|C<3>}	117.2875	0.043	2	117.8293	0.332	17	117.1775	0.933	1055	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]N)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,4|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	117.8685	0.583	14	117.8293	0.332	17	117.1775	0.933	1055	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]O)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	117.1400	0.000	1	117.1400	0.000	1	117.1775	0.933	1055	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]P)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|P<4>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]P)(H){3|C<3>}	117.5520	0.000	1	117.5520	0.000	1	117.1775	0.933	1055	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]S)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|S<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]S)(H){1|O<2>,2|C<3>}	116.9950	0.338	3	117.6613	0.608	7	117.1775	0.933	1055	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]S)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|S<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|S<2>,2|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]S)(H){1|S<2>,2|C<3>}	118.4035	0.145	2	117.6613	0.608	7	117.1775	0.933	1055	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]S)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|S<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|Se<2>,2|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]S)(H){1|Se<2>,2|C<3>}	118.5630	0.000	1	117.6613	0.608	7	117.1775	0.933	1055	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]S)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|S<4>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]S)(H){3|C<3>}	117.2740	0.000	1	117.6613	0.608	7	117.1775	0.933	1055	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]I)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|I<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]I)(N[6a]C[6a]){1|O<2>,2|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	116.5470	0.000	1	116.5470	0.000	1	117.1775	0.933	1055	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|N<3>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){1|O<2>,2|H<1>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(H){1|H<1>,4|C<3>}	116.9900	0.000	1	116.9900	0.000	1	117.1775	0.933	1055	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){1|I<1>,2|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	117.8680	0.000	1	117.3045	0.580	259	117.1775	0.933	1055	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){1|N<3>,2|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	116.7840	0.000	1	117.3045	0.580	259	117.1775	0.933	1055	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){2|C<3>,4|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	117.0595	0.385	11	117.3045	0.580	259	117.1775	0.933	1055	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){1|Br<1>,1|N<3>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	116.8330	0.000	1	117.3045	0.580	259	117.1775	0.933	1055	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){1|Br<1>,2|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	117.2902	0.752	6	117.3045	0.580	259	117.1775	0.933	1055	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){1|C<4>,2|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>}	117.0060	0.000	1	117.3045	0.580	259	117.1775	0.933	1055	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){1|C<4>,2|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	117.7740	0.180	5	117.3045	0.580	259	117.1775	0.933	1055	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){1|Cl<1>,2|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	117.0530	0.000	1	117.3045	0.580	259	117.1775	0.933	1055	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){1|F<1>,2|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	117.5510	0.150	2	117.3045	0.580	259	117.1775	0.933	1055	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){1|N<2>,2|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	117.0660	0.000	1	117.3045	0.580	259	117.1775	0.933	1055	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){1|N<3>,2|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	117.5997	0.090	3	117.3045	0.580	259	117.1775	0.933	1055	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){1|O<2>,1|S<4>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	117.1560	0.000	1	117.3045	0.580	259	117.1775	0.933	1055	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){1|O<2>,2|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	117.4889	0.204	7	117.3045	0.580	259	117.1775	0.933	1055	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){1|O<2>,2|H<1>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	117.5330	0.000	1	117.3045	0.580	259	117.1775	0.933	1055	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){1|P<4>,2|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	117.2380	0.095	2	117.3045	0.580	259	117.1775	0.933	1055	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){1|P<4>,2|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|P<4>,2|C<3>}	117.4120	0.000	1	117.3045	0.580	259	117.1775	0.933	1055	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){1|S<2>,2|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	117.9130	0.587	2	117.3045	0.580	259	117.1775	0.933	1055	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){1|S<4>,2|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	117.7313	0.047	4	117.3045	0.580	259	117.1775	0.933	1055	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){2|Br<1>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	117.0932	0.670	4	117.3045	0.580	259	117.1775	0.933	1055	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){2|C<3>,2|H<1>,2|N<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	117.8390	0.000	1	117.3045	0.580	259	117.1775	0.933	1055	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){2|C<3>,4|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	117.2788	0.830	197	117.3045	0.580	259	117.1775	0.933	1055	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){3|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	117.9363	0.358	4	117.3045	0.580	259	117.1775	0.933	1055	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){3|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){3|C<3>}	116.6400	0.000	1	117.3045	0.580	259	117.1775	0.933	1055	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<4>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){2|C<3>,4|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	116.8320	0.000	1	117.3045	0.580	259	117.1775	0.933	1055	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[4])(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[4])(N[6a]C[6a]){1|C<4>,1|I<1>,3|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	117.8285	0.305	2	117.6099	0.035	8	117.1775	0.933	1055	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[4])(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[4])(N[6a]C[6a]){1|C<4>,3|C<3>,4|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	117.5370	0.073	6	117.6099	0.035	8	117.1775	0.933	1055	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[5])(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[5])(N[6a]C[6a]){1|C<4>,3|C<3>,4|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	117.1752	0.976	9	116.9191	0.460	21	117.1775	0.933	1055	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[5])(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[5])(N[6a]C[6a]){4|C<3>,4|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	116.7271	0.223	12	116.9191	0.460	21	117.1775	0.933	1055	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[6])(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[6])(N[6a]C[6a]){1|In<4>,3|C<3>,4|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	119.0155	0.639	4	118.4245	1.090	6	117.1775	0.933	1055	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[6])(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[6])(N[6a]C[6a]){1|S<4>,3|C<3>,4|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	117.2425	0.183	2	118.4245	1.090	6	117.1775	0.933	1055	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){1|Br<1>,2|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|Br<1>,2|C<3>}	116.9110	0.000	1	117.3931	0.443	133	117.1775	0.933	1055	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){1|Br<1>,2|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	118.1440	0.000	1	117.3931	0.443	133	117.1775	0.933	1055	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){1|C<2>,2|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	116.7720	0.000	1	117.3931	0.443	133	117.1775	0.933	1055	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){1|C<4>,2|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	116.6372	0.566	5	117.3931	0.443	133	117.1775	0.933	1055	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	117.4780	0.149	4	117.3931	0.443	133	117.1775	0.933	1055	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){1|Cl<1>,2|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	117.3100	0.000	1	117.3931	0.443	133	117.1775	0.933	1055	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){1|I<1>,1|S<4>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	117.6243	0.291	3	117.3931	0.443	133	117.1775	0.933	1055	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){1|N<2>,2|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	116.9545	0.431	2	117.3931	0.443	133	117.1775	0.933	1055	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){1|N<3>,2|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	117.1710	0.000	1	117.3931	0.443	133	117.1775	0.933	1055	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){1|P<4>,2|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|P<4>,2|C<3>}	116.7830	0.000	1	117.3931	0.443	133	117.1775	0.933	1055	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){1|S<4>,2|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	117.7142	0.282	5	117.3931	0.443	133	117.1775	0.933	1055	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){2|Br<1>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	117.4210	1.025	5	117.3931	0.443	133	117.1775	0.933	1055	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){2|C<3>,2|H<1>,2|I<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	118.7900	0.000	1	117.3931	0.443	133	117.1775	0.933	1055	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){2|C<3>,4|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	117.4108	0.680	92	117.3931	0.443	133	117.1775	0.933	1055	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){2|Cl<1>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	117.6720	0.451	3	117.3931	0.443	133	117.1775	0.933	1055	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){3|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	117.4543	0.397	6	117.3931	0.443	133	117.1775	0.933	1055	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){3|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){3|C<3>}	116.3160	0.000	1	117.3931	0.443	133	117.1775	0.933	1055	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]P)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|P<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]P)(N[6a]C[6a]){2|C<3>,4|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	117.2340	0.000	1	117.2340	0.000	1	117.1775	0.933	1055	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]S)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|S<3>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]S)(N[6a]C[6a]){2|C<3>,4|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(H){1|H<1>,4|C<3>}	117.0850	0.000	1	117.0850	0.000	1	117.1775	0.933	1055	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]S)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|S<4>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]S)(N[6a]C[6a]){2|C<3>,4|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(H){1|H<1>,2|C<3>}	116.9790	0.000	1	116.9790	0.000	1	117.1775	0.933	1055	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]S)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|S<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]S)(N[6a]C[6a]){2|C<3>,4|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	117.0850	0.066	2	117.1124	0.177	22	117.1775	0.933	1055	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]S)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|S<4>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]S)(N[6a]C[6a]){2|C<3>,4|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	117.1151	0.442	20	117.1124	0.177	22	117.1775	0.933	1055	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Si)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|Si<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Si)(N[6a]C[6a]){1|Si<4>,1|B<3>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	118.1340	0.000	1	118.1023	0.277	3	117.1775	0.933	1055	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Si)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|Si<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Si)(N[6a]C[6a]){2|C<3>,4|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	118.0865	0.743	2	118.1023	0.277	3	117.1775	0.933	1055	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]N[6a]O)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]N[6a]O)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(H){1|H<1>,2|C<3>}	117.1700	0.000	1	117.1700	0.000	1	117.1775	0.933	1055	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]N[6a]O)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]N[6a]O)(N[6a]C[6a]){1|Cl<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|Cl<1>,2|C<3>}	117.0410	0.301	2	117.0410	0.091	2	117.1775	0.933	1055	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5,6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5,6a]H)(N[6a]C[6a]){1|S<2>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(H){2|C<3>}	115.4377	1.174	3	115.4377	1.378	3	117.1775	0.933	1055	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6,6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6,6a]H)(N[6a]C[6a]){1|C<4>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(H){2|C<3>}	115.6645	0.371	8	115.6645	0.138	8	117.1775	0.933	1055	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(H){2|C<3>}	115.8030	0.000	1	115.8030	0.000	1	117.1775	0.933	1055	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]C[6a])(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]C[6a])(N[6a]C[6a]){1|H<1>,6|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(H){2|C<3>}	118.9790	0.283	2	118.9790	0.080	2	117.1775	0.933	1055	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a]){2|H<1>,5|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(H){2|C<3>}	116.8685	0.286	2	116.8685	0.082	2	117.1775	0.933	1055	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(N[6a]C[6a]){1|P<3>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|P<3>,2|C<3>}	116.8810	0.000	1	116.8810	0.000	1	117.1775	0.933	1055	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C[5])(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C[5])(N[6a]C[6a]){1|Rh<9>,2|C<3>,2|C<4>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	117.1955	0.190	2	117.2953	0.048	3	117.1775	0.933	1055	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C[5])(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C[5])(N[6a]C[6a]){4|C<3>,4|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	117.4950	0.000	1	117.2953	0.048	3	117.1775	0.933	1055	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Cl)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]N)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|Cl<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Cl)(N[6a]C[6a]){2|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]N)(H){2|C<3>}	116.8700	0.000	1	116.8700	0.000	1	117.1775	0.933	1055	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>}	116.3683	0.274	3	116.3414	0.045	5	117.1775	0.933	1055	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|P<3>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|P<3>,2|C<3>}	116.3010	0.160	2	116.3414	0.045	5	117.1775	0.933	1055	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<2>,1|H<1>,1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(H){2|C<3>}	116.7790	0.000	1	116.2153	0.107	15	117.1775	0.933	1055	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(H){2|C<3>}	116.0723	0.119	3	116.2153	0.107	15	117.1775	0.933	1055	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|Br<1>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(H){2|C<3>}	116.9510	0.000	1	116.2153	0.107	15	117.1775	0.933	1055	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(H){2|C<3>}	116.1282	0.228	10	116.2153	0.107	15	117.1775	0.933	1055	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]Cl)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]Cl)(H){2|C<3>}	116.6970	0.000	1	116.6970	0.000	1	117.1775	0.933	1055	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|S<2>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(H){2|C<3>}	115.7650	0.764	2	116.6498	0.390	37	117.1775	0.933	1055	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(H){2|C<3>}	116.7004	0.589	35	116.6498	0.390	37	117.1775	0.933	1055	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]N)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]N)(H){2|C<3>}	116.7169	0.889	12	116.7169	0.790	12	117.1775	0.933	1055	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(H){2|C<3>}	115.7533	0.415	3	116.5529	0.236	16	117.1775	0.933	1055	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(H){2|C<3>}	116.6896	0.209	12	116.5529	0.236	16	117.1775	0.933	1055	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,4|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(H){1|H<1>,2|C<3>}	117.3110	0.000	1	116.5529	0.236	16	117.1775	0.933	1055	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]P)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|P<4>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]P)(H){2|C<3>}	116.3520	0.414	3	116.3520	0.171	3	117.1775	0.933	1055	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]S)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]S)(H){2|C<3>}	116.3730	0.000	1	116.3730	0.000	1	117.1775	0.933	1055	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]P)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|P<3>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]P)(N[6a]C[6a]){1|C<4>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>}	115.8340	0.000	1	116.6450	0.494	3	117.1775	0.933	1055	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]P)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|P<3>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]P)(N[6a]C[6a]){2|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	117.0505	0.043	2	116.6450	0.494	3	117.1775	0.933	1055	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,2|C<3>,2|N<2>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(H){2|C<3>}	116.3415	0.057	2	116.3415	0.003	2	117.1775	0.933	1055	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]N[6a]O)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|N<2>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]N[6a]O)(N[6a]C[6a]){2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(H){2|C<3>}	115.9815	0.747	2	115.9815	0.559	2	117.1775	0.933	1055	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]N[6a]O)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|O<1>,2|N<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]N[6a]O)(N[6a]C[6a]){1|C<4>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(H){2|C<3>}	116.4290	0.000	1	116.1405	0.166	2	117.1775	0.933	1055	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]N[6a]O)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,2|N<2>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]N[6a]O)(N[6a]C[6a]){1|C<4>,1|H<1>,2|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(H){2|C<3>}	115.8520	0.000	1	116.1405	0.166	2	117.1775	0.933	1055	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:I-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]I)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(I)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]I){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,2|H<1>,2|I<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(I){1|I<1>,4|C<3>}	117.2763	0.322	3	117.2763	0.104	3	117.4485	0.188	4	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:I-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]I)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(I)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]I){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|I<1>,1|O<2>,2|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(I){2|C<3>}	117.9650	0.000	1	117.9650	0.000	1	117.4485	0.188	4	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-3:Cl-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]Cl)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]H)(Cl)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]Cl){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,1|C<3>,1|N<3>,1|O<1>,2|H<1>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]H)(Cl){1|O<1>,2|C<3>}	115.8060	0.000	1	115.8060	0.000	1	115.8060	0.000	1	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H){2|C<4>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(H){1|O<1>,2|C<3>}	116.4350	0.000	1	116.4350	0.000	1	116.3056	0.203	21	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(H){1|O<1>,4|C<3>}	116.4596	0.393	5	116.4596	0.155	5	116.3056	0.203	21	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(H){1|O<1>,2|C<3>}	116.2970	0.381	11	116.2970	0.145	11	116.3056	0.203	21	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|F<1>,1|N<3>,1|O<1>,2|H<1>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]H)(H){1|O<1>,2|C<3>}	115.9570	0.000	1	115.9315	0.001	2	116.3056	0.203	21	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|O<1>,2|H<1>,2|N<3>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]H)(H){1|O<1>,2|C<3>}	115.9060	0.000	1	115.9315	0.001	2	116.3056	0.203	21	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]S)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H){1|H<1>,1|S<4>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]S)(H){1|O<1>,2|C<3>}	117.1650	0.000	1	117.1650	0.000	1	116.3056	0.203	21	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){1|Cl<1>,1|C<3>,1|N<3>,1|O<1>,2|H<1>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]H)(H){1|O<1>,2|C<3>}	115.3900	0.000	1	115.3900	0.000	1	116.3056	0.203	21	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(N[6a]C[6a]C)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]Br)(H)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H){1|Br<1>,1|C<4>,3|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(N[6a]C[6a]C)(N[6a]C[6a]){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|N<3>}	117.4230	0.000	1	117.4230	0.000	1	117.0257	0.582	19	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]H)(N[6a]C[6a]){1|O<1>,2|H<1>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	116.2850	0.000	1	116.2850	0.000	1	117.0257	0.582	19	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(H)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H){1|C<4>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C)(N[6a]C[6a]){1|C<3>,1|N<3>,2|H<1>,2|O<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|N<3>}	117.0525	0.272	4	117.0525	0.074	4	117.0257	0.582	19	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C)(N[6a]C[6a]){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	117.2528	0.274	4	117.1146	0.086	7	117.0257	0.582	19	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C)(N[6a]C[6a]){1|O<1>,2|H<1>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	116.9303	0.240	3	117.1146	0.086	7	117.0257	0.582	19	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C[6])(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C[6])(N[6a]C[6a]){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	117.2780	0.000	1	117.2780	0.000	1	117.0257	0.582	19	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]H)(N[6a]C[6a]){1|O<1>,2|H<1>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	116.6220	0.000	1	116.6220	0.000	1	117.0257	0.582	19	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a]C)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]Br)(H)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|N<3>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a]C)(N[6a]C[6a]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|N<3>}	118.4150	0.390	2	118.4150	0.152	2	117.0257	0.582	19	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a]C)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]Cl)(H)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a]C)(N[6a]C[6a]){1|C<3>,1|H<1>,1|O<1>,2|N<2>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]Cl)(H){1|C<3>,1|N<3>}	115.2040	0.000	1	115.2040	0.000	1	117.0257	0.582	19	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a]C)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a]C)(N[6a]C[6a]){1|C<3>,1|H<1>,1|N<3>,2|O<1>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(H){1|C<3>,1|N<3>}	115.8340	0.000	1	115.8340	0.000	1	117.0257	0.582	19	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C[5])(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]H)(O)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C[5])(N[6a]C[6a]){1|C<4>,1|N<2>,1|O<2>,2|H<1>,2|N<3>,2|O<1>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]H)(O){1|C<3>,1|N<3>,1|O<1>}	116.7643	0.324	3	116.7643	0.105	3	118.1172	1.082	12	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5a,6a]C)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O){1|N<2>,2|C<3>,2|C<4>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5a,6a]C)(N[6a]C[6a]){1|N<3>,2|C<3>,2|O<1>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(O){1|C<3>,1|N<3>,1|O<1>}	119.5510	0.000	1	119.5510	0.000	1	118.1172	1.082	12	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]C)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O){1|N<2>,2|C<3>,2|C<4>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]C)(N[6a]C[6a]){1|N<3>,2|C<3>,2|O<1>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(O){1|C<3>,1|N<3>,1|O<1>}	118.8920	0.324	5	118.8920	0.105	5	118.1172	1.082	12	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]C)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]H)(O)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]C)(N[6a]C[6a]){1|N<3>,2|C<3>,2|O<1>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]H)(O){1|C<3>,1|N<3>,1|O<1>}	117.5160	0.030	2	117.5160	0.001	2	118.1172	1.082	12	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]C[6a])(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]H)(O)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]C[6a])(N[6a]C[6a]){1|N<3>,2|O<1>,4|C<3>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]H)(O){1|C<3>,1|N<3>,1|O<1>}	118.0700	0.000	1	118.0700	0.000	1	118.1172	1.082	12	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a]C[5a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]Cl)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|Cl<1>,4|C<3>}	C[6a,6a](C[6a]C[5a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|Cl<1>,1|N<2>,1|O<2>,2|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]Cl)(H){1|H<1>,2|C<3>}	117.8550	0.608	2	117.8550	0.370	2	116.8078	0.420	26	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a]C[5a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a,6a](C[6a]C[5a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){4|C<3>,4|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	117.3390	0.337	4	117.3390	0.113	4	116.8078	0.420	26	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a]C[6a,6a]Br)(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|Br<1>,4|C<3>}	C[6a,6a](C[6a]C[6a,6a]Br)(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|O<2>,2|H<1>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(H){1|O<2>,2|C<3>}	117.1190	0.000	1	117.1190	0.000	1	116.8078	0.420	26	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a]C[6a]N[5a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a]C[6a]N[5a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|B<4>,3|C<3>,4|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	116.8000	0.000	1	116.8000	0.000	1	116.8078	0.420	26	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a]C[6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a]C[6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|N<2>,3|C<3>,4|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	117.4000	0.000	1	116.5565	0.308	18	116.8078	0.420	26	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a]C[6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a]C[6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){4|C<3>,4|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	116.5069	0.529	17	116.5565	0.308	18	116.8078	0.420	26	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	N[5,6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]N[5,6a])(C[6a]C[6a]H)	C[6a,6a](N[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]N[5,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a,6a](N[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	115.7580	0.000	1	115.5040	0.137	3	115.5040	0.137	3	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	N[5,6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]N[5,6a])(C[6a]C[6a]H)	C[6a,6a](N[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]N[5,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a,6a](N[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|N<3>,3|C<3>,4|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	115.0800	0.000	1	115.5040	0.137	3	115.5040	0.137	3	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	N[5,6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]N[5,6a])(C[6a]C[6a]H)	C[6a,6a](N[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]N[5,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a,6a](N[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|Pd<4>,1|N<3>,3|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	115.6740	0.000	1	115.5040	0.137	3	115.5040	0.137	3	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]H)	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(N[6a]C[6a]){1|C<4>,2|C<3>,2|H<1>,2|N<2>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	116.1890	0.271	4	116.1890	0.073	4	116.1890	0.073	4	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]N[6a,6a])(C[6a]C[6a]H)	C[6a,6a](N[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]N[6a,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a,6a](N[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){2|Cl<1>,1|H<1>,1|N<2>,1|O<1>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|N<3>}	117.6605	0.441	2	117.6605	0.194	2	117.6605	0.194	2	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:Cl-1:	N[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]Cl)	C[6a,6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]Cl)(Cl)	N[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]Cl){2|Cl<1>,3|C<3>}	C[6a,6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)(N[6a]C[6a]){2|Cl<1>,1|N<2>,1|O<1>,2|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]Cl)(Cl){1|C<3>,1|N<3>,1|O<1>}	117.5500	0.967	2	117.5500	0.936	2	117.5500	0.936	2	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|N<2>,1|O<1>,1|S<2>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|O<1>}	117.2950	0.000	1	117.1397	0.148	3	117.1397	0.148	3	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|O<1>}	117.4220	0.000	1	117.1397	0.148	3	117.1397	0.148	3	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:H-1:	N[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|O<1>,2|H<1>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|O<1>}	116.7020	0.000	1	117.1397	0.148	3	117.1397	0.148	3	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	N[6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a]-2:N[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)	C[6a,6a](N[6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(O)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O){5|C<3>}	C[6a,6a](N[6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|H<1>,1|N<3>,2|O<1>,4|C<3>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(O){1|N<3>,1|O<1>,3|C<3>}	118.7020	0.286	2	118.7020	0.082	2	118.7020	0.082	2	117.1822	1.007	1985	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:2:	C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a]-2:N[6a]-3:O-2:	N[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]N[6a]O)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(OC[6a])	N[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]N[6a]O){5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|C<3>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,1|S<2>,2|C<4>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(OC[6a]){1|O<1>,4|C<3>}	116.5590	0.000	1	116.5590	0.000	1	116.8370	0.101	3	116.4754	0.810	235	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:2:	C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a]-2:N[6a]-3:O-2:	N[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]N[6a]O)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(OC[6a])	N[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]N[6a]O){5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|C<3>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,1|S<2>,2|C<4>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(OC[6a]){1|O<1>,4|C<3>}	116.9760	0.293	2	116.9760	0.086	2	116.8370	0.101	3	116.4754	0.810	235	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:2:	C[6a,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:O-2:	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]O)	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(OC)	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]O){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|O<2>,3|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	116.2380	0.000	1	116.2380	0.000	1	116.2380	0.000	1	116.4754	0.810	235	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-2:	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CN)	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]C){1|C<2>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a]){1|C<2>,1|H<1>,1|N<3>,4|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CN){2|C<3>}	116.1953	0.572	10	116.1953	0.327	10	116.1810	0.297	11	116.4754	0.810	235	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-2:	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CN)	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]C){1|C<2>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a]){1|C<2>,1|H<1>,1|N<3>,4|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CN){2|C<3>}	116.0380	0.000	1	116.0380	0.000	1	116.1810	0.297	11	116.4754	0.810	235	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a]-2:C[6]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]N[6a]C[6])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6,6a]N[6a])(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6]C[6]N[6])(N[6a]N[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]N[6a]C[6]){1|N<2>,1|N<3>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6,6a]N[6a])(N[6a]C[6a]){1|H<1>,2|N<2>,4|C<3>}	C[6a](N[6a]C[6a,6a])(C[6]C[6]N[6])(N[6a]N[6a]){2|H<1>,4|C<3>}	115.0640	0.000	1	115.0640	0.000	1	115.0640	0.000	1	116.4754	0.810	235	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-2:	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6,6a]N[6a])(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CN)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C){1|C<2>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6,6a]N[6a])(N[6a]C[6a]){1|C<2>,1|H<1>,1|N<2>,4|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CN){2|C<3>}	116.2570	0.000	1	116.2570	0.000	1	115.8653	0.289	35	116.4754	0.810	235	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-2:	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CN)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C){1|C<2>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]){1|C<2>,1|H<1>,1|N<2>,4|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CN){2|C<3>}	116.5931	0.325	7	116.5931	0.106	7	115.8653	0.289	35	116.4754	0.810	235	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-2:	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])2(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CN)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C){1|C<2>,2|C<3>,2|N<2>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])2(N[6a]C[6a]){1|C<2>,2|N<2>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CN){2|C<3>}	115.6131	0.376	25	115.6131	0.142	25	115.8653	0.289	35	116.4754	0.810	235	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-2:	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])2(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(CN)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C){1|O<2>,2|C<3>,2|N<2>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])2(N[6a]C[6a]){1|C<2>,2|N<2>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(CN){2|C<3>}	116.2740	0.154	2	116.2740	0.024	2	115.8653	0.289	35	116.4754	0.810	235	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]N[6a])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]N[6a]){6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	115.4650	0.000	1	117.4730	1.912	4	117.4730	1.912	4	116.4754	0.810	235	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]N[6a])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]N[6a]){6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,5|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]){2|H<1>,5|C<3>}	117.9490	0.369	2	117.4730	1.912	4	117.4730	1.912	4	116.4754	0.810	235	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]N[6a])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]N[6a]){6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<4>,5|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]){2|H<1>,5|C<3>}	118.5290	0.000	1	117.4730	1.912	4	117.4730	1.912	4	116.4754	0.810	235	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:O-2:	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(OC)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]O){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|O<2>,2|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	117.4255	0.269	2	117.4255	0.073	2	117.0496	0.573	8	116.4754	0.810	235	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:O-2:	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(OC[6])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]O){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|O<2>,2|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(OC[6]){1|H<1>,2|C<3>}	117.5925	0.333	2	117.5925	0.111	2	117.0496	0.573	8	116.4754	0.810	235	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:O-2:	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(OC[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]O){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|O<2>,2|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(OC[6a]){1|H<1>,2|C<3>}	117.8260	0.000	1	117.8260	0.000	1	117.0496	0.573	8	116.4754	0.810	235	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:O-2:	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])2(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(OC)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]O){1|C<2>,2|C<3>,2|N<2>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])2(N[6a]C[6a]){1|O<2>,2|N<2>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(OC){2|C<3>}	116.1783	0.195	3	116.1783	0.038	3	117.0496	0.573	8	116.4754	0.810	235	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CC)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<2>,2|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CC){1|H<1>,2|C<3>}	118.1777	0.204	3	118.1777	0.041	3	116.5511	0.734	18	116.4754	0.810	235	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CN)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<2>,2|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CN){1|H<1>,2|C<3>}	117.1200	0.569	2	117.1200	0.323	2	116.5511	0.734	18	116.4754	0.810	235	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CC)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<2>,1|H<1>,1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<2>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CC){2|C<3>}	116.2805	0.009	2	116.2805	0.000	2	116.5511	0.734	18	116.4754	0.810	235	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CN)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<2>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CN){2|C<3>}	116.0780	0.000	1	116.0780	0.000	1	116.5511	0.734	18	116.4754	0.810	235	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(CN)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|N<2>,2|C<3>,2|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<2>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(CN){2|C<3>}	115.5760	0.000	1	115.5760	0.000	1	116.5511	0.734	18	116.4754	0.810	235	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]N[6a]O)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CN)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<2>,1|N<2>,1|O<1>,2|N<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]N[6a]O)(N[6a]C[6a]){1|C<2>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CN){2|C<3>}	116.1036	0.213	9	116.1036	0.045	9	116.5511	0.734	18	116.4754	0.810	235	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a]){1|C<4>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	116.3170	0.000	1	116.3170	0.000	1	116.4968	0.355	49	116.4754	0.810	235	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]F)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a]){1|F<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]F)(N[6a]C[6a]){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	115.7140	0.000	1	115.7140	0.000	1	116.4968	0.355	49	116.4754	0.810	235	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a]){1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|Br<1>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|O<2>,2|H<1>,4|C<3>}	116.4720	0.000	1	116.4944	0.291	37	116.4968	0.355	49	116.4754	0.810	235	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a]){1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	116.0220	0.000	1	116.4944	0.291	37	116.4968	0.355	49	116.4754	0.810	235	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a]){1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|F<1>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	116.5745	0.180	2	116.4944	0.291	37	116.4968	0.355	49	116.4754	0.810	235	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a]){1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	115.7407	0.392	3	116.4944	0.291	37	116.4968	0.355	49	116.4754	0.810	235	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a]){1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|O<2>,2|H<1>,4|C<3>}	116.8420	0.126	2	116.4944	0.291	37	116.4968	0.355	49	116.4754	0.810	235	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a]){1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,1|S<2>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|S<2>,2|H<1>,4|C<3>}	116.3100	0.000	1	116.4944	0.291	37	116.4968	0.355	49	116.4754	0.810	235	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a]){1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|H<1>,2|I<1>,4|C<3>}	116.4910	0.000	1	116.4944	0.291	37	116.4968	0.355	49	116.4754	0.810	235	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a]){1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]){3|H<1>,4|C<3>}	116.8060	0.379	3	116.4944	0.291	37	116.4968	0.355	49	116.4754	0.810	235	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a]){1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|H<1>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|H<1>,1|N<3>,5|C<3>}	115.6530	0.000	1	116.4944	0.291	37	116.4968	0.355	49	116.4754	0.810	235	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a]){1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|H<1>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|H<1>,1|O<2>,5|C<3>}	117.3700	1.635	2	116.4944	0.291	37	116.4968	0.355	49	116.4754	0.810	235	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a]){1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|H<1>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]){2|C<4>,5|C<3>}	115.8640	0.000	1	116.4944	0.291	37	116.4968	0.355	49	116.4754	0.810	235	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a]){1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|H<1>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]){2|F<1>,5|C<3>}	115.7860	0.000	1	116.4944	0.291	37	116.4968	0.355	49	116.4754	0.810	235	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a]){1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|H<1>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]){2|H<1>,5|C<3>}	116.6192	0.245	17	116.4944	0.291	37	116.4968	0.355	49	116.4754	0.810	235	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a]){1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|Pd<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	115.9550	0.000	1	116.4944	0.291	37	116.4968	0.355	49	116.4754	0.810	235	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a]){1|H<1>,2|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]2)(N[6a]C[6a]){1|H<1>,4|C<3>}	116.3000	0.000	1	116.3000	0.000	1	116.4968	0.355	49	116.4754	0.810	235	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]C[6a])(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]N[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a]){1|N<3>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]C[6a])(N[6a]C[6a]){1|H<1>,2|N<2>,5|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]N[6a]){2|H<1>,5|C<3>}	117.3940	0.045	2	117.3940	0.002	2	116.4968	0.355	49	116.4754	0.810	235	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]N[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a]){1|H<1>,1|N<3>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]H)(N[6a]C[6a]){1|H<1>,2|N<2>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]N[6a]){2|H<1>,5|C<3>}	117.0033	0.257	3	117.0033	0.066	3	116.4968	0.355	49	116.4754	0.810	235	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]N[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a]){1|H<1>,1|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<2>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]N[6a]){2|H<1>,4|C<3>}	115.4855	0.368	2	115.9805	0.768	4	116.4968	0.355	49	116.4754	0.810	235	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]N[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a]){1|H<1>,1|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]N[6a]){2|H<1>,4|C<3>}	115.7050	0.000	1	115.9805	0.768	4	116.4968	0.355	49	116.4754	0.810	235	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]N[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a]){1|H<1>,1|N<3>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|H<1>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]N[6a]){2|H<1>,5|C<3>}	117.2460	0.000	1	115.9805	0.768	4	116.4968	0.355	49	116.4754	0.810	235	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:O-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(OC)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])(N[6a]C[6a]){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	117.4130	0.000	1	117.4130	0.000	1	116.5089	0.880	64	116.4754	0.810	235	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:O-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(OC)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(OC){1|H<1>,2|C<3>}	117.1684	0.489	13	117.1734	0.253	21	116.5089	0.880	64	116.4754	0.810	235	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:O-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(OC)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(OC){1|H<1>,2|C<3>}	117.5563	0.330	4	117.1734	0.253	21	116.5089	0.880	64	116.4754	0.810	235	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:O-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(OC)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|H<1>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(OC){3|C<3>}	116.8070	0.496	4	117.1734	0.253	21	116.5089	0.880	64	116.4754	0.810	235	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:O-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(OC[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(OC[6a]){1|H<1>,2|C<3>}	116.8080	0.000	1	116.8080	0.000	1	116.5089	0.880	64	116.4754	0.810	235	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:O-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(OPd)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(OPd){1|H<1>,2|C<3>}	119.5360	0.000	1	119.5360	0.000	1	116.5089	0.880	64	116.4754	0.810	235	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:O-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(OC)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|H<1>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(OC){3|C<3>}	116.7934	0.725	5	116.7934	0.526	5	116.5089	0.880	64	116.4754	0.810	235	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:O-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(OC[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(OC[6a]){1|C<4>,2|C<3>}	116.2255	0.298	2	116.2255	0.089	2	116.5089	0.880	64	116.4754	0.810	235	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:O-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(OC)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){1|O<2>,1|P<4>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	117.9250	0.000	1	117.9250	0.000	1	116.5089	0.880	64	116.4754	0.810	235	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:O-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[6])(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(OC)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[6])(N[6a]C[6a]){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	116.9460	0.000	1	116.9460	0.000	1	116.5089	0.880	64	116.4754	0.810	235	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:O-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(OC)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|H<1>,1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){2|Cl<1>,1|H<1>,1|O<2>,2|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	116.8073	0.456	3	116.8073	0.208	3	116.5089	0.880	64	116.4754	0.810	235	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:O-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(OC)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(OC){2|C<3>}	116.0625	0.144	2	116.1130	0.018	3	116.5089	0.880	64	116.4754	0.810	235	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:O-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(OC)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(OC){2|C<3>}	116.2140	0.000	1	116.1130	0.018	3	116.5089	0.880	64	116.4754	0.810	235	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:O-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(OC[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|N<2>,2|C<3>,2|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(OC[6a]){2|C<3>}	115.3635	0.325	15	115.3635	0.106	15	116.5089	0.880	64	116.4754	0.810	235	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:O-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(OC)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(OC){1|C<4>,2|C<3>}	117.0625	0.117	2	117.0625	0.014	2	116.5089	0.880	64	116.4754	0.810	235	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:O-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(OC[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(OC[6a]){2|C<3>}	115.9426	0.277	8	115.9426	0.077	8	116.5089	0.880	64	116.4754	0.810	235	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:O[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O[6a])	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(O[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O[6a]){1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(O[6a]C[6a]){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	117.9530	0.000	1	117.1991	1.405	8	117.1991	1.405	8	116.4754	0.810	235	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:O[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O[6a])	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(O[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O[6a]){1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(O[6a]C[6a]){1|O<1>,2|H<1>,4|C<3>}	118.1870	0.000	1	117.1991	1.405	8	117.1991	1.405	8	116.4754	0.810	235	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:O[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O[6a])	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(O[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O[6a]){1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|O<1>,2|C<3>,2|O<2>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(O[6a]C[6a]){2|Cl<1>,1|O<1>,4|C<3>}	114.4750	0.000	1	117.1991	1.405	8	117.1991	1.405	8	116.4754	0.810	235	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:O[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O[6a])	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(O[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O[6a]){1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(O[6a]C[6a]){1|Br<1>,1|H<1>,1|O<1>,4|C<3>}	116.8580	0.000	1	117.1991	1.405	8	117.1991	1.405	8	116.4754	0.810	235	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:O[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O[6a])	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(O[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O[6a]){1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(O[6a]C[6a]){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	117.0680	0.000	1	117.1991	1.405	8	117.1991	1.405	8	116.4754	0.810	235	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:O[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O[6a])	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(O[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O[6a]){1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(O[6a]C[6a]){1|O<1>,2|H<1>,4|C<3>}	117.6840	0.119	3	117.1991	1.405	8	117.1991	1.405	8	116.4754	0.810	235	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:S-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(SC[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|S<2>,2|H<1>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(SC[6a]){5|C<3>}	117.4210	0.000	1	117.4210	0.000	1	117.3241	0.820	19	116.4754	0.810	235	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:S-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]Br)(SC)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S){1|Br<1>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|S<2>,2|H<1>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]Br)(SC){3|C<3>}	118.4460	0.000	1	118.4460	0.000	1	117.3241	0.820	19	116.4754	0.810	235	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:S-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(SC)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|S<2>,2|C<3>,2|O<2>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(SC){1|O<2>,2|C<3>}	118.5610	0.000	1	118.5610	0.000	1	117.3241	0.820	19	116.4754	0.810	235	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:S-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(SC[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S){1|C<2>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|S<2>,2|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(SC[6a]){1|H<1>,2|C<3>}	118.7510	0.000	1	118.7915	0.003	2	117.3241	0.820	19	116.4754	0.810	235	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:S-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(SC[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|S<2>,2|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(SC[6a]){1|H<1>,2|C<3>}	118.8320	0.000	1	118.7915	0.003	2	117.3241	0.820	19	116.4754	0.810	235	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:S-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(SC[6])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|S<2>,2|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(SC[6]){1|H<1>,2|C<3>}	116.7595	0.035	2	116.7595	0.001	2	117.3241	0.820	19	116.4754	0.810	235	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:S-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(SC)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|S<2>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(SC){2|C<3>}	117.0075	0.771	4	117.0075	0.594	4	117.3241	0.820	19	116.4754	0.810	235	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:S-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(SC[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S){1|N<2>,2|C<3>,2|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|S<2>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(SC[6a]){2|C<3>}	115.9600	0.000	1	115.9600	0.000	1	117.3241	0.820	19	116.4754	0.810	235	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:S-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]S)(SMn)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S){1|H<1>,1|N<2>,1|S<3>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|S<2>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]S)(SMn){2|C<3>}	117.4210	0.000	1	117.4210	0.000	1	117.3241	0.820	19	116.4754	0.810	235	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:S-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]S)(SNi)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|S<2>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]S)(SNi){2|C<3>}	117.0360	0.703	6	117.0360	0.494	6	117.3241	0.820	19	116.4754	0.810	235	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:Se-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Se)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(SeC[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Se){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|Se<2>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(SeC[6a]){1|Se<2>,4|C<3>}	117.1060	0.000	1	117.1060	0.000	1	117.1060	0.000	1	116.4754	0.810	235	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-3:O-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(OC[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(OC[6a]){1|O<1>,4|C<3>}	116.5475	0.695	2	116.5475	0.483	2	116.5475	0.483	2	116.4754	0.810	235	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-3:S-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]S)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(SC)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]S){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|N<3>,1|O<1>,1|S<2>,2|H<1>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(SC){1|O<1>,2|C<3>}	117.3510	0.000	1	117.3510	0.000	1	117.3510	0.000	1	116.4754	0.810	235	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-2:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CN)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C){1|C<2>,1|H<1>,1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a]H)(N[6a]C[6a]){1|C<2>,1|C<3>,1|N<3>,2|O<1>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CN){1|C<3>,1|N<3>}	115.2689	0.328	9	115.2689	0.108	9	115.2689	0.108	9	116.4754	0.810	235	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:O-2:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a]C)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(OH)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O){1|N<2>,2|C<3>,2|C<4>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a]C)(N[6a]C[6a]){1|C<3>,1|N<3>,1|O<2>,2|O<1>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(OH){1|C<3>,1|N<3>}	115.7830	0.000	1	115.7830	0.000	1	115.7830	0.000	1	116.4754	0.810	235	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]2)	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]2){1|H<1>,6|C<3>}	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|O<1>,2|H<1>,5|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,4|C<3>}	118.0370	0.000	1	118.0370	0.000	1	118.0370	0.000	1	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:N[6]-3:	N[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]N[6])	C[6a,6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a]N[6a])(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(N[6]C[6]2)	N[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]N[6]){1|H<1>,1|N<2>,1|O<2>,2|C<3>,2|C<4>}	C[6a,6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a]N[6a])(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(N[6]C[6]2){2|C<3>,2|C<4>,4|H<1>}	116.4585	0.026	2	116.4585	0.001	2	116.4585	0.001	2	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a]-2:N[6a]-3:N-3:	N[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]N[6a]N)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(NCH)	N[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]N[6a]N){5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|C<3>,1|N<2>,1|O<1>,1|S<2>,2|C<4>,2|N<3>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(NCH){1|O<1>,4|C<3>}	118.2180	0.000	1	118.2180	0.000	1	118.2180	0.000	1	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2){1|H<1>,1|N<3>,5|C<3>}	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(N[6a]C[6a]){3|H<1>,5|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,4|C<3>}	117.6216	1.758	8	117.6216	3.091	8	117.6216	3.091	8	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-3:	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(COO)	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]C){1|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a]){1|H<1>,1|N<3>,5|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(COO){2|C<3>}	116.4500	0.000	1	116.4500	0.000	1	116.4500	0.000	1	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-3:	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6,6a]N[6a])(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(COO)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C){1|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6,6a]N[6a])(N[6a]C[6a]){1|H<1>,1|N<2>,5|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(COO){2|C<3>}	116.4040	0.000	1	116.4040	0.000	1	117.4677	0.290	28	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-3:	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHN)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){3|H<1>,5|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHN){1|H<1>,2|C<3>}	118.2433	0.195	3	118.2433	0.038	3	117.4677	0.290	28	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-3:	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHO)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){3|H<1>,5|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHO){1|H<1>,2|C<3>}	117.4610	0.000	1	117.4610	0.000	1	117.4677	0.290	28	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-3:	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CNO)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|H<1>,1|O<2>,5|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CNO){1|O<2>,2|C<3>}	117.1145	0.432	11	117.3644	0.276	17	117.4677	0.290	28	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-3:	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CNO)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){2|H<1>,5|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CNO){1|H<1>,2|C<3>}	117.8225	0.346	6	117.3644	0.276	17	117.4677	0.290	28	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-3:	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CN[5]O)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|Cl<1>,1|H<1>,5|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CN[5]O){1|Cl<1>,2|C<3>}	117.5250	0.153	2	117.5250	0.023	2	117.4677	0.290	28	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-3:	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CN[6]O)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|Cl<1>,1|H<1>,5|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CN[6]O){1|Cl<1>,2|C<3>}	117.4745	0.220	2	117.4745	0.048	2	117.4677	0.290	28	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-3:	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(COO)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|Cl<1>,1|H<1>,5|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(COO){1|Cl<1>,2|C<3>}	117.6535	0.251	2	117.6535	0.063	2	117.4677	0.290	28	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C[5a]-3:	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[5a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]Br)(C[5a]N[5a]2)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[5a]C[6a]){1|Br<1>,1|N<3>,2|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){2|H<1>,5|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>}	118.6390	0.000	1	118.6390	0.000	1	118.6390	0.000	1	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[3x6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)2	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]2){7|C<3>}	C[6a,6a](C[6a,6a]C[3x6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){3|H<1>,5|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)2{3|H<1>,6|C<3>}	120.4640	0.000	1	120.4640	0.000	1	118.7377	0.497	23	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]2){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){2|H<1>,6|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,5|C<3>}	118.9915	0.292	2	118.8203	0.131	3	118.7377	0.497	23	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]2){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){3|H<1>,5|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|Br<1>,2|H<1>,4|C<3>}	118.4780	0.000	1	118.8203	0.131	3	118.7377	0.497	23	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]2){1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){2|H<1>,5|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,2|C<4>,4|C<3>}	118.4170	0.000	1	118.8074	0.151	17	118.7377	0.497	23	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]2){1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){2|H<1>,5|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	119.6650	0.389	2	118.8074	0.151	17	118.7377	0.497	23	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]2){1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){2|H<1>,5|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,4|C<3>}	118.7128	0.199	14	118.8074	0.151	17	118.7377	0.497	23	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(C[6a]N[6a]2)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]2){1|H<1>,3|C<3>,3|N<2>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|C<4>,1|H<1>,5|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(C[6a]N[6a]2){1|C<4>,1|N<2>,3|C<3>}	117.1585	0.443	2	117.1585	0.197	2	118.7377	0.497	23	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:N-3:	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]N)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(NHH)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]N){5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(NHH){1|H<1>,2|C<3>}	118.3880	0.000	1	118.3880	0.000	1	118.5853	0.029	3	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:N-3:	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]N)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NCC)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]N){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NCC){1|H<1>,2|C<3>}	118.6690	0.000	1	118.6690	0.000	1	118.5853	0.029	3	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:N-3:	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]N)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NCH)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]N){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NCH){1|H<1>,2|C<3>}	118.6990	0.000	1	118.6990	0.000	1	118.5853	0.029	3	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:N[5]-3:	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]N[5])	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(N[5]C[5]2)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]N[5]){1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(N[5]C[5]2){1|Pd<4>,1|N<3>,2|H<1>,3|C<3>}	117.7700	0.000	1	117.7700	0.000	1	117.7700	0.000	1	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]N[6a])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]N[6a]){1|C<4>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]C){1|O<1>,2|H<1>,4|C<3>}	118.0365	0.320	2	118.0365	0.103	2	118.0365	0.103	2	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[5a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[5a]N[5a]2)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a]){1|H<1>,1|N<2>,1|N<3>,1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){3|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[5a]N[5a]2)(C[6a]C[6a]H){2|H<1>,4|C<3>}	117.9350	0.000	1	117.9350	0.000	1	117.3590	0.664	2	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[5a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[5a]N[5a]2)(C[6a]N[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a]){1|N<3>,2|C<3>,2|H<1>,2|N<2>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,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>}	116.7830	0.000	1	116.7830	0.000	1	117.3590	0.664	2	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6]C[6]N[6])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6]){1|N<3>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a])(C[6]C[6]N[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	118.0370	0.021	2	118.2678	0.201	4	118.2678	0.201	4	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6]C[6]N[6])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6]){1|N<3>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6]C[6]N[6])(C[6a]C[6a]H){3|H<1>,4|C<3>}	118.4985	0.624	2	118.2678	0.201	4	118.2678	0.201	4	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(COO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(COO){2|C<3>}	117.7760	0.000	1	117.7760	0.000	1	117.6361	0.860	243	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6,6a]Cl)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(COO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|Cl<1>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6,6a]Cl)(N[6a]C[6a]){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(COO){1|O<2>,2|C<3>}	116.3800	0.000	1	116.3800	0.000	1	117.6361	0.860	243	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]C)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CNO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]C)(N[6a]C[6a]){1|H<1>,1|N<2>,1|O<2>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CNO){1|O<2>,2|C<3>}	116.9320	0.242	2	116.9320	0.058	2	117.6361	0.860	243	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]C)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(COO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]C)(N[6a]C[6a]){1|H<1>,1|N<2>,1|O<2>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(COO){1|O<2>,2|C<3>}	116.6994	0.193	10	116.6994	0.037	10	117.6361	0.860	243	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]F)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CNO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|F<1>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]F)(N[6a]C[6a]){1|H<1>,1|N<2>,1|O<2>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CNO){1|O<2>,2|C<3>}	116.1208	0.955	9	116.1208	0.913	9	117.6361	0.860	243	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(COO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H)(N[6a]C[6a]){1|H<1>,1|N<2>,1|O<2>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(COO){1|O<2>,2|C<3>}	116.1885	0.111	2	116.1885	0.012	2	117.6361	0.860	243	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]S)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(COO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|S<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]S)(N[6a]C[6a]){1|H<1>,1|N<2>,1|O<2>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(COO){1|O<2>,2|C<3>}	117.7272	0.737	4	117.7272	0.544	4	117.6361	0.860	243	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHN)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){3|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHN){1|H<1>,2|C<3>}	118.6995	0.452	2	118.6995	0.204	2	117.6361	0.860	243	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CNO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<2>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){1|O<2>,2|H<1>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CNO){1|O<2>,2|C<3>}	115.7040	0.000	1	117.3902	1.237	5	117.6361	0.860	243	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CNO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){1|O<2>,2|H<1>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CNO){1|O<2>,2|C<3>}	117.8117	0.681	4	117.3902	1.237	5	117.6361	0.860	243	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(COO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(COO){3|C<3>}	117.6040	0.000	1	117.6040	0.000	1	117.6361	0.860	243	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(CCH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<2>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(CCH){1|H<1>,2|C<3>}	118.3787	2.227	3	118.5190	3.386	4	117.6361	0.860	243	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(CCH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(CCH){3|C<3>}	118.9400	0.000	1	118.5190	3.386	4	117.6361	0.860	243	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(CC[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(CC[6a]C){1|H<1>,2|C<3>}	118.4630	0.291	2	118.4630	0.085	2	117.6361	0.860	243	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(CC[6a]O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(CC[6a]O){1|H<1>,2|C<3>}	118.1010	0.000	1	118.1010	0.000	1	117.6361	0.860	243	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(COO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(COO){1|N<3>,2|C<3>}	116.8410	0.000	1	116.8410	0.000	1	117.6361	0.860	243	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCC)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|Cl<1>,1|H<1>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCC){1|Cl<1>,2|C<3>}	117.9760	0.000	1	117.9245	0.005	2	117.6361	0.860	243	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCC)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCC){1|H<1>,2|C<3>}	117.8730	0.000	1	117.9245	0.005	2	117.6361	0.860	243	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,2|H<1>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCH){1|H<1>,2|C<3>}	118.9510	0.436	2	118.1498	0.707	12	117.6361	0.860	243	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCH){1|H<1>,2|C<3>}	117.9896	0.820	10	118.1498	0.707	12	117.6361	0.860	243	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCO){1|H<1>,2|C<3>}	118.0940	0.000	1	118.0940	0.000	1	117.6361	0.860	243	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CC[5]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CC[5]C){1|H<1>,2|C<3>}	118.8200	0.000	1	118.8200	0.000	1	117.6361	0.860	243	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CC[5]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CC[5]H){1|H<1>,2|C<3>}	118.2030	0.160	2	118.2030	0.026	2	117.6361	0.860	243	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CC[5a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CC[5a]2){1|H<1>,2|C<3>}	118.5070	0.672	2	118.5070	0.451	2	117.6361	0.860	243	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CC[6a]O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CC[6a]O){1|C<4>,2|C<3>}	116.7290	0.025	2	117.2383	0.163	6	117.6361	0.860	243	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CC[6a]O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CC[6a]O){3|C<3>}	117.5840	0.000	1	117.2383	0.163	6	117.6361	0.860	243	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CC[6a]O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CC[6a]O){1|H<1>,2|C<3>}	117.4627	0.110	3	117.2383	0.163	6	117.6361	0.860	243	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHN)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHN){1|C<4>,2|C<3>}	117.5955	0.558	2	117.6502	0.184	31	117.6361	0.860	243	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHN)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,2|C<4>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHN){1|C<4>,2|C<3>}	117.4100	0.000	1	117.6502	0.184	31	117.6361	0.860	243	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHN)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHN){1|H<1>,2|C<3>}	117.6627	0.436	28	117.6502	0.184	31	117.6361	0.860	243	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHO){1|H<1>,2|C<3>}	117.2035	0.158	2	117.2035	0.025	2	117.6361	0.860	243	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CNN)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CNN){1|H<1>,2|C<3>}	118.1260	0.000	1	118.1260	0.000	1	117.6361	0.860	243	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CNO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CNO){1|H<1>,2|C<3>}	117.6244	0.348	29	117.6244	0.121	29	117.6361	0.860	243	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CN[5]O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CN[5]O){1|H<1>,2|C<3>}	118.4305	0.545	2	118.4305	0.297	2	117.6361	0.860	243	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CN[6]O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CN[6]O){1|H<1>,2|C<3>}	117.7320	0.000	1	117.7320	0.000	1	117.6361	0.860	243	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(COO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<2>,2|H<1>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(COO){1|C<2>,2|C<3>}	117.2190	0.000	1	117.4501	0.214	18	117.6361	0.860	243	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(COO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|H<1>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(COO){1|O<2>,2|C<3>}	117.4230	0.000	1	117.4501	0.214	18	117.6361	0.860	243	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(COO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|Se<2>,2|H<1>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(COO){1|Se<2>,2|C<3>}	116.3810	0.000	1	117.4501	0.214	18	117.6361	0.860	243	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(COO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(COO){3|C<3>}	117.0355	0.636	2	117.4501	0.214	18	117.6361	0.860	243	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(COO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(COO){1|H<1>,2|C<3>}	117.6159	0.333	13	117.4501	0.214	18	117.6361	0.860	243	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){3|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCH){1|H<1>,2|C<3>}	117.6290	0.000	1	117.6290	0.000	1	117.6361	0.860	243	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CClC)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){3|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CClC){1|H<1>,2|C<3>}	117.4490	0.000	1	117.4490	0.000	1	117.6361	0.860	243	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CNO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){1|O<2>,2|H<1>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CNO){1|O<2>,2|C<3>}	117.2830	0.000	1	117.5025	1.463	10	117.6361	0.860	243	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CNO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CNO){1|H<1>,2|C<3>}	118.8100	0.392	3	117.5025	1.463	10	117.6361	0.860	243	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CNO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CNO){1|N<3>,2|C<3>}	116.3850	0.000	1	117.5025	1.463	10	117.6361	0.860	243	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CNO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){1|O<2>,2|H<1>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CNO){1|O<2>,2|C<3>}	116.8268	1.237	4	117.5025	1.463	10	117.6361	0.860	243	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CNO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){2|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CNO){3|C<3>}	117.6200	0.000	1	117.5025	1.463	10	117.6361	0.860	243	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(COO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){1|O<2>,2|H<1>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(COO){1|O<2>,2|C<3>}	115.9760	0.000	1	116.9156	0.306	7	117.6361	0.860	243	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(COO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){1|Br<1>,1|H<1>,1|O<2>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(COO){1|O<2>,2|C<3>}	117.2880	0.257	2	116.9156	0.306	7	117.6361	0.860	243	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(COO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(COO){1|H<1>,2|C<3>}	117.5380	0.000	1	116.9156	0.306	7	117.6361	0.860	243	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(COO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){1|O<2>,2|H<1>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(COO){1|O<2>,2|C<3>}	116.7730	0.282	3	116.9156	0.306	7	117.6361	0.860	243	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){2|Cl<1>,1|H<1>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCH){1|H<1>,2|C<3>}	117.8190	0.000	1	118.2806	0.428	21	117.6361	0.860	243	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){3|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCH){1|H<1>,2|C<3>}	118.3036	0.663	20	118.2806	0.428	21	117.6361	0.860	243	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHN)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){3|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHN){1|H<1>,2|C<3>}	117.6145	0.346	6	117.6145	0.120	6	117.6361	0.860	243	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){3|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHO){1|H<1>,2|C<3>}	116.8640	0.000	1	116.8640	0.000	1	117.6361	0.860	243	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]Cl)(CCO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|Cl<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|H<1>,6|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]Cl)(CCO){2|C<3>}	119.1790	0.000	1	119.1790	0.000	1	117.6361	0.860	243	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(COO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(N[6a]C[6a]){1|C<4>,1|H<1>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(COO){2|C<3>}	117.5240	0.081	2	117.5240	0.006	2	117.6361	0.860	243	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CCH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CCH){2|C<3>}	118.1900	0.143	2	118.1900	0.020	2	117.6361	0.860	243	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(COO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|Br<1>,1|H<1>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(COO){2|C<3>}	116.9220	0.000	1	116.9220	0.000	1	117.6361	0.860	243	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]Cl)(CClC)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]Cl)(CClC){2|C<3>}	117.8270	0.242	2	117.8270	0.058	2	117.6361	0.860	243	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(CCN)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|N<2>,2|C<3>,2|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(CCN){2|C<3>}	116.7640	0.081	2	116.7640	0.006	2	117.6361	0.860	243	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(CCO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|N<2>,2|C<3>,2|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(CCO){2|C<3>}	116.8090	0.000	1	116.8090	0.000	1	117.6361	0.860	243	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(CC[6a]O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|N<2>,2|C<3>,2|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(CC[6a]O){2|C<3>}	116.2060	0.000	1	116.2060	0.000	1	117.6361	0.860	243	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(CHN)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|N<2>,2|C<3>,2|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(CHN){2|C<3>}	116.7062	0.528	6	116.7062	0.279	6	117.6361	0.860	243	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(CNO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|N<2>,2|C<3>,2|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(CNO){2|C<3>}	115.7260	0.000	1	115.7260	0.000	1	117.6361	0.860	243	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(CCH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(CCH){2|C<3>}	118.0260	0.000	1	118.0260	0.000	1	117.6361	0.860	243	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(CCO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(CCO){1|C<4>,2|C<3>}	118.4943	0.815	3	118.4943	0.665	3	117.6361	0.860	243	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(CC[6a]O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(CC[6a]O){1|H<1>,2|C<3>}	117.7830	0.000	1	117.7830	0.000	1	117.6361	0.860	243	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(COO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(COO){1|H<1>,2|C<3>}	119.0597	0.431	4	119.0597	0.185	4	117.6361	0.860	243	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N[6a])(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(COO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,2|C<3>,2|N<2>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N[6a])(N[6a]C[6a]){1|N<3>,5|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(COO){1|N<3>,2|C<3>}	116.9630	0.000	1	116.9630	0.000	1	117.6361	0.860	243	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[6a]N)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(COO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<3>,1|H<1>,1|N<3>,2|N<2>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[6a]N)(N[6a]C[6a]){1|Cl<1>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(COO){1|Cl<1>,2|C<3>}	118.4840	0.000	1	118.4840	0.000	1	117.6361	0.860	243	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]O[6a]O)(CCH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|F<1>,1|H<1>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]O[6a]O)(CCH){2|C<3>}	117.3840	0.000	1	118.3410	0.344	5	117.6361	0.860	243	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]O[6a]O)(CCH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]O[6a]O)(CCH){2|C<3>}	118.5803	0.278	4	118.3410	0.344	5	117.6361	0.860	243	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]O[6a]O)(CC[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]O[6a]O)(CC[6a]C){2|C<3>}	123.1120	0.000	1	123.1120	0.000	1	117.6361	0.860	243	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]N[6a]O)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CCN)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|N<2>,1|O<1>,2|N<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]N[6a]O)(N[6a]C[6a]){2|C<4>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CCN){2|C<3>}	118.4780	0.215	2	118.4780	0.046	2	117.6361	0.860	243	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]N[6a]O)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CCO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|N<2>,1|O<1>,2|N<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]N[6a]O)(N[6a]C[6a]){2|C<4>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CCO){2|C<3>}	117.7000	0.000	1	117.7000	0.000	1	117.6361	0.860	243	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]N[6a]O)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(COO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|N<2>,1|O<1>,2|N<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]N[6a]O)(N[6a]C[6a]){2|C<4>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(COO){2|C<3>}	118.0780	0.000	1	118.0780	0.000	1	117.6361	0.860	243	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]N[6a]O)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(CHO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<3>,1|O<1>,2|N<2>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]N[6a]O)(N[6a]C[6a]){1|C<4>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(CHO){2|C<3>}	116.2020	0.000	1	116.2020	0.000	1	117.6361	0.860	243	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C[6]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(C[6]C[6]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6]){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(C[6]C[6]2){2|H<1>,5|C<3>}	118.0910	0.098	2	118.0910	0.010	2	118.0910	0.010	2	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|C<4>,1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]C){3|H<1>,4|C<3>}	119.1840	0.000	1	119.1840	0.000	1	118.5984	0.621	144	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,5|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,5|C<3>}	118.5965	0.214	2	118.5965	0.046	2	118.5984	0.621	144	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)2{3|H<1>,6|C<3>}	119.0970	0.000	1	119.0970	0.000	1	118.5984	0.621	144	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|C<4>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){1|O<2>,2|H<1>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]C){1|O<2>,2|H<1>,4|C<3>}	118.5950	0.000	1	118.5950	0.000	1	118.5984	0.621	144	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|C<2>,1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){1|N<2>,2|N<3>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,5|C<3>}	118.6603	0.170	6	118.7180	0.178	13	118.5984	0.621	144	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|C<4>,1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,5|C<3>}	119.4220	0.000	1	118.7180	0.178	13	118.5984	0.621	144	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|C<4>,1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){2|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,5|C<3>}	118.5203	0.671	3	118.7180	0.178	13	118.5984	0.621	144	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|C<4>,1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){3|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,4|C<3>}	119.3320	0.000	1	118.7180	0.178	13	118.5984	0.621	144	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){3|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,4|C<3>}	118.5285	0.093	2	118.7180	0.178	13	118.5984	0.621	144	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|C<4>,1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]C){2|H<1>,5|C<3>}	118.0105	0.176	2	118.6536	0.282	14	118.5984	0.621	144	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|C<4>,1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]C){3|H<1>,4|C<3>}	118.8085	0.053	2	118.6536	0.282	14	118.5984	0.621	144	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|H<1>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]C){3|H<1>,4|C<3>}	118.7285	0.390	2	118.6536	0.282	14	118.5984	0.621	144	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]C){2|H<1>,5|C<3>}	118.6154	0.712	5	118.6536	0.282	14	118.5984	0.621	144	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]C){3|H<1>,4|C<3>}	118.9930	0.327	3	118.6536	0.282	14	118.5984	0.621	144	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]F)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|F<1>,1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]F){1|C<4>,2|H<1>,4|C<3>}	119.6620	0.000	1	119.6620	0.000	1	118.5984	0.621	144	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	118.1010	0.000	1	118.3262	0.252	42	118.5984	0.621	144	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	118.1460	0.547	10	118.3262	0.252	42	118.5984	0.621	144	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,2|C<4>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	118.3150	0.000	1	118.3262	0.252	42	118.5984	0.621	144	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|H<1>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	117.6490	0.000	1	118.3262	0.252	42	118.5984	0.621	144	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,5|C<3>}	118.4567	0.504	25	118.3262	0.252	42	118.5984	0.621	144	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,6|C<3>}	118.2400	0.000	1	118.3262	0.252	42	118.5984	0.621	144	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,4|C<3>}	118.1730	0.325	3	118.3262	0.252	42	118.5984	0.621	144	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]I)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|I<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]I){2|H<1>,5|C<3>}	118.3190	0.000	1	118.3190	0.000	1	118.5984	0.621	144	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|O<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]O){2|H<1>,5|C<3>}	119.2010	0.550	2	119.2010	0.303	2	118.5984	0.621	144	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]S)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|S<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]S){2|H<1>,5|C<3>}	118.6612	0.214	4	119.1941	0.151	14	118.5984	0.621	144	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]S)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|S<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]S){3|H<1>,4|C<3>}	119.4405	0.036	2	119.1941	0.151	14	118.5984	0.621	144	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]S)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|S<4>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]S){2|H<1>,5|C<3>}	119.3871	0.193	7	119.1941	0.151	14	118.5984	0.621	144	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]S)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|S<4>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]S){3|H<1>,4|C<3>}	119.4810	0.000	1	119.1941	0.151	14	118.5984	0.621	144	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)2{1|C<4>,2|H<1>,6|C<3>}	117.9245	0.158	2	118.5804	0.405	5	118.5984	0.621	144	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)2{3|H<1>,6|C<3>}	119.0177	0.284	3	118.5804	0.405	5	118.5984	0.621	144	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]I)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|I<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]I)(N[6a]C[6a]){3|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,4|C<3>}	118.4270	0.000	1	118.4270	0.000	1	118.5984	0.621	144	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|O<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){2|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,5|C<3>}	118.4797	0.389	3	118.4797	0.152	3	118.5984	0.621	144	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Br)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]N[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|Br<1>,1|H<1>,1|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Br)(N[6a]C[6a]){2|H<1>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]N[6a]H){2|H<1>,4|C<3>}	117.2780	0.000	1	117.2780	0.000	1	118.5984	0.621	144	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]N[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(N[6a]C[6a]){2|H<1>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]N[6a]H){2|H<1>,4|C<3>}	117.6860	0.000	1	117.6860	0.000	1	118.5984	0.621	144	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,5|C<3>}	117.8250	0.000	1	117.8250	0.000	1	118.5984	0.621	144	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]N[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|C<2>,1|H<1>,1|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]N[6a]C){2|H<1>,4|C<3>}	118.0930	0.000	1	117.9087	0.400	7	118.5984	0.621	144	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]N[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]N[6a]C){2|H<1>,4|C<3>}	117.3400	0.000	1	117.9087	0.400	7	118.5984	0.621	144	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]N[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]N[6a]C){2|H<1>,4|C<3>}	117.9765	0.819	4	117.9087	0.400	7	118.5984	0.621	144	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]N[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]N[6a]C){2|H<1>,4|C<3>}	118.0220	0.000	1	117.9087	0.400	7	118.5984	0.621	144	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]N[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|Br<1>,1|C<4>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]N[6a]H){2|H<1>,4|C<3>}	117.8380	0.000	1	117.2557	0.209	10	118.5984	0.621	144	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]N[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]N[6a]H){1|H<1>,1|N<3>,4|C<3>}	116.7390	0.000	1	117.2557	0.209	10	118.5984	0.621	144	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]N[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]N[6a]H){2|H<1>,4|C<3>}	117.2475	0.427	8	117.2557	0.209	10	118.5984	0.621	144	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]N[6a]O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|N<2>,1|O<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]N[6a]O){2|H<1>,4|C<3>}	117.9390	0.687	2	119.4876	0.612	20	118.5984	0.621	144	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]N[6a]O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]N[6a]O){2|H<1>,5|C<3>}	119.0510	0.000	1	119.4876	0.612	20	118.5984	0.621	144	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]N[6a]O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]N[6a]O){1|C<4>,1|O<1>,2|O<2>,3|C<3>}	120.7980	0.000	1	119.4876	0.612	20	118.5984	0.621	144	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]N[6a]O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]N[6a]O){1|C<4>,2|H<1>,4|C<3>}	119.6266	0.526	16	119.4876	0.612	20	118.5984	0.621	144	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]O[6a]O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]O[6a]O){2|H<1>,4|C<3>}	119.4210	0.000	1	119.1940	0.085	3	118.5984	0.621	144	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]O[6a]O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]O[6a]O){2|H<1>,4|C<3>}	119.0805	0.303	2	119.1940	0.085	3	118.5984	0.621	144	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:N-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]C)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NCH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]C)(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,1|O<2>,2|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NCH){1|O<2>,2|C<3>}	117.4385	0.609	2	117.4385	0.371	2	117.4784	2.054	52	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:N-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(NHH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N){1|C<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){1|N<3>,2|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(NHH){1|H<1>,2|C<3>}	118.3220	0.000	1	118.3220	0.000	1	117.4784	2.054	52	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:N-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NCC)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){1|H<1>,1|N<4>,2|C<3>,2|N<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NCC){1|N<3>,2|C<3>}	118.5570	0.735	2	118.5570	0.541	2	117.4784	2.054	52	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:N-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(NCH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(NCH){1|Cl<1>,4|C<3>}	117.9410	0.000	1	117.9410	0.000	1	117.4784	2.054	52	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:N-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(NHH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(NHH){1|C<4>,4|C<3>}	117.6540	0.000	1	117.6540	0.000	1	117.4784	2.054	52	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:N-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(NC[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N){1|C<2>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(NC[6a]H){3|C<3>}	118.8520	0.000	1	118.8520	0.000	1	117.4784	2.054	52	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:N-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(NHH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N){1|C<2>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(NHH){1|H<1>,2|C<3>}	119.4130	0.000	1	119.4130	0.000	1	117.4784	2.054	52	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:N-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NCH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NCH){1|H<1>,2|C<3>}	117.8010	0.387	6	117.8010	0.150	6	117.4784	2.054	52	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:N-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NC[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NC[6a]H){1|Cl<1>,2|C<3>}	117.1550	0.000	1	117.2230	0.118	4	117.4784	2.054	52	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:N-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NC[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NC[6a]H){1|H<1>,2|C<3>}	117.4005	0.452	2	117.2230	0.118	4	117.4784	2.054	52	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:N-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NC[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NC[6a]H){3|C<3>}	116.9360	0.000	1	117.2230	0.118	4	117.4784	2.054	52	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:N-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NClH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NClH){1|H<1>,2|C<3>}	123.9150	0.000	1	123.9150	0.000	1	117.4784	2.054	52	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:N-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NHH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<3>,2|C<3>,2|F<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NHH){1|H<1>,2|C<3>}	118.1880	0.000	1	118.1880	0.000	1	117.4784	2.054	52	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:N-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NHN)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NHN){1|H<1>,2|C<3>}	116.8930	0.000	1	116.8930	0.000	1	117.4784	2.054	52	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:N-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NCH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){1|N<3>,2|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NCH){1|H<1>,2|C<3>}	117.3435	0.381	2	117.3435	0.145	2	117.4784	2.054	52	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:N-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NCH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N){1|H<1>,1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){1|N<3>,2|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NCH){1|H<1>,2|C<3>}	117.0865	0.336	2	117.0865	0.113	2	117.4784	2.054	52	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:N-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NHH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N){1|H<1>,1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){1|N<3>,2|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NHH){1|H<1>,2|C<3>}	117.5399	0.348	8	117.5399	0.121	8	117.4784	2.054	52	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:N-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(NC[6a]N)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(NC[6a]N){2|C<3>}	117.0750	0.000	1	117.0750	0.000	1	117.4784	2.054	52	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:N-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(NC[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N){1|N<2>,2|C<3>,2|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(NC[6a]H){2|C<3>}	116.0622	0.328	5	116.0622	0.108	5	117.4784	2.054	52	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:N-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(NHN)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N){1|N<2>,2|C<3>,2|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(NHN){2|C<3>}	115.9886	1.276	7	115.9886	1.629	7	117.4784	2.054	52	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:N-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(NHS)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N){1|N<2>,2|C<3>,2|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(NHS){2|C<3>}	117.0310	0.000	1	117.0310	0.000	1	117.4784	2.054	52	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:N-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]N)(NC[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]N)(NC[6a]H){2|C<3>}	118.4310	0.195	2	118.4310	0.038	2	117.4784	2.054	52	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:N-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]N)(NHN)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]N)(NHN){2|C<3>}	118.8165	2.760	2	118.8165	7.617	2	117.4784	2.054	52	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:N[5]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[5])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]Cl)(N[5]C[5]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[5]){1|Cl<1>,1|H<1>,1|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]Cl)(N[5]C[5]2){1|N<3>,2|H<1>,3|C<3>}	117.0940	0.000	1	117.0940	0.000	1	115.9950	1.239	5	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:N[5]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[5])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]Pd)(N[5]C[5]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[5]){1|Pd<4>,1|H<1>,1|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]Pd)(N[5]C[5]2){1|H<1>,1|N<3>,3|C<3>}	114.2070	0.000	1	115.7202	1.148	4	115.9950	1.239	5	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:N[5]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[5])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]Pd)(N[5]C[5]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[5]){1|Pd<4>,1|H<1>,1|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]Pd)(N[5]C[5]2){1|N<3>,2|H<1>,3|C<3>}	116.2247	0.443	3	115.7202	1.148	4	115.9950	1.239	5	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:N[6]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6])	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(N[6]C[6]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6]){2|C<4>,2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(N[6]C[6]2){1|Cl<1>,2|C<3>,2|C<4>,4|H<1>}	118.3290	0.000	1	118.2550	0.011	2	118.0950	0.082	3	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:N[6]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6])	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(N[6]C[6]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6]){2|C<4>,2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(N[6]C[6]2){2|C<3>,2|C<4>,5|H<1>}	118.1810	0.000	1	118.2550	0.011	2	118.0950	0.082	3	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:N[6]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]Cl)(N[6]C[6]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6]){1|Cl<1>,1|H<1>,1|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]Cl)(N[6]C[6]2){2|H<1>,4|C<3>}	117.7750	0.000	1	117.7750	0.000	1	118.0950	0.082	3	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a]){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]2){1|H<1>,1|O<1>,1|O<2>,6|C<3>}	117.9450	0.000	1	118.2085	0.139	2	118.0384	0.399	14	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a]){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]2){1|O<1>,2|H<1>,6|C<3>}	118.4720	0.000	1	118.2085	0.139	2	118.0384	0.399	14	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a]){1|C<4>,1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|N<2>,1|N<3>,1|O<1>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]C){1|O<1>,2|H<1>,4|C<3>}	117.0660	0.000	1	117.9577	0.244	7	118.0384	0.399	14	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a]){1|C<4>,1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]C){1|O<1>,2|H<1>,4|C<3>}	118.4020	0.000	1	117.9577	0.244	7	118.0384	0.399	14	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a]){1|C<4>,1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]C){1|O<1>,2|H<1>,4|C<3>}	118.0472	0.328	5	117.9577	0.244	7	118.0384	0.399	14	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a]){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]H){1|Br<1>,1|H<1>,1|O<1>,4|C<3>}	118.1970	0.000	1	118.0017	0.554	3	118.0384	0.399	14	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a]){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	117.1790	0.000	1	118.0017	0.554	3	118.0384	0.399	14	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a]){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]H){1|H<1>,1|O<1>,5|C<3>}	118.6290	0.000	1	118.0017	0.554	3	118.0384	0.399	14	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]N)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a]){1|H<1>,1|N<3>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]N){1|O<1>,2|H<1>,4|C<3>}	119.2820	0.000	1	119.2820	0.000	1	118.0384	0.399	14	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]N[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a]){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]N[6a]H)(N[6a]C[6a]){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]C){1|O<1>,2|H<1>,4|C<3>}	117.1290	0.000	1	117.1290	0.000	1	118.0384	0.399	14	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:P-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]P)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(PCl2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]P){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|P<3>,2|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(PCl2){1|H<1>,2|C<3>}	117.8030	0.000	1	117.8030	0.000	1	117.8030	0.000	1	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:S-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(SOs2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|S<3>,2|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(SOs2){1|H<1>,2|C<3>}	117.5900	0.000	1	117.5900	0.000	1	117.1755	0.344	2	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:S-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]S)(SMn2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|S<3>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]S)(SMn2){2|C<3>}	116.7610	0.000	1	116.7610	0.000	1	117.1755	0.344	2	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-3:C-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(CC[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(CC[6a]C){1|O<1>,2|C<3>}	117.6080	0.000	1	117.6080	0.000	1	117.5443	0.443	4	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-3:C-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(COO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(COO){1|O<1>,2|C<3>}	117.7940	0.000	1	117.7940	0.000	1	117.5443	0.443	4	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-3:C-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]H)(CC[5]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]H)(CC[5]C){1|O<1>,2|C<3>}	118.1660	0.000	1	118.1660	0.000	1	117.5443	0.443	4	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-3:C-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]H)(CC[6a]O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]H)(CC[6a]O){1|O<1>,2|C<3>}	116.6090	0.000	1	116.6090	0.000	1	117.5443	0.443	4	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-3:N-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]N)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(NCC)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]N){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|O<1>,2|H<1>,2|N<3>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(NCC){1|O<1>,4|C<3>}	118.8540	0.000	1	118.8540	0.000	1	117.6641	0.464	13	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-3:N-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]N)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(NC[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]N){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|O<1>,2|H<1>,2|N<3>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(NC[6a]H){1|O<1>,4|C<3>}	117.5625	0.115	2	117.5625	0.013	2	117.6641	0.464	13	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-3:N-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]N)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(NHH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]N){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|O<1>,2|H<1>,2|N<3>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(NHH){1|O<1>,4|C<3>}	117.7960	0.000	1	117.7960	0.000	1	117.6641	0.464	13	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-3:N-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]N)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(NCH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]N){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|O<1>,2|H<1>,2|N<3>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(NCH){1|O<1>,2|C<3>}	117.7400	0.403	3	117.7400	0.163	3	117.6641	0.464	13	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-3:N-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]N)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(NC[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]N){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|O<1>,2|H<1>,2|N<3>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(NC[6a]H){1|O<1>,2|C<3>}	117.7642	0.271	5	117.7642	0.073	5	117.6641	0.464	13	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-3:N-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]N)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]H)(NC[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]N){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|O<1>,2|H<1>,2|N<3>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]H)(NC[6a]H){1|O<1>,2|C<3>}	115.8170	0.000	1	115.8170	0.000	1	117.6641	0.464	13	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-3:N[6]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]N[6])	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(N[6]C[6]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]N[6]){1|H<1>,2|C<4>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|O<1>,2|H<1>,2|N<3>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(N[6]C[6]2){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	117.7910	0.000	1	117.7910	0.000	1	117.7910	0.000	1	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-3:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCH)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCH){1|C<3>,1|C<4>,1|N<3>}	116.1070	0.000	1	116.1070	0.000	1	116.1070	0.000	1	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2){1|C<4>,1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C)(N[6a]C[6a]){1|C<4>,1|N<3>,2|C<3>,2|O<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	118.3040	0.000	1	118.2220	0.013	2	117.7297	0.275	6	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2){1|C<4>,1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C)(N[6a]C[6a]){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	118.1400	0.000	1	118.2220	0.013	2	117.7297	0.275	6	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	117.1430	0.030	2	117.2730	0.051	3	117.7297	0.275	6	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|O<1>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	117.5330	0.000	1	117.2730	0.051	3	117.7297	0.275	6	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]Cl)(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2){1|Cl<1>,1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]Cl)(C[6a]C[6a]2){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	118.1150	0.000	1	118.1150	0.000	1	117.7297	0.275	6	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:N-3:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(NHH)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N){1|C<2>,1|C<4>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C)(N[6a]C[6a]){2|C<3>,2|N<3>,2|O<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(NHH){1|N<3>,2|C<3>}	118.1140	0.000	1	118.1140	0.000	1	117.4610	0.853	2	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:N-3:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NHH)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NHH){1|C<3>,1|H<1>,1|N<3>}	116.8080	0.000	1	116.8080	0.000	1	117.4610	0.853	2	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:N[6]-3:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[6])	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]F)(N[6]C[6]2)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[6]){1|F<1>,3|C<3>,3|C<4>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C)(N[6a]C[6a]){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]F)(N[6]C[6]2){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	119.6305	0.251	2	119.6305	0.063	2	119.6305	0.063	2	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a]C[6a,6a]Br)(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(COO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|Br<1>,1|H<1>,3|C<3>}	C[6a,6a](C[6a]C[6a,6a]Br)(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|H<1>,1|N<2>,1|O<2>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(COO){1|O<2>,2|C<3>}	116.6260	0.491	2	116.6260	0.241	2	116.5315	0.121	4	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a]C[6a,6a]Cl)(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(COO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|Cl<1>,1|H<1>,3|C<3>}	C[6a,6a](C[6a]C[6a,6a]Cl)(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|H<1>,1|N<2>,1|O<2>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(COO){1|O<2>,2|C<3>}	116.4370	0.293	2	116.4370	0.086	2	116.5315	0.121	4	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a]C[6a]N[5a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|N<3>,5|C<3>}	C[6a,6a](C[6a]C[6a]N[5a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){2|H<1>,6|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,5|C<3>}	118.4870	0.000	1	118.4870	0.000	1	118.4870	0.000	1	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-3:	N[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]C)	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCH)	N[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]C){1|H<1>,4|C<3>}	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){3|H<1>,5|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCH){1|C<3>,1|H<1>,1|N<3>}	117.3720	0.000	1	117.3720	0.000	1	117.3720	0.000	1	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]2)	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]2){1|H<1>,6|C<3>}	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	116.9440	0.000	1	116.9440	0.000	1	116.9440	0.000	1	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-3:	N[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(CC[6a]O)	N[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,4|C<3>}	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|O<1>,2|H<1>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(CC[6a]O){1|C<3>,1|N<3>,1|O<1>}	116.6520	0.000	2	116.6520	0.000	2	116.6520	0.000	2	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:N-3:	N[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]N)	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NC[6a]H)	N[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]N){2|H<1>,3|C<3>}	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NC[6a]H){1|C<3>,1|N<3>,1|O<1>}	117.7150	0.000	1	117.7150	0.000	1	117.7150	0.000	1	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	N[6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)	C[6a,6a](N[6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2){1|H<1>,6|C<3>}	C[6a,6a](N[6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|O<1>,7|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	117.6670	0.000	1	117.6670	0.000	1	117.6670	0.000	1	117.8942	1.090	583	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:4:	C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-4:	N[6a](C[6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]C)	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|C<3>,1|N<2>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3){1|H<1>,2|C<3>}	117.6970	0.000	1	117.7710	0.011	2	117.7710	0.011	2	117.8431	0.940	477	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:4:	C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-4:	N[6a](C[6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]C)	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|C<3>,1|N<2>,1|N<3>,1|S<2>,2|C<4>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3){1|H<1>,2|C<3>}	117.8450	0.000	1	117.7710	0.011	2	117.7710	0.011	2	117.8431	0.940	477	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:4:	C[6a,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-4:	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]C)	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCHH)	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]C){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|C<4>,3|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCHH){1|H<1>,2|C<3>}	116.7360	0.000	1	116.7360	0.000	1	117.8589	0.483	15	117.8431	0.940	477	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:4:	C[6a,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-4:	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]C)	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]C){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3){1|H<1>,2|C<3>}	119.1160	0.180	2	117.8882	0.411	13	117.8589	0.483	15	117.8431	0.940	477	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:4:	C[6a,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-4:	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]C)	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]C){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|C<4>,3|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3){1|H<1>,2|C<3>}	117.6649	0.366	11	117.8882	0.411	13	117.8589	0.483	15	117.8431	0.940	477	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:4:	C[6a,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-4:	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]C)	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHOO)	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]C){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|Cu<5>,1|C<4>,2|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHOO){1|H<1>,2|C<3>}	118.6020	0.000	1	118.6020	0.000	1	117.8589	0.483	15	117.8431	0.940	477	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-4:	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3){1|H<1>,2|C<3>}	118.4505	0.366	2	118.7715	0.186	4	118.6902	0.605	50	117.8431	0.940	477	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-4:	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3){1|H<1>,2|C<3>}	119.0925	0.111	2	118.7715	0.186	4	118.6902	0.605	50	117.8431	0.940	477	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-4:	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|C<4>,1|H<1>,1|O<1>,2|O<2>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3){1|O<2>,2|C<3>}	116.6730	0.000	1	117.7092	0.723	4	118.6902	0.605	50	117.8431	0.940	477	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-4:	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|C<4>,2|H<1>,5|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3){1|H<1>,2|C<3>}	118.6660	0.000	1	117.7092	0.723	4	118.6902	0.605	50	117.8431	0.940	477	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-4:	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|N<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3){1|C<4>,2|C<3>}	117.7490	0.419	2	117.7092	0.723	4	118.6902	0.605	50	117.8431	0.940	477	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-4:	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CH3)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C){1|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(N[6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CH3){2|C<3>}	118.1750	0.000	1	118.1750	0.000	1	118.6902	0.605	50	117.8431	0.940	477	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-4:	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCHH)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCHH){1|H<1>,2|C<3>}	118.6115	0.091	2	118.6115	0.008	2	118.6902	0.605	50	117.8431	0.940	477	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-4:	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CC[6a]2O)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CC[6a]2O){1|H<1>,2|C<3>}	119.4860	0.000	1	119.4860	0.000	1	118.6902	0.605	50	117.8431	0.940	477	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-4:	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CC[6a]CH)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CC[6a]CH){1|H<1>,2|C<3>}	117.7630	0.000	1	117.7630	0.000	1	118.6902	0.605	50	117.8431	0.940	477	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-4:	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCl3)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCl3){1|H<1>,2|C<3>}	117.6310	0.208	3	117.6310	0.043	3	118.6902	0.605	50	117.8431	0.940	477	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-4:	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|C<4>,1|H<1>,5|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3){3|C<3>}	119.0535	1.928	2	118.8992	0.489	32	118.6902	0.605	50	117.8431	0.940	477	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-4:	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3){1|H<1>,2|C<3>}	118.8890	0.626	30	118.8992	0.489	32	118.6902	0.605	50	117.8431	0.940	477	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-4:	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHHN)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHHN){1|H<1>,2|C<3>}	119.1345	0.943	2	119.1345	0.888	2	118.6902	0.605	50	117.8431	0.940	477	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:P-4:	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]P)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(PC[6a]2O)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]P){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|P<4>,3|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(PC[6a]2O){1|H<1>,2|C<3>}	117.0820	0.000	1	117.0820	0.000	1	117.0820	0.000	1	117.8431	0.940	477	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3){1|H<1>,2|C<3>}	118.8860	0.042	2	118.8860	0.002	2	117.8786	0.735	294	117.8431	0.940	477	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Br)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(CCHH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|Br<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Br)(N[6a]C[6a]){1|C<4>,2|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(CCHH){1|H<1>,4|C<3>}	118.0600	0.000	1	118.0600	0.000	1	117.8786	0.735	294	117.8431	0.940	477	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Br)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(CBr2H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|Br<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Br)(N[6a]C[6a]){1|Br<1>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(CBr2H){1|H<1>,2|C<3>}	119.1930	0.000	1	119.1930	0.000	1	117.8786	0.735	294	117.8431	0.940	477	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Br)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(CH3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|Br<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Br)(N[6a]C[6a]){1|C<4>,2|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(CH3){1|H<1>,2|C<3>}	118.9845	0.159	2	118.9845	0.025	2	117.8786	0.735	294	117.8431	0.940	477	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Br)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|Br<1>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Br)(N[6a]C[6a]){1|C<4>,2|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3){1|H<1>,2|C<3>}	117.9790	0.000	1	117.9790	0.000	1	117.8786	0.735	294	117.8431	0.940	477	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CF3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){1|C<2>,1|C<4>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CF3){1|C<2>,2|C<3>}	116.8167	0.288	8	116.5079	0.126	27	117.8786	0.735	294	117.8431	0.940	477	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CF3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CF3){1|N<3>,2|C<3>}	115.7270	0.000	1	116.5079	0.126	27	117.8786	0.735	294	117.8431	0.940	477	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CF3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CF3){1|O<2>,2|C<3>}	116.2230	0.085	5	116.5079	0.126	27	117.8786	0.735	294	117.8431	0.940	477	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CF3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){2|C<3>,2|C<4>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CF3){1|C<4>,2|C<3>}	116.4875	0.273	13	116.5079	0.126	27	117.8786	0.735	294	117.8431	0.940	477	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Cl)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCHH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|Cl<1>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Cl)(N[6a]C[6a]){1|C<4>,2|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCHH){1|H<1>,2|C<3>}	117.5240	0.000	1	117.5240	0.000	1	117.8786	0.735	294	117.8431	0.940	477	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Cl)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|Cl<1>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Cl)(N[6a]C[6a]){1|C<4>,2|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3){1|H<1>,2|C<3>}	117.7120	0.000	1	117.7120	0.000	1	117.8786	0.735	294	117.8431	0.940	477	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(CC3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(CC3){1|H<1>,2|C<3>}	119.2030	0.000	1	119.2030	0.000	1	117.8786	0.735	294	117.8431	0.940	477	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(CCHH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(CCHH){1|H<1>,2|C<3>}	119.6250	0.000	1	118.9052	0.240	4	117.8786	0.735	294	117.8431	0.940	477	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(CCHH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(CCHH){3|C<3>}	118.7220	0.000	1	118.9052	0.240	4	117.8786	0.735	294	117.8431	0.940	477	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(CCHH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(CCHH){1|Cl<1>,2|C<3>}	118.5260	0.000	1	118.9052	0.240	4	117.8786	0.735	294	117.8431	0.940	477	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(CCHH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,2|C<4>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(CCHH){1|H<1>,2|C<3>}	118.7480	0.000	1	118.9052	0.240	4	117.8786	0.735	294	117.8431	0.940	477	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(CH3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(CH3){1|N<3>,2|C<3>}	118.8455	0.139	2	118.4564	0.089	40	117.8786	0.735	294	117.8431	0.940	477	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(CH3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(CH3){1|H<1>,2|C<3>}	119.1550	0.000	1	118.4564	0.089	40	117.8786	0.735	294	117.8431	0.940	477	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(CH3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(CH3){3|C<3>}	118.4446	0.262	30	118.4564	0.089	40	117.8786	0.735	294	117.8431	0.940	477	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(CH3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,1|C<4>,1|H<1>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(CH3){3|C<3>}	118.7190	0.000	1	118.4564	0.089	40	117.8786	0.735	294	117.8431	0.940	477	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(CH3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,2|C<4>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(CH3){1|C<4>,2|C<3>}	118.2253	0.240	6	118.4564	0.089	40	117.8786	0.735	294	117.8431	0.940	477	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCCH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>}	118.7223	0.202	3	118.5275	0.179	4	117.8786	0.735	294	117.8431	0.940	477	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCCH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCCH){1|Cl<1>,2|C<3>}	117.9430	0.000	1	118.5275	0.179	4	117.8786	0.735	294	117.8431	0.940	477	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCHH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCHH){1|H<1>,2|C<3>}	118.7107	0.493	6	118.7107	0.243	6	117.8786	0.735	294	117.8431	0.940	477	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CC[6a]CS)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,2|C<4>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CC[6a]CS){1|C<4>,2|C<3>}	118.5180	0.578	2	118.5180	0.335	2	117.8786	0.735	294	117.8431	0.940	477	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CC[6a]HH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CC[6a]HH){1|H<1>,2|C<3>}	118.1300	0.062	2	118.1300	0.004	2	117.8786	0.735	294	117.8431	0.940	477	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCl3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCl3){1|H<1>,2|C<3>}	117.7305	0.342	2	117.7793	0.065	3	117.8786	0.735	294	117.8431	0.940	477	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCl3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCl3){1|H<1>,2|C<3>}	117.8770	0.000	1	117.7793	0.065	3	117.8786	0.735	294	117.8431	0.940	477	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CF3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<2>,1|C<4>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CF3){1|C<2>,2|C<3>}	117.1910	0.000	1	117.3679	0.213	14	117.8786	0.735	294	117.8431	0.940	477	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CF3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CF3){1|C<4>,2|C<3>}	117.5468	0.278	11	117.3679	0.213	14	117.8786	0.735	294	117.8431	0.940	477	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CF3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|S<6>,2|C<3>,2|C<4>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CF3){1|C<4>,2|C<3>}	116.4725	0.047	2	117.3679	0.213	14	117.8786	0.735	294	117.8431	0.940	477	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|N<1>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3){1|N<1>,2|C<3>}	117.4500	0.000	1	118.9121	3.462	8	117.8786	0.735	294	117.8431	0.940	477	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3){1|N<3>,2|C<3>}	118.2010	0.000	1	118.9121	3.462	8	117.8786	0.735	294	117.8431	0.940	477	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|P<4>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3){1|P<4>,2|C<3>}	118.5720	0.000	1	118.9121	3.462	8	117.8786	0.735	294	117.8431	0.940	477	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3){1|H<1>,2|C<3>}	118.7550	0.000	1	118.9121	3.462	8	117.8786	0.735	294	117.8431	0.940	477	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3){3|C<3>}	118.2345	0.032	2	118.9121	3.462	8	117.8786	0.735	294	117.8431	0.940	477	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,1|H<1>,2|C<3>,2|C<4>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3){1|Cl<1>,2|C<3>}	118.4320	0.000	1	118.9121	3.462	8	117.8786	0.735	294	117.8431	0.940	477	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3){1|C<4>,2|C<3>}	123.4180	0.000	1	118.9121	3.462	8	117.8786	0.735	294	117.8431	0.940	477	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHHN)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHHN){1|H<1>,2|C<3>}	117.8975	0.364	40	117.8975	0.133	40	117.8786	0.735	294	117.8431	0.940	477	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHHP)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHHP){1|H<1>,2|C<3>}	117.8940	0.314	3	117.8940	0.099	3	117.8786	0.735	294	117.8431	0.940	477	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHHS)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHHS){1|H<1>,2|C<3>}	118.2078	0.533	4	118.2078	0.284	4	117.8786	0.735	294	117.8431	0.940	477	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CN[6]HH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CN[6]HH){1|H<1>,2|C<3>}	117.7657	0.355	3	117.7657	0.126	3	117.8786	0.735	294	117.8431	0.940	477	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]I)(CF3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|I<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]I)(CF3){3|C<3>}	118.6290	0.000	1	118.6290	0.000	1	117.8786	0.735	294	117.8431	0.940	477	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]P)(CF3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|P<4>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]P)(CF3){1|H<1>,2|C<3>}	118.6420	0.000	1	118.6420	0.000	1	117.8786	0.735	294	117.8431	0.940	477	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCl3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){1|C<4>,2|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCl3){1|H<1>,2|C<3>}	116.8980	0.000	1	116.8980	0.000	1	117.8786	0.735	294	117.8431	0.940	477	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){1|C<4>,2|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3){1|H<1>,2|C<3>}	118.5873	0.404	6	118.5675	0.278	8	117.8786	0.735	294	117.8431	0.940	477	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){2|C<3>,2|C<4>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3){1|C<4>,2|C<3>}	117.7590	0.000	1	118.5675	0.278	8	117.8786	0.735	294	117.8431	0.940	477	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){2|C<3>,2|C<4>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3){1|H<1>,2|C<3>}	119.2570	0.000	1	118.5675	0.278	8	117.8786	0.735	294	117.8431	0.940	477	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHHN)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){1|C<4>,2|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHHN){1|H<1>,2|C<3>}	118.3160	0.000	1	118.3160	0.000	1	117.8786	0.735	294	117.8431	0.940	477	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCHH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){1|C<4>,2|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCHH){1|H<1>,2|C<3>}	118.0050	0.273	2	118.0050	0.074	2	117.8786	0.735	294	117.8431	0.940	477	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){1|C<4>,2|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3){1|H<1>,2|C<3>}	118.2572	0.617	8	118.3414	0.397	9	117.8786	0.735	294	117.8431	0.940	477	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){2|Br<1>,1|C<4>,1|H<1>,2|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3){1|H<1>,2|C<3>}	119.0150	0.000	1	118.3414	0.397	9	117.8786	0.735	294	117.8431	0.940	477	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHHN)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){1|C<4>,2|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHHN){1|H<1>,2|C<3>}	117.8727	0.256	8	117.8727	0.066	8	117.8786	0.735	294	117.8431	0.940	477	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHHS)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){1|C<4>,2|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHHS){1|H<1>,2|C<3>}	118.5160	0.000	1	118.5160	0.000	1	117.8786	0.735	294	117.8431	0.940	477	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CN[5]HH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){1|C<4>,2|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CN[5]HH){1|H<1>,2|C<3>}	117.7720	0.000	1	117.7720	0.000	1	117.8786	0.735	294	117.8431	0.940	477	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]N[6])(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CCHH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]N[6])(N[6a]C[6a]){1|N<3>,3|C<3>,3|C<4>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CCHH){2|C<3>}	118.5463	0.124	4	118.5463	0.015	4	117.8786	0.735	294	117.8431	0.940	477	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]O)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CCHH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|N<2>,1|O<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]O)(N[6a]C[6a]){1|C<4>,1|O<2>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CCHH){2|C<3>}	117.2925	0.151	2	117.2925	0.023	2	117.8786	0.735	294	117.8431	0.940	477	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CCHH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CCHH){2|C<3>}	117.6995	0.018	2	117.6995	0.000	2	117.8786	0.735	294	117.8431	0.940	477	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]Cl)(CCHO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|Cl<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|C<4>,1|H<1>,5|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]Cl)(CCHO){2|C<3>}	118.5780	0.000	1	118.5780	0.000	1	117.8786	0.735	294	117.8431	0.940	477	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Br)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CF3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|Br<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Br)(N[6a]C[6a]){1|C<4>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CF3){2|C<3>}	116.5230	0.000	1	116.5230	0.000	1	117.8786	0.735	294	117.8431	0.940	477	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CCHH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CCHH){2|C<3>}	117.6610	0.169	3	117.6610	0.029	3	117.8786	0.735	294	117.8431	0.940	477	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CH3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<2>,1|H<1>,1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CH3){2|C<3>}	117.1630	0.000	1	117.3526	0.338	20	117.8786	0.735	294	117.8431	0.940	477	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CH3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CH3){2|C<3>}	116.8770	0.345	2	117.3526	0.338	20	117.8786	0.735	294	117.8431	0.940	477	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CH3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CH3){2|C<3>}	116.8852	0.355	4	117.3526	0.338	20	117.8786	0.735	294	117.8431	0.940	477	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CH3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CH3){2|C<3>}	116.9620	0.197	2	117.3526	0.338	20	117.8786	0.735	294	117.8431	0.940	477	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CH3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CH3){2|C<3>}	117.6973	0.539	11	117.3526	0.338	20	117.8786	0.735	294	117.8431	0.940	477	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CHHS)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CHHS){2|C<3>}	116.9526	0.587	20	116.9526	0.345	20	117.8786	0.735	294	117.8431	0.940	477	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]Cl)(CH3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]Cl)(CH3){2|C<3>}	118.2690	0.000	1	118.2690	0.000	1	117.8786	0.735	294	117.8431	0.940	477	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(CCHH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|N<2>,2|C<3>,2|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(CCHH){2|C<3>}	116.6700	0.000	1	116.6700	0.000	1	117.8786	0.735	294	117.8431	0.940	477	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(CC[6a]FF)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|N<2>,2|C<3>,2|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(CC[6a]FF){2|C<3>}	116.3650	0.000	1	116.3650	0.000	1	117.8786	0.735	294	117.8431	0.940	477	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(CN[5a]HH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|N<2>,2|C<3>,2|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(CN[5a]HH){2|C<3>}	116.3170	0.000	1	116.3170	0.000	1	117.8786	0.735	294	117.8431	0.940	477	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]I)(CCFF)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|I<1>,1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]I)(CCFF){2|C<3>}	118.3150	0.000	1	118.3150	0.000	1	117.8786	0.735	294	117.8431	0.940	477	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]N)(CH3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]N)(CH3){2|C<3>}	118.4200	0.000	1	118.4200	0.000	1	117.8786	0.735	294	117.8431	0.940	477	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(CCHH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(CCHH){1|H<1>,2|C<3>}	118.4700	0.000	1	118.3480	0.030	2	117.8786	0.735	294	117.8431	0.940	477	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(CCHH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,2|C<4>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(CCHH){1|C<4>,2|C<3>}	118.2260	0.000	1	118.3480	0.030	2	117.8786	0.735	294	117.8431	0.940	477	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(CCOO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(CCOO){1|H<1>,2|C<3>}	119.0670	0.000	1	119.0670	0.000	1	117.8786	0.735	294	117.8431	0.940	477	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(CC[6a]FF)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|F<1>,1|H<1>,2|C<3>,2|C<4>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(CC[6a]FF){1|C<4>,2|C<3>}	117.6890	0.085	2	117.6890	0.007	2	117.8786	0.735	294	117.8431	0.940	477	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(CC[6a]HH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(CC[6a]HH){1|H<1>,2|C<3>}	119.1510	0.000	1	119.1510	0.000	1	117.8786	0.735	294	117.8431	0.940	477	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(CF3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,2|C<3>,2|C<4>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(CF3){2|C<3>}	117.0810	0.000	1	117.0810	0.000	1	117.8786	0.735	294	117.8431	0.940	477	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(CH3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(CH3){2|C<3>}	117.9250	0.000	1	118.5601	0.082	16	117.8786	0.735	294	117.8431	0.940	477	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(CH3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(CH3){1|H<1>,2|C<3>}	118.8470	0.000	1	118.5601	0.082	16	117.8786	0.735	294	117.8431	0.940	477	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(CH3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,2|C<4>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(CH3){1|C<4>,2|C<3>}	118.5849	0.237	14	118.5601	0.082	16	117.8786	0.735	294	117.8431	0.940	477	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]S)(CH3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]S)(CH3){2|C<3>}	117.9228	0.479	4	117.9228	0.229	4	117.8786	0.735	294	117.8431	0.940	477	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]N[6a]O)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CH3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|N<2>,1|O<1>,2|N<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]N[6a]O)(N[6a]C[6a]){1|H<1>,2|C<3>,2|C<4>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CH3){2|C<3>}	117.5480	0.364	4	117.5480	0.133	4	117.8786	0.735	294	117.8431	0.940	477	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]N[6a]O)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(CCHH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|N<2>,1|O<1>,1|O<2>,2|N<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]N[6a]O)(N[6a]C[6a]){2|C<3>,3|C<4>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(CCHH){2|C<3>}	117.8440	0.000	1	117.8440	0.000	1	117.8786	0.735	294	117.8431	0.940	477	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C[3]-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[3])	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(C[3]C[3]2H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[3]){2|H<1>,3|C<3>,3|C<4>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(C[3]C[3]2H){3|C<3>,4|H<1>}	118.3855	0.732	2	118.3855	0.536	2	118.1762	0.388	4	117.8431	0.940	477	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C[3]-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[3])	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(C[3]C[3]2C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[3]){1|C<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(C[3]C[3]2C){3|C<3>,4|H<1>}	118.4430	0.000	1	118.4430	0.000	1	118.1762	0.388	4	117.8431	0.940	477	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C[3]-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[3])	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(C[3]C[3]2H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[3]){2|C<4>,3|C<3>,3|H<1>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,2|C<4>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(C[3]C[3]2H){1|C<4>,2|C<3>,4|H<1>}	117.4910	0.000	1	117.4910	0.000	1	118.1762	0.388	4	117.8431	0.940	477	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C[6]-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6]C[6]2H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6]){2|C<4>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6]C[6]2H){1|N<3>,2|C<4>,4|C<3>,4|H<1>}	119.2360	0.000	1	119.2360	0.000	1	118.4473	0.447	7	117.8431	0.940	477	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C[6]-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(C[6]C[6]2H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6]){2|C<4>,3|C<3>,3|H<1>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(C[6]C[6]2H){1|S<4>,2|C<3>,2|C<4>,4|H<1>}	118.8570	0.000	1	118.8570	0.000	1	118.4473	0.447	7	117.8431	0.940	477	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C[6]-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(C[6]N[6]2H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6]){2|N<3>,3|C<3>,3|H<1>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(C[6]N[6]2H){1|N<2>,2|H<1>,4|C<3>}	117.4250	0.000	1	117.5225	0.019	2	118.4473	0.447	7	117.8431	0.940	477	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C[6]-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(C[6]N[6]2H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6]){2|N<3>,3|C<3>,3|H<1>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(C[6]N[6]2H){2|C<3>,2|H<1>,3|C<4>}	117.6200	0.000	1	117.5225	0.019	2	118.4473	0.447	7	117.8431	0.940	477	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C[6]-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(C[6]C[6]2H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6]){1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|F<1>,1|H<1>,2|C<3>,2|C<4>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(C[6]C[6]2H){2|C<3>,3|C<4>,4|H<1>}	118.7520	0.000	1	118.6643	0.012	3	118.4473	0.447	7	117.8431	0.940	477	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C[6]-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(C[6]C[6]2H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6]){1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,2|C<4>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(C[6]C[6]2H){2|C<3>,3|C<4>,4|H<1>}	118.6205	0.112	2	118.6643	0.012	3	118.4473	0.447	7	117.8431	0.940	477	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:P-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]P)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(PC[6a]2O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]P){1|N<2>,2|C<3>,2|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|O<2>,1|P<4>,2|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(PC[6a]2O){2|C<3>}	116.6890	0.018	2	116.5267	0.079	3	116.4011	0.813	34	117.8431	0.940	477	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:P-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]P)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(PC[6a]2O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]P){1|N<2>,2|C<3>,2|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|P<4>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(PC[6a]2O){2|C<3>}	116.2020	0.000	1	116.5267	0.079	3	116.4011	0.813	34	117.8431	0.940	477	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:P-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]P)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(PO3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]P){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|P<4>,2|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(PO3){1|H<1>,2|C<3>}	118.4440	0.000	1	118.4440	0.000	1	116.4011	0.813	34	117.8431	0.940	477	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:P-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]P)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]P)(PCCO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]P){1|H<1>,1|N<2>,1|P<4>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|P<4>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]P)(PCCO){2|C<3>}	118.0650	0.000	1	118.0650	0.000	1	116.4011	0.813	34	117.8431	0.940	477	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:P-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]P)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]P)(PCoCC)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]P){1|H<1>,1|N<2>,1|P<4>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|P<4>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]P)(PCoCC){2|C<3>}	116.3660	0.533	2	116.3660	0.284	2	116.4011	0.813	34	117.8431	0.940	477	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:P-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]P)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]P)(PNiCC)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]P){1|H<1>,1|N<2>,1|P<4>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|P<4>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]P)(PNiCC){2|C<3>}	115.3485	0.224	2	115.3485	0.050	2	116.4011	0.813	34	117.8431	0.940	477	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:P-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]P)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]P)(PPdCC)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]P){1|H<1>,1|N<2>,1|P<4>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|P<4>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]P)(PPdCC){2|C<3>}	116.5741	0.719	9	116.5741	0.517	9	116.4011	0.813	34	117.8431	0.940	477	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:P-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]P)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]P)(PPtCC)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]P){1|H<1>,1|N<2>,1|P<4>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|P<4>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]P)(PPtCC){2|C<3>}	116.1240	0.925	10	116.1240	0.855	10	116.4011	0.813	34	117.8431	0.940	477	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:P-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]P)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]P)(PReCC)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]P){1|H<1>,1|N<2>,1|P<4>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|P<4>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]P)(PReCC){2|C<3>}	117.1115	1.092	2	117.1115	1.194	2	116.4011	0.813	34	117.8431	0.940	477	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:P-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]P)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]P)(PRhCC)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]P){1|H<1>,1|N<2>,1|P<4>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|P<4>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]P)(PRhCC){2|C<3>}	115.8727	0.557	4	115.8727	0.310	4	116.4011	0.813	34	117.8431	0.940	477	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:S-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(SC[6a]OO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|S<4>,2|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(SC[6a]OO){1|H<1>,2|C<3>}	116.6940	0.337	2	116.6940	0.113	2	116.8093	0.097	3	117.8431	0.940	477	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:S-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(SNOO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|S<4>,2|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(SNOO){1|H<1>,2|C<3>}	117.0400	0.000	1	117.0400	0.000	1	116.8093	0.097	3	117.8431	0.940	477	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-3:C-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(CH3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C){5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(CH3){1|N<2>,1|O<1>,3|C<3>}	120.6890	0.000	1	120.6890	0.000	1	118.0252	0.665	38	117.8431	0.940	477	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-3:C-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(CCHN)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,1|F<1>,1|H<1>,1|N<3>,1|O<1>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(CCHN){1|O<1>,4|C<3>}	118.5150	0.000	1	118.5150	0.000	1	118.0252	0.665	38	117.8431	0.940	477	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-3:C-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(CH3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,1|H<1>,1|O<1>,2|N<3>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(CH3){1|O<1>,4|C<3>}	117.6950	0.000	1	118.0810	0.453	10	118.0252	0.665	38	117.8431	0.940	477	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-3:C-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(CH3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(CH3){1|O<1>,4|C<3>}	118.1239	0.699	9	118.0810	0.453	10	118.0252	0.665	38	117.8431	0.940	477	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-3:C-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(CCHH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(CCHH){1|O<1>,2|C<3>}	117.8440	0.000	1	117.8440	0.000	1	118.0252	0.665	38	117.8431	0.940	477	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-3:C-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(CCHN)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(CCHN){1|O<1>,2|C<3>}	118.0100	0.000	1	118.0100	0.000	1	118.0252	0.665	38	117.8431	0.940	477	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-3:C-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(CH3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(CH3){1|O<1>,2|C<3>}	117.3950	0.000	1	117.3950	0.000	1	118.0252	0.665	38	117.8431	0.940	477	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-3:C-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]H)(CCl3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]H)(CCl3){1|O<1>,2|C<3>}	116.4320	0.646	3	116.4320	0.417	3	118.0252	0.665	38	117.8431	0.940	477	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-3:C-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]N)(CCHH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]N)(CCHH){1|O<1>,2|C<3>}	118.2690	0.323	4	118.2690	0.105	4	118.0252	0.665	38	117.8431	0.940	477	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-3:C-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]N)(CCHO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]N)(CCHO){1|O<1>,2|C<3>}	117.9195	0.401	2	118.3397	0.193	6	118.0252	0.665	38	117.8431	0.940	477	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-3:C-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]N)(CCHO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]N)(CCHO){1|O<1>,2|C<3>}	118.5498	0.302	4	118.3397	0.193	6	118.0252	0.665	38	117.8431	0.940	477	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-3:C-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]N)(CC[6a]2H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]N)(CC[6a]2H){1|O<1>,2|C<3>}	118.6035	0.599	2	118.6035	0.359	2	118.0252	0.665	38	117.8431	0.940	477	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-3:C-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]N)(CH3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]N)(CH3){1|O<1>,2|C<3>}	117.7590	0.000	1	117.9465	0.090	4	118.0252	0.665	38	117.8431	0.940	477	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-3:C-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]N)(CH3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]N)(CH3){1|O<1>,2|C<3>}	118.0090	0.335	3	117.9465	0.090	4	118.0252	0.665	38	117.8431	0.940	477	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-3:C-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]N)(CHHN)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]N)(CHHN){1|O<1>,2|C<3>}	117.7400	0.000	1	117.7400	0.000	1	118.0252	0.665	38	117.8431	0.940	477	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-3:C-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(CH3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C){1|O<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(CH3){1|O<1>,4|C<3>}	117.5167	0.050	3	117.5167	0.002	3	118.0252	0.665	38	117.8431	0.940	477	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-4:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C)(N[6a]C[6a]){1|C<3>,1|N<3>,2|C<4>,2|O<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|N<3>}	116.8770	0.000	1	117.4447	0.107	10	117.4001	0.391	18	117.8431	0.940	477	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-4:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C)(N[6a]C[6a]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,1|N<3>}	117.5078	0.276	9	117.4447	0.107	10	117.4001	0.391	18	117.8431	0.940	477	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-4:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a]C)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CH3)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C){1|C<4>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a]C)(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<3>,2|O<1>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CH3){1|C<3>,1|N<3>}	117.7313	0.248	4	117.3444	0.804	8	117.4001	0.391	18	117.8431	0.940	477	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-4:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a]C)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CH3)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C){1|N<2>,2|C<3>,2|C<4>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a]C)(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<3>,2|O<1>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CH3){1|C<3>,1|N<3>}	116.9575	1.190	4	117.3444	0.804	8	117.4001	0.391	18	117.8431	0.940	477	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a]C[5a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,4|C<3>}	C[6a,6a](C[6a]C[5a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|C<4>,3|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3){1|H<1>,2|C<3>}	118.6075	0.019	2	118.6075	0.000	2	118.6075	0.000	2	117.8431	0.940	477	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:4:	C[6a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-4:	N[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]C)	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CF3)	N[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]C){1|H<1>,4|C<3>}	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|N<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CF3){1|C<3>,1|C<4>,1|N<3>}	115.0410	0.000	1	115.0410	0.000	1	116.8543	1.041	7	117.8431	0.940	477	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:4:	C[6a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-4:	N[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]C)	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]C){1|H<1>,4|C<3>}	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|H<1>,1|N<2>,3|C<3>,3|C<4>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|N<3>}	117.5517	0.417	4	117.1565	0.482	6	116.8543	1.041	7	117.8431	0.940	477	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:4:	C[6a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-4:	N[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]C)	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]C){1|H<1>,4|C<3>}	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|N<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|N<3>}	116.3660	0.126	2	117.1565	0.482	6	116.8543	1.041	7	117.8431	0.940	477	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:4:	C[6a,6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-4:	N[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(CH3)	N[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(CH3){1|C<3>,1|N<3>,1|O<1>}	117.8740	0.000	1	118.2915	0.349	2	118.2915	0.349	2	117.8431	0.940	477	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:4:	C[6a,6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C-4:	N[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(CH3)	N[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,4|C<3>}	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(CH3){1|C<3>,1|N<3>,1|O<1>}	118.7090	0.000	1	118.2915	0.349	2	118.2915	0.349	2	117.8431	0.940	477	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:4:2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a]-2:C[3]-4:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]N[6a]C[3])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[3]C[3]2H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]N[6a]C[3]){1|H<1>,2|C<4>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|C<4>,1|N<2>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[3]C[3]2H)(N[6a]C[6a]){2|C<3>,5|H<1>}	116.6540	0.000	1	116.6540	0.000	1	116.6540	0.000	1	118.9127	10.237	3	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:4:2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[5]-4:O[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]C[5])	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[5]C[5]2Fe)(O[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]C[5]){1|Fe<10>,1|H<1>,2|C<4>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[5]C[5]2Fe)(O[6a]C[6a]){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	117.5100	0.000	1	117.5100	0.000	1	117.5100	0.000	1	118.9127	10.237	3	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:4:2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[5]-4:S[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]S[6a]C[5])	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[5]C[5]2Fe)(S[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]S[6a]C[5]){1|Fe<10>,1|H<1>,2|C<4>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,1|O<1>,1|S<2>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[5]C[5]2Fe)(S[6a]C[6a]){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	122.5740	0.000	1	122.5740	0.000	1	122.5740	0.000	1	118.9127	10.237	3	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:4:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C-4:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(CC[6a]P[6]C)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(CC[6a]P[6]C)(C[6a]C[6a]H){1|H<1>,2|C<3>}	117.6200	0.000	1	117.6200	0.000	1	117.6200	0.000	1	117.7811	0.518	12	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:4:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[5]-4:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[5]C[5]2Fe)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5]){1|Fe<10>,2|C<4>,2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[5]C[5]2Fe)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	118.0382	0.260	6	118.0382	0.068	6	117.8661	0.570	10	117.7811	0.518	12	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:4:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[5]-4:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[5]C[5]2Fe)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5]){1|Fe<10>,1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){1|C<4>,2|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[5]C[5]2Fe)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	118.6460	0.168	2	118.6460	0.028	2	117.8661	0.570	10	117.7811	0.518	12	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:4:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[5]-4:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[5]C[5]2Fe)(C[6a]N[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5]){1|Fe<10>,1|N<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[5]C[5]2Fe)(C[6a]N[6a]H){2|C<3>,2|C<4>,2|H<1>}	116.6220	0.000	1	116.6220	0.000	1	117.8661	0.570	10	117.7811	0.518	12	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:4:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[5]-4:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[5]C[5]2Mn)(C[6a]N[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5]){1|Mn<8>,1|N<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[5]C[5]2Mn)(C[6a]N[6a]H){2|C<3>,2|C<4>,2|H<1>}	116.5180	0.000	1	116.5180	0.000	1	117.8661	0.570	10	117.7811	0.518	12	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:4:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[5]-4:N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C[5])	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[5]C[5]2Fe)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C[5]){1|Fe<10>,2|C<4>,2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[5]C[5]2Fe)(N[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	117.0920	0.000	1	117.0920	0.000	1	117.0920	0.000	1	117.7811	0.518	12	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a,6a]-3:C[6a]-3:	C[3x6a]-3:C[6a,6a]-3:N[6a]-2:	C[6,6a]-3:N[6a]-2:H-1:	N[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6,6a]H)	C[6a,6a](C[3x6a]C[6,6a,6a]C[6a,6a])(C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a])	C[6a](C[6,6a]C[6,6a,6a]C[6])(N[6a]C[6a,6a])(H)	N[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6,6a]H){5|C<3>}	C[6a,6a](C[3x6a]C[6,6a,6a]C[6a,6a])(C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]){2|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(N[6a]C[6a,6a])(H){1|N<3>,1|O<1>,3|C<3>}	117.2340	0.000	1	117.2340	0.000	1	117.2340	0.000	1	117.5106	1.570	148	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a,6a]-3:C[6a]-3:	C[3x6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:H-1:	N[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6a,6a]H)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a])	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a,6a])(H)	N[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6a,6a]H){5|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]){2|H<1>,6|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a,6a])(H){1|N<3>,1|O<1>,3|C<3>}	117.6060	0.000	1	117.6060	0.000	1	117.6060	0.000	1	117.5106	1.570	148	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a,6a]-3:C[6a]-3:	C[3x6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a,6a]C[3x6a]N[6a])(N[6a]C[6a])	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a,6a])(H)	N[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a,6a]C[3x6a]N[6a])(N[6a]C[6a]){1|H<1>,6|C<3>}	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a,6a])(H){3|C<3>}	117.0785	0.036	2	117.0785	0.001	2	117.0785	0.001	2	117.5106	1.570	148	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a,6a]-3:C[6a]-3:	C[3x6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a,6a])(H)	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a,6a])(H){1|O<2>,2|C<3>}	116.3555	0.042	2	116.3555	0.002	2	116.4840	0.037	4	117.5106	1.570	148	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a,6a]-3:C[6a]-3:	C[3x6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a,6a])(H)	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a,6a])(H){3|C<3>}	116.7590	0.000	1	116.7590	0.000	1	116.4840	0.037	4	117.5106	1.570	148	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a,6a]-3:C[6a]-3:	C[3x6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]O[6a]O)(N[6a]C[6a])	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a,6a])(H)	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]O[6a]O)(N[6a]C[6a]){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a,6a])(H){3|C<3>}	116.4660	0.000	1	116.4660	0.000	1	116.4840	0.037	4	117.5106	1.570	148	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a,6a]-3:C[6a]-3:	C[5a,6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a,6a]C[5a,6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[5a,6a,6a]C[5a,6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a,6a])(H)	N[6a](C[6a,6a]C[5a,6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a,6a](C[5a,6a,6a]C[5a,6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){1|H<1>,2|O<2>,3|C<3>}	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a,6a])(H){1|O<2>,2|C<3>}	116.0240	0.000	1	116.0240	0.000	1	116.0240	0.000	1	117.5106	1.570	148	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[3x6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[3x6a]N[6a])(C[3x6a]C[6a,6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a,6a])(H)	N[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[3x6a]N[6a])(C[3x6a]C[6a,6a]2)(N[6a]C[6a]){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a,6a])(H){3|C<3>}	117.3995	0.260	4	117.3995	0.068	4	117.3995	0.068	4	117.5106	1.570	148	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a,6a])(H)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){3|H<1>,4|C<3>}	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a,6a])(H){1|H<1>,1|S<2>,3|C<3>}	117.6086	0.345	10	117.6086	0.119	10	117.7114	0.115	14	117.5106	1.570	148	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[5a])(N[6a]C[6a,6a])(H)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|N<2>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(N[6a]C[6a,6a])(H){1|H<1>,4|C<3>}	117.9685	0.129	4	117.9685	0.017	4	117.7114	0.115	14	117.5106	1.570	148	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[5,6a]-3:N[6a]-2:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]H)	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]Cl)(N[6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a])(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]H){1|Cl<1>,1|C<4>,3|C<3>}	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]Cl)(N[6a]C[6a]){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a])(H){1|H<1>,5|C<3>}	117.9320	0.000	1	117.9320	0.000	1	118.3050	0.155	3	117.5106	1.570	148	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[5,6a]-3:N[6a]-2:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]H)	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(N[6a]C[6a,6a])(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(N[6a]C[6a,6a])(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	118.2660	0.000	1	118.2660	0.000	1	118.3050	0.155	3	117.5106	1.570	148	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[5,6a]-3:N[6a]-2:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]H)	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a])(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a])(H){1|N<3>,1|O<1>,3|C<3>}	118.7170	0.000	1	118.7170	0.000	1	118.3050	0.155	3	117.5106	1.570	148	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[5a,6a]-3:N[6a]-2:Br-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]Br)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(Br)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]Br){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|Br<1>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(Br){1|S<4>,4|C<3>}	119.8370	0.000	1	119.8370	0.000	1	119.8370	0.000	1	117.5106	1.570	148	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[5a,6a]-3:N[6a]-2:Cl-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]Cl)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a,6a])(Cl)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]Cl){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a,6a])(Cl){1|N<3>,4|C<3>}	117.9080	0.000	1	117.9080	0.000	1	117.7062	0.053	5	117.5106	1.570	148	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[5a,6a]-3:N[6a]-2:Cl-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]Cl)	C[6a,6a](C[6a,6a]N[5a,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a,6a])(Cl)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]Cl){1|C<3>,1|H<1>,1|N<3>,2|N<2>}	C[6a,6a](C[6a,6a]N[5a,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a,6a])(Cl){1|N<2>,3|C<3>}	117.6557	0.231	4	117.6557	0.053	4	117.7062	0.053	5	117.5106	1.570	148	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[5a,6a]-3:N[6a]-2:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]H)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]C)(N[6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a,6a])(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]H){1|C<4>,4|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]C)(N[6a]C[6a]){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a,6a])(H){1|H<1>,1|N<3>,3|C<3>}	118.6990	0.000	1	118.7685	0.010	2	117.9129	1.306	17	117.5106	1.570	148	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[5a,6a]-3:N[6a]-2:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]H)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]C)(N[6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a,6a])(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]H){1|C<4>,4|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]C)(N[6a]C[6a]){1|O<2>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a,6a])(H){2|O<2>,3|C<3>}	118.8380	0.000	1	118.7685	0.010	2	117.9129	1.306	17	117.5106	1.570	148	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[5a,6a]-3:N[6a]-2:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]H)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a,6a])(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a,6a])(H){1|N<3>,4|C<3>}	118.1830	0.000	1	118.2453	0.026	6	117.9129	1.306	17	117.5106	1.570	148	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[5a,6a]-3:N[6a]-2:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]H)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a,6a])(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a,6a])(H){1|N<3>,4|C<3>}	118.2090	0.000	1	118.2453	0.026	6	117.9129	1.306	17	117.5106	1.570	148	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[5a,6a]-3:N[6a]-2:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]H)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a,6a])(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a,6a])(H){1|O<2>,4|C<3>}	118.1010	0.093	2	118.2453	0.026	6	117.9129	1.306	17	117.5106	1.570	148	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[5a,6a]-3:N[6a]-2:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]H)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a,6a])(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a,6a])(H){1|O<2>,4|C<3>}	118.4390	0.003	2	118.2453	0.026	6	117.9129	1.306	17	117.5106	1.570	148	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[5a,6a]-3:N[6a]-2:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]H)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|C<3>,3|H<1>}	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>}	118.8190	0.000	1	118.8470	0.042	4	117.9129	1.306	17	117.5106	1.570	148	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[5a,6a]-3:N[6a]-2:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]H)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(H){1|H<1>,4|C<3>}	118.7825	0.306	2	118.8470	0.042	4	117.9129	1.306	17	117.5106	1.570	148	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[5a,6a]-3:N[6a]-2:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]H)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(H){1|S<4>,4|C<3>}	119.0040	0.000	1	118.8470	0.042	4	117.9129	1.306	17	117.5106	1.570	148	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[5a,6a]-3:N[6a]-2:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]H)	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a])(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a])(H){1|C<2>,4|C<3>}	116.1400	0.000	1	116.4246	0.985	5	117.9129	1.306	17	117.5106	1.570	148	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[5a,6a]-3:N[6a]-2:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]H)	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a])(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a])(H){1|H<1>,4|C<3>}	115.6220	0.849	2	116.4246	0.985	5	117.9129	1.306	17	117.5106	1.570	148	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[5a,6a]-3:N[6a]-2:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]H)	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a])(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a])(H){1|I<1>,4|C<3>}	117.5490	0.000	1	116.4246	0.985	5	117.9129	1.306	17	117.5106	1.570	148	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[5a,6a]-3:N[6a]-2:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]H)	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a])(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a])(H){1|S<2>,4|C<3>}	117.1900	0.000	1	116.4246	0.985	5	117.9129	1.306	17	117.5106	1.570	148	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6,6a]-3:N[6a]-2:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]H)	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6,6a]C[6,6a]S[6])(N[6a]C[6a,6a])(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]H){1|H<1>,1|S<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]S[6])(N[6a]C[6a,6a])(H){1|N<3>,3|C<3>}	117.4520	0.291	2	117.3703	0.062	3	117.3703	0.062	3	117.5106	1.570	148	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6,6a]-3:N[6a]-2:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]H)	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6,6a]C[6,6a]S[6])(N[6a]C[6a,6a])(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]H){1|H<1>,1|S<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|S<2>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]S[6])(N[6a]C[6a,6a])(H){1|S<2>,3|C<3>}	117.2070	0.000	1	117.3703	0.062	3	117.3703	0.062	3	117.5106	1.570	148	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:Cl-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]Cl)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(Cl)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]Cl){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(Cl){1|H<1>,4|C<3>}	117.0735	0.146	4	117.0735	0.021	4	117.0735	0.021	4	117.5106	1.570	148	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]H)(N[6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(H){1|H<1>,4|C<3>}	117.5620	0.000	1	117.5620	0.000	1	117.8664	1.703	28	117.5106	1.570	148	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H){5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]){3|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(H){1|H<1>,4|C<3>}	117.2380	0.000	1	117.2380	0.000	1	117.8664	1.703	28	117.5106	1.570	148	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|C<3>,3|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(H){1|H<1>,1|N<2>,3|C<3>}	117.4500	0.218	2	117.8948	2.152	22	117.8664	1.703	28	117.5106	1.570	148	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(H){1|H<1>,4|C<3>}	117.7130	0.030	2	117.8948	2.152	22	117.8664	1.703	28	117.5106	1.570	148	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(H){1|H<1>,4|C<3>}	117.9938	1.718	16	117.8948	2.152	22	117.8664	1.703	28	117.5106	1.570	148	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(H){1|O<2>,4|C<3>}	118.0330	0.000	1	117.8948	2.152	22	117.8664	1.703	28	117.5106	1.570	148	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(H){5|C<3>}	117.4260	0.000	1	117.8948	2.152	22	117.8664	1.703	28	117.5106	1.570	148	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(N[6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H){1|N<3>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(N[6a]C[6a]){3|C<3>,3|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(H){1|H<1>,4|C<3>}	117.9435	0.285	4	117.9435	0.081	4	117.8664	1.703	28	117.5106	1.570	148	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:Cl-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a,6a])(Cl)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl){1|C<4>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){1|Cl<1>,2|C<3>,3|H<1>}	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a,6a])(Cl){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	118.3475	0.100	2	118.3475	0.010	2	117.4693	0.244	20	117.5106	1.570	148	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:Cl-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a,6a])(Cl)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl){2|C<4>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){1|Cl<1>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a,6a])(Cl){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	117.6140	0.000	1	117.6140	0.000	1	117.4693	0.244	20	117.5106	1.570	148	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:Cl-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a,6a])(Cl)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,2|C<3>,3|H<1>}	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a,6a])(Cl){1|H<1>,4|C<3>}	116.7430	0.000	1	116.7430	0.000	1	117.4693	0.244	20	117.5106	1.570	148	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:Cl-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]C[3])(N[6a]C[6a,6a])(Cl)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[3])(N[6a]C[6a,6a])(Cl){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	116.4870	0.000	1	116.9227	0.151	3	117.4693	0.244	20	117.5106	1.570	148	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:Cl-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]C[3])(N[6a]C[6a,6a])(Cl)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[3])(N[6a]C[6a,6a])(Cl){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	117.1405	0.135	2	116.9227	0.151	3	117.4693	0.244	20	117.5106	1.570	148	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:Cl-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a,6a])(Cl)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a,6a])(Cl){1|N<3>,1|S<2>,2|C<3>,2|H<1>}	117.3850	0.000	1	117.3850	0.000	1	117.4693	0.244	20	117.5106	1.570	148	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:Cl-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a,6a])(Cl)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a,6a])(Cl){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	117.2230	0.000	1	117.5450	0.148	3	117.4693	0.244	20	117.5106	1.570	148	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:Cl-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a,6a])(Cl)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a,6a])(Cl){2|C<3>,2|H<1>,2|N<3>}	117.4410	0.000	1	117.5450	0.148	3	117.4693	0.244	20	117.5106	1.570	148	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:Cl-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a,6a])(Cl)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a,6a])(Cl){1|H<1>,4|C<3>}	117.9710	0.000	1	117.5450	0.148	3	117.4693	0.244	20	117.5106	1.570	148	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:Cl-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	C[6a](C[6a]C[6a]C[3])(N[6a]C[6a,6a])(Cl)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl){1|C<4>,1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){1|Cl<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[3])(N[6a]C[6a,6a])(Cl){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	117.4180	0.000	1	117.4180	0.000	1	117.4693	0.244	20	117.5106	1.570	148	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:Cl-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a,6a])(Cl)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl){1|C<4>,1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){1|Cl<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a,6a])(Cl){2|C<3>,2|C<4>,2|H<1>}	117.8220	0.000	1	117.8220	0.000	1	117.4693	0.244	20	117.5106	1.570	148	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:Cl-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(Cl)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl){1|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|Cl<1>,1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(Cl){1|N<2>,3|C<3>}	117.6208	0.136	5	117.6208	0.019	5	117.4693	0.244	20	117.5106	1.570	148	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:Cl-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]N[5])(N[6a]C[6a,6a])(Cl)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,2|C<3>,2|H<1>}	C[6a](C[6a]N[6a]N[5])(N[6a]C[6a,6a])(Cl){4|C<3>}	116.6390	0.000	1	116.6390	0.000	1	117.4693	0.244	20	117.5106	1.570	148	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:Cl-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]N[6])(N[6a]C[6a,6a])(Cl)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,2|C<3>,2|H<1>}	C[6a](C[6a]N[6a]N[6])(N[6a]C[6a,6a])(Cl){4|C<3>}	117.5630	0.000	1	117.5630	0.000	1	117.4693	0.244	20	117.5106	1.570	148	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[5a,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]N[6])(N[6a]C[6a,6a])(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]N[6a]N[6])(N[6a]C[6a,6a])(H){2|C<3>,2|C<4>}	117.7660	0.269	2	117.7660	0.072	2	116.5591	0.562	26	117.5106	1.570	148	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a,6a])(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a,6a])(H){1|N<2>,1|N<3>,1|O<2>,2|C<3>}	117.4120	0.000	2	117.2625	0.775	6	116.5591	0.562	26	117.5106	1.570	148	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a,6a])(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a,6a])(H){1|N<2>,1|N<3>,1|S<2>,2|C<3>}	115.6540	0.000	1	117.2625	0.775	6	116.5591	0.562	26	117.5106	1.570	148	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a,6a])(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,4|H<1>}	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a,6a])(H){1|H<1>,1|S<2>,3|C<3>}	117.6990	0.578	3	117.2625	0.775	6	116.5591	0.562	26	117.5106	1.570	148	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Br)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|Br<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Br)(N[6a]C[6a]){2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(H){4|C<3>}	116.1740	0.000	1	116.1740	0.000	1	116.5591	0.562	26	117.5106	1.570	148	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a,6a])(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,3|H<1>}	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a,6a])(H){1|N<2>,1|N<3>,2|C<3>}	116.6820	0.000	1	116.6900	0.000	2	116.5591	0.562	26	117.5106	1.570	148	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a,6a])(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,3|H<1>}	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a,6a])(H){1|S<2>,3|C<3>}	116.6980	0.000	1	116.6900	0.000	2	116.5591	0.562	26	117.5106	1.570	148	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(H){4|C<3>}	116.0560	0.000	1	116.0978	0.104	12	116.5591	0.562	26	117.5106	1.570	148	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(H){4|C<3>}	116.3620	0.429	2	116.0978	0.104	12	116.5591	0.562	26	117.5106	1.570	148	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(H){4|C<3>}	116.2630	0.000	1	116.0978	0.104	12	116.5591	0.562	26	117.5106	1.570	148	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(H){4|C<3>}	116.1770	0.000	1	116.0978	0.104	12	116.5591	0.562	26	117.5106	1.570	148	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(H){4|C<3>}	116.1200	0.010	2	116.0978	0.104	12	116.5591	0.562	26	117.5106	1.570	148	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(H){1|N<2>,3|C<3>}	115.9650	0.000	1	116.0978	0.104	12	116.5591	0.562	26	117.5106	1.570	148	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(H){4|C<3>}	116.1377	0.297	3	116.0978	0.104	12	116.5591	0.562	26	117.5106	1.570	148	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(H){4|C<3>}	115.3350	0.000	1	116.0978	0.104	12	116.5591	0.562	26	117.5106	1.570	148	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]C[5])(N[6a]C[6a,6a])(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,3|H<1>}	C[6a](C[6a]N[6a]C[5])(N[6a]C[6a,6a])(H){1|Fe<10>,2|C<3>,2|C<4>}	116.2430	0.000	1	116.1840	0.007	2	116.5591	0.562	26	117.5106	1.570	148	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]C[5])(N[6a]C[6a,6a])(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,3|H<1>}	C[6a](C[6a]N[6a]C[5])(N[6a]C[6a,6a])(H){1|Mn<8>,2|C<3>,2|C<4>}	116.1250	0.000	1	116.1840	0.007	2	116.5591	0.562	26	117.5106	1.570	148	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,2|C<3>,2|N<2>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(H){4|C<3>}	116.3350	0.000	1	116.3350	0.000	1	116.5591	0.562	26	117.5106	1.570	148	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[5a,6a]-3:N[6a]-2:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]H)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a,6a])(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a,6a])(H){1|N<2>,4|C<3>}	118.1905	0.076	2	118.0920	0.032	3	118.0920	0.032	3	117.5106	1.570	148	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[5a,6a]-3:N[6a]-2:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]H)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a,6a])(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|C<3>,3|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a,6a])(H){5|C<3>}	117.8950	0.000	1	118.0920	0.032	3	118.0920	0.032	3	117.5106	1.570	148	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[5a,6a]-3:N[6a]-2:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]O)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]2)(N[6a]C[6a,6a])(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]O){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|N<2>,1|N<3>,1|O<1>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]2)(N[6a]C[6a,6a])(O){1|N<2>,4|C<3>}	125.0910	0.000	1	125.0910	0.000	1	125.0910	0.000	1	117.5106	1.570	148	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-3:N[6a]-2:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[5a]C[6a])(N[6a]C[6a,6a])(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	C[6a](N[6a]C[5a]C[6a])(N[6a]C[6a,6a])(H){1|N<3>,1|O<1>,3|C<3>}	116.6977	0.466	4	116.6977	0.218	4	116.4683	0.249	7	117.5106	1.570	148	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-3:N[6a]-2:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a,6a])(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a,6a])(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	116.4030	0.000	1	116.4030	0.000	1	116.4683	0.249	7	117.5106	1.570	148	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-3:N[6a]-2:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a]C[6])(N[6a]C[6a,6a])(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	C[6a](N[6a]C[6a]C[6])(N[6a]C[6a,6a])(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	116.0420	0.515	2	116.0420	0.265	2	116.4683	0.249	7	117.5106	1.570	148	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:O-1:	N[6a](C[6a,6a]C[6a,6a]N[6a,6a])(C[6a]C[6a,6a]O)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(O)	N[6a](C[6a,6a]C[6a,6a]N[6a,6a])(C[6a]C[6a,6a]O){5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]){1|H<1>,1|O<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(O){1|H<1>,1|N<3>,3|C<3>}	121.0825	1.928	2	121.0825	3.718	2	121.0825	3.718	2	117.5106	1.570	148	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:H-1:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]2)(N[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(H)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]2)(N[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|O<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(H){1|H<1>,1|N<3>,3|C<3>}	117.8510	0.000	1	117.8510	0.000	1	117.8510	0.000	1	117.5106	1.570	148	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[5a,6a]-3:N[6a]-2:O-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(OC)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(OC){1|N<3>,3|C<3>}	118.4280	0.000	1	118.4280	0.000	1	118.4280	0.000	1	117.6470	0.924	26	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:O-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(OC)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(OC){1|H<1>,4|C<3>}	116.7100	0.095	2	116.7100	0.009	2	116.7100	0.009	2	117.6470	0.924	26	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:S-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]S)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]2)(N[6a]C[6a,6a])(SC)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]S){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|S<2>,2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]2)(N[6a]C[6a,6a])(SC){5|C<3>}	119.5367	0.116	3	119.5367	0.013	3	119.5367	0.013	3	117.6470	0.924	26	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(N[6a]C[6a])	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a,6a])(CC)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(N[6a]C[6a]){1|C<2>,1|H<1>,3|C<3>}	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a,6a])(CC){4|C<3>}	117.2740	0.000	1	117.2740	0.000	1	117.2852	0.035	5	117.6470	0.924	26	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a,6a])(CC)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a,6a])(CC){1|N<3>,3|C<3>}	117.1020	0.000	1	117.3483	0.048	3	117.2852	0.035	5	117.6470	0.924	26	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a,6a])(CC)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a,6a])(CC){1|S<2>,3|C<3>}	117.5170	0.000	1	117.3483	0.048	3	117.2852	0.035	5	117.6470	0.924	26	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a,6a])(CC)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a,6a])(CC){4|C<3>}	117.4260	0.000	1	117.3483	0.048	3	117.2852	0.035	5	117.6470	0.924	26	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(CC)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,1|C<2>,1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(CC){4|C<3>}	117.1070	0.000	1	117.1070	0.000	1	117.2852	0.035	5	117.6470	0.924	26	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a]){1|H<1>,1|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(N[6a]C[6a]){1|H<1>,5|C<3>}	116.6000	0.000	1	116.6000	0.000	1	116.6000	0.000	1	117.6470	0.924	26	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:O-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a,6a])(OC)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O){2|C<4>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a,6a])(OC){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	117.8130	0.000	1	117.8695	0.006	2	117.3115	0.531	11	117.6470	0.924	26	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:O-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a,6a])(OC)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O){2|C<4>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a,6a])(OC){2|C<3>,2|C<4>,2|H<1>}	117.9260	0.000	1	117.8695	0.006	2	117.3115	0.531	11	117.6470	0.924	26	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:O-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a,6a])(OC)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a,6a])(OC){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	118.3300	0.000	1	117.8775	0.410	2	117.3115	0.531	11	117.6470	0.924	26	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:O-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a,6a])(OC)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,2|H<1>,2|O<2>}	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a,6a])(OC){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	117.4250	0.000	1	117.8775	0.410	2	117.3115	0.531	11	117.6470	0.924	26	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:O-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a,6a])(OC)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a,6a])(OC){2|C<3>,2|C<4>,2|H<1>}	117.2537	0.013	3	117.2537	0.000	3	117.3115	0.531	11	117.6470	0.924	26	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:O-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a,6a])(OC)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a,6a])(OC){1|H<1>,4|C<3>}	117.9790	0.000	1	117.9790	0.000	1	117.3115	0.531	11	117.6470	0.924	26	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:O-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a,6a])(OC[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a,6a])(OC[6a]){4|C<3>}	116.2960	0.000	1	116.2960	0.000	1	117.3115	0.531	11	117.6470	0.924	26	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:O-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(OC)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(OC){4|C<3>}	116.4485	0.811	2	116.4485	0.658	2	117.3115	0.531	11	117.6470	0.924	26	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:S-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a,6a])(SC)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|S<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a,6a])(SC){1|H<1>,4|C<3>}	118.3033	0.363	3	118.3033	0.132	3	118.3033	0.132	3	117.6470	0.924	26	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:3:	C[6a,6a]-3:C[6a]-3:	C[3x6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6a]2)	C[6a,6a](C[3x6a]C[5,6a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6a]2){7|C<3>}	C[6a,6a](C[3x6a]C[5,6a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]){1|F<1>,1|N<3>,6|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2){2|H<1>,7|C<3>}	118.0050	0.000	1	118.0050	0.000	1	118.0050	0.000	1	118.1333	0.612	179	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:3:	C[6a,6a]-3:C[6a]-3:	C[3x6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]C[6a])	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]N[6a]H)(N[6a]C[6a])	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2)	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]C[6a]){1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]N[6a]H)(N[6a]C[6a]){1|N<2>,4|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2){3|H<1>,6|C<3>}	118.5575	0.101	2	118.5575	0.010	2	118.5575	0.010	2	118.1333	0.612	179	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:3:	C[6a,6a]-3:C[6a]-3:	C[3x6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-3:	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a,6a])(COO)	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a,6a])(COO){1|O<2>,2|C<3>}	116.9840	0.000	1	116.9840	0.000	1	116.9840	0.000	1	118.1333	0.612	179	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:3:	C[6a,6a]-3:C[6a]-3:	C[3x6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a,6a])(C[6a]C[6a]2)	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a,6a])(C[6a]C[6a]2){1|O<2>,2|H<1>,4|C<3>}	117.7390	0.000	1	117.7390	0.000	1	117.7390	0.000	1	118.1333	0.612	179	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:3:	C[6a,6a]-3:C[6a]-3:	C[3x6a]-3:C[6a]-3:N[6a]-2:	N[6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]N[6a])	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6a,6a])(C[6a]N[6a]2)	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]N[6a]){2|H<1>,2|N<2>,3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<3>,4|C<3>}	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6a,6a])(C[6a]N[6a]2){5|C<3>}	116.9100	0.000	1	116.9100	0.000	1	116.9100	0.000	1	118.1333	0.612	179	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:3:	C[6a,6a]-3:C[6a]-3:	C[3x6a]-3:N[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a]N)	C[6a,6a](C[3x6a]C[6a,6a]2)(N[6a]C[6a,6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(NHH)	N[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a]N){1|H<1>,4|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]2)(N[6a]C[6a,6a]H)(N[6a]C[6a]){1|N<2>,1|N<3>,4|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(NHH){1|N<3>,4|C<3>}	117.1405	0.111	2	117.1405	0.012	2	117.1405	0.012	2	118.1333	0.612	179	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:3:	C[6a,6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-3:	N[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	C[6a](C[6a]C[5,6a]H)(N[6a]C[6a,6a])(COO)	N[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){1|Cl<1>,1|N<3>,4|C<3>}	C[6a](C[6a]C[5,6a]H)(N[6a]C[6a,6a])(COO){3|C<3>}	116.2650	0.000	1	116.2650	0.000	1	116.2650	0.000	1	118.1333	0.612	179	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:3:	C[6a,6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[5,6a]H)(N[6a]C[6a,6a])(C[6a]C[6a]2)	N[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<3>,4|C<3>}	C[6a](C[6a]C[5,6a]H)(N[6a]C[6a,6a])(C[6a]C[6a]2){2|H<1>,5|C<3>}	118.2650	0.000	1	118.2650	0.000	1	118.2650	0.000	1	118.1333	0.612	179	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:3:	C[6a,6a]-3:C[6a]-3:	C[5a,6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-3:	N[6a](C[6a,6a]C[5a,6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[5a,6a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]O)(N[6a]C[6a])	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a,6a])(COO)	N[6a](C[6a,6a]C[5a,6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a,6a](C[5a,6a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]O)(N[6a]C[6a]){1|H<1>,5|C<3>}	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a,6a])(COO){3|C<3>}	117.4835	0.281	2	117.4835	0.079	2	117.4835	0.079	2	118.1333	0.612	179	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:3:	C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]2)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]N[6a])(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2)	N[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]2){1|N<2>,1|N<3>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]N[6a])(N[6a]C[6a]){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	117.5490	0.000	1	117.5490	0.000	1	117.5490	0.000	1	118.1333	0.612	179	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:3:	C[6a,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a,6a]-3:N[6a]-2:	N[5a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]N[5a])	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a](N[5a]C[5a]N[5a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]N[5a]){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6a](N[5a]C[5a]N[5a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	118.2730	0.000	1	118.2730	0.000	1	118.2730	0.000	1	118.1333	0.612	179	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[3x6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[3x6a]C[6a,6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6a]2){7|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[3x6a]C[6a,6a]2)(N[6a]C[6a]){1|H<1>,1|O<2>,6|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2){2|H<1>,7|C<3>}	117.8073	0.372	3	117.8073	0.138	3	117.8073	0.138	3	118.1333	0.612	179	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[5a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[5a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a](C[5a]C[5a]S[5a])(N[6a]C[6a,6a])(C[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[5a]C[6a]){1|C<4>,1|S<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]S[5a])(N[6a]C[6a,6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,4|C<3>}	118.6790	0.000	1	118.6790	0.000	1	117.9977	0.384	3	118.1333	0.612	179	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[5a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[5a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a](C[5a]N[5a]S[5a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[5a]C[6a]){1|H<1>,1|S<2>,2|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){2|H<1>,5|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>}	117.6570	0.266	2	117.6570	0.071	2	117.9977	0.384	3	118.1333	0.612	179	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6,6a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6,6a]C[6a])(N[6a]C[6a])	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a])(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6,6a]C[6a]){1|C<4>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6,6a]C[6a])(N[6a]C[6a]){2|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a])(C[6a]C[6a]2){1|C<4>,4|H<1>,5|C<3>}	118.2190	0.000	1	118.2190	0.000	1	118.2190	0.000	1	118.1333	0.612	179	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]2){1|H<1>,2|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	118.3395	0.001	2	118.3395	0.000	2	118.3395	0.000	2	118.1333	0.612	179	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[5,6,6a]-3:N[6a]-2:C-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6,6a]C)	C[6a,6a](C[6a,6a]C[5,6,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(N[6a]C[6a,6a])(CNO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6,6a]C){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[5,6,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(N[6a]C[6a,6a])(CNO){1|H<1>,2|C<3>,3|C<4>}	118.3580	0.000	1	118.3580	0.000	1	118.3580	0.000	1	118.1333	0.612	179	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[5,6a]-3:N[6a]-2:C-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]C)	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a])(COO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]C){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a])(COO){1|H<1>,2|C<3>,3|C<4>}	118.5480	0.000	1	118.4060	0.040	2	118.4060	0.040	2	118.1333	0.612	179	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[5,6a]-3:N[6a]-2:C-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]C)	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a])(COO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]C){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a])(COO){2|C<3>,2|C<4>,2|H<1>}	118.2640	0.000	1	118.4060	0.040	2	118.4060	0.040	2	118.1333	0.612	179	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[5,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]C[6a])	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]C[6a]){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]2){1|C<4>,2|H<1>,6|C<3>}	118.7150	0.000	1	118.7150	0.000	1	118.7150	0.000	1	118.1333	0.612	179	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[5,6a]-3:N[6a]-2:N-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]N)	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a])(NCH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]N){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a])(NCH){1|N<3>,1|O<2>,4|C<3>}	119.0405	0.218	2	119.0405	0.048	2	118.8867	0.095	3	118.1333	0.612	179	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[5,6a]-3:N[6a]-2:N-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]N)	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a])(NHH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]N){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a])(NHH){1|O<1>,4|C<3>}	118.5790	0.000	1	118.5790	0.000	1	118.8867	0.095	3	118.1333	0.612	179	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[5a,6a]-3:N[6a]-2:C-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(CC[5a]O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(CC[5a]O){1|H<1>,4|C<3>}	119.1380	0.000	1	119.1380	0.000	1	118.6167	0.674	3	118.1333	0.612	179	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[5a,6a]-3:N[6a]-2:C-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C)	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a])(CC[6a]O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a])(CC[6a]O){1|H<1>,4|C<3>}	117.6700	0.000	1	117.6700	0.000	1	118.6167	0.674	3	118.1333	0.612	179	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[5a,6a]-3:N[6a]-2:C-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C)	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a,6a])(CCH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a,6a])(CCH){1|N<2>,3|C<3>}	119.0420	0.000	1	119.0420	0.000	1	118.6167	0.674	3	118.1333	0.612	179	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[5a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C[6a])	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C[6a]){1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|H<1>,3|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>}	120.7270	0.000	1	120.7270	0.000	1	118.8702	0.726	10	118.1333	0.612	179	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[5a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C[6a])	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a])(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C[6a]){1|H<1>,1|N<3>,5|C<3>}	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a])(C[6a]C[6a]2){3|H<1>,6|C<3>}	117.9650	0.000	1	118.5985	0.343	8	118.8702	0.726	10	118.1333	0.612	179	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[5a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C[6a])	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a])(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C[6a]){1|H<1>,1|N<3>,5|C<3>}	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a])(C[6a]C[6a]2){3|H<1>,6|C<3>}	118.6890	0.569	7	118.5985	0.343	8	118.8702	0.726	10	118.1333	0.612	179	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[5a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C[6a])	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a,6a])(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,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>}	119.1870	0.000	1	119.1870	0.000	1	118.8702	0.726	10	118.1333	0.612	179	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[5a,6a]-3:N[6a]-2:N-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]N)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(NCC)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]N){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,2|H<1>,2|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(NCC){1|N<3>,3|C<3>}	120.3660	0.000	1	120.3660	0.000	1	119.1127	1.288	6	118.1333	0.612	179	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[5a,6a]-3:N[6a]-2:N-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]N)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(NC[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]N){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,2|H<1>,2|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>}	120.3020	0.000	1	120.3020	0.000	1	119.1127	1.288	6	118.1333	0.612	179	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[5a,6a]-3:N[6a]-2:N-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]N)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(NHH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]N){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,2|H<1>,2|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(NHH){1|N<3>,3|C<3>}	118.9880	0.000	1	118.9880	0.000	1	119.1127	1.288	6	118.1333	0.612	179	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[5a,6a]-3:N[6a]-2:N-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]N)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(NHN)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]N){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,2|H<1>,2|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(NHN){1|N<3>,3|C<3>}	118.8370	0.406	2	118.8370	0.165	2	119.1127	1.288	6	118.1333	0.612	179	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[5a,6a]-3:N[6a]-2:N-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]N)	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a])(NC[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]N){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a])(NC[6a]H){1|N<2>,1|O<1>,1|O<2>,2|C<3>}	117.3460	0.000	1	117.3460	0.000	1	119.1127	1.288	6	118.1333	0.612	179	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[5a]C[5a,6a]C[5a])(N[6a]C[6a,6a])(C[6a]N[6a]O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a]){1|H<1>,1|N<2>,1|O<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(N[6a]C[6a,6a])(C[6a]N[6a]O){1|N<3>,5|C<3>}	117.6220	0.000	1	117.6220	0.000	1	117.8383	0.494	4	118.1333	0.612	179	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[5a]C[5a]N[5a])(N[6a]C[6a,6a])(C[6a]N[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a]){1|C<2>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(N[6a]C[6a,6a])(C[6a]N[6a]C){1|H<1>,5|C<3>}	117.6510	0.000	1	117.6510	0.000	1	117.8383	0.494	4	118.1333	0.612	179	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[5a]C[5a]S[5a])(N[6a]C[6a,6a])(C[6a]N[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a]){1|C<2>,1|H<1>,1|N<2>,1|S<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]S[5a])(N[6a]C[6a,6a])(C[6a]N[6a]C){1|H<1>,4|C<3>}	118.8520	0.000	1	118.8520	0.000	1	117.8383	0.494	4	118.1333	0.612	179	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[5a]C[5a]S[5a])(N[6a]C[6a,6a])(C[6a]N[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a]){1|N<2>,1|S<2>,2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]S[5a])(N[6a]C[6a,6a])(C[6a]N[6a]H){1|H<1>,4|C<3>}	117.2280	0.000	1	117.2280	0.000	1	117.8383	0.494	4	118.1333	0.612	179	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:N[6a]-2:N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]N[6a])	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[5a]C[5a]N[5a])(N[6a]C[6a,6a])(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]N[6a]){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(N[6a]C[6a,6a])(N[6a]C[6a]C){1|C<4>,1|O<1>,5|C<3>}	117.9140	0.072	2	117.9140	0.005	2	118.1140	0.123	3	118.1333	0.612	179	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:N[6a]-2:N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]N[6a])	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[5a]C[5a]O[5a])(N[6a]C[6a,6a])(N[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]N[6a]){1|H<1>,1|O<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]O[5a])(N[6a]C[6a,6a])(N[6a]C[6a]2){1|H<1>,1|O<1>,6|C<3>}	118.5140	0.000	1	118.5140	0.000	1	118.1140	0.123	3	118.1333	0.612	179	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6,6a]-3:N[6a]-2:C-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]C)	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a])(CNO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]C){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a])(CNO){1|C<4>,2|H<1>,3|C<3>}	118.5240	0.000	1	118.5240	0.000	1	118.5240	0.000	1	118.1333	0.612	179	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a])(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]C[6a]){1|C<4>,1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a])(C[6a]C[6a]2){2|C<4>,4|C<3>,4|H<1>}	118.8600	0.000	1	118.8600	0.000	1	118.8600	0.000	1	118.1333	0.612	179	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:C-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(CNO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(CNO){1|H<1>,4|C<3>}	118.5740	0.000	1	118.5740	0.000	1	118.2400	0.223	2	118.1333	0.612	179	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:C-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(CN[5a]O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(CN[5a]O){1|H<1>,4|C<3>}	117.9060	0.000	1	117.9060	0.000	1	118.2400	0.223	2	118.1333	0.612	179	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a]){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]2){2|H<1>,7|C<3>}	119.5040	0.000	1	119.5040	0.000	1	118.8331	0.287	7	118.1333	0.612	179	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a]){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2){3|H<1>,6|C<3>}	119.1170	0.194	2	118.7213	0.239	6	118.8331	0.287	7	118.1333	0.612	179	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a]){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2){3|H<1>,6|C<3>}	118.5235	0.479	4	118.7213	0.239	6	118.8331	0.287	7	118.1333	0.612	179	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:N-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]N)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(N[6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(NC[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]N){1|C<4>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(N[6a]C[6a]){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(NC[6a]H){1|N<2>,4|C<3>}	120.0520	0.000	1	120.0520	0.000	1	120.0520	0.000	1	118.1333	0.612	179	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:N[6]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]N[6])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(N[6]C[6,6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]N[6]){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(N[6]C[6,6a]2){1|H<1>,8|C<3>}	117.1645	0.654	6	117.1645	0.428	6	117.1645	0.428	6	118.1333	0.612	179	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:P-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]P)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(PCl2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]P){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|P<3>,2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(PCl2){1|H<1>,4|C<3>}	118.8510	0.000	1	118.8510	0.000	1	118.8510	0.000	1	118.1333	0.612	179	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a,6a])(CCH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a,6a])(CCH){4|C<3>}	119.0950	0.000	1	119.0950	0.000	1	117.9250	2.738	2	118.1333	0.612	179	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(COO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|Br<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(COO){4|C<3>}	116.7550	0.000	1	116.7550	0.000	1	117.9250	2.738	2	118.1333	0.612	179	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C[6]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]O)(N[6a]C[6a])	C[6a](C[6a]N[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]N[6])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6]){1|N<2>,1|N<3>,1|O<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]O)(N[6a]C[6a]){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]N[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]N[6]){1|N<3>,2|H<1>,5|C<3>}	118.2150	0.206	2	118.2150	0.043	2	118.2150	0.043	2	118.1333	0.612	179	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[5a,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	118.7310	0.000	1	118.7310	0.000	1	117.9657	0.327	84	118.1333	0.612	179	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	118.3810	0.358	2	118.3810	0.128	2	117.9657	0.327	84	118.1333	0.612	179	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a,6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H){7|C<3>}	117.6850	0.000	1	117.6850	0.000	1	117.9657	0.327	84	118.1333	0.612	179	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5,6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5,6a]H)(N[6a]C[6a]){1|H<1>,1|S<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	118.1428	0.534	8	118.1717	0.226	10	117.9657	0.327	84	118.1333	0.612	179	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5,6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5,6a]H)(N[6a]C[6a]){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	118.2875	0.066	2	118.1717	0.226	10	117.9657	0.327	84	118.1333	0.612	179	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]C)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|C<2>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]C)(N[6a]C[6a]){1|C<2>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2){1|H<1>,7|C<3>}	119.2030	0.163	2	119.2030	0.026	2	117.9657	0.327	84	118.1333	0.612	179	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(N[6a]C[6a]){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	117.6450	0.008	2	117.6450	0.000	2	117.9657	0.327	84	118.1333	0.612	179	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|N<2>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	118.8210	0.000	1	118.8210	0.000	1	117.9657	0.327	84	118.1333	0.612	179	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]N[6a]Cl)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|Cl<1>,2|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]N[6a]Cl){1|N<2>,4|C<3>}	118.7762	0.305	5	118.7762	0.093	5	117.9657	0.327	84	118.1333	0.612	179	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]N[6a]Pd)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|Pd<4>,2|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]N[6a]Pd){1|N<2>,4|C<3>}	117.3380	0.799	3	117.3380	0.638	3	117.9657	0.327	84	118.1333	0.612	179	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|C<2>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(N[6a]C[6a]){1|C<2>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	117.7715	0.285	2	117.7715	0.081	2	117.9657	0.327	84	118.1333	0.612	179	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	117.9370	0.000	1	117.9370	0.000	1	117.9657	0.327	84	118.1333	0.612	179	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	118.1835	0.223	2	117.8229	0.244	49	117.9657	0.327	84	118.1333	0.612	179	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|F<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	117.5600	0.228	3	117.8229	0.244	49	117.9657	0.327	84	118.1333	0.612	179	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	118.1028	0.246	4	117.8229	0.244	49	117.9657	0.327	84	118.1333	0.612	179	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	118.6610	0.623	3	117.8229	0.244	49	117.9657	0.327	84	118.1333	0.612	179	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	117.7260	0.301	2	117.8229	0.244	49	117.9657	0.327	84	118.1333	0.612	179	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2){1|H<1>,7|C<3>}	117.3320	0.000	1	117.8229	0.244	49	117.9657	0.327	84	118.1333	0.612	179	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	117.7382	0.465	34	117.8229	0.244	49	117.9657	0.327	84	118.1333	0.612	179	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|N<2>,1|N<3>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N)(N[6a]C[6a]){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	117.5635	0.245	2	117.6177	0.039	3	117.9657	0.327	84	118.1333	0.612	179	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|N<2>,1|N<3>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N)(N[6a]C[6a]){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	117.7260	0.000	1	117.6177	0.039	3	117.9657	0.327	84	118.1333	0.612	179	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]O)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|N<2>,1|O<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]O)(N[6a]C[6a]){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	118.0795	0.169	2	118.0795	0.029	2	117.9657	0.327	84	118.1333	0.612	179	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a,6a])(NHN)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a,6a])(NHN){2|C<3>,2|H<1>,2|O<2>}	118.7050	0.000	1	118.7050	0.000	1	117.6265	2.326	2	118.1333	0.612	179	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]C[5])(N[6a]C[6a,6a])(NC[6a]N)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]N[6a]C[5])(N[6a]C[6a,6a])(NC[6a]N){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	116.5480	0.000	1	116.5480	0.000	1	117.6265	2.326	2	118.1333	0.612	179	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a]){2|C<4>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(N[6a]C[6a]C){1|H<1>,1|O<1>,5|C<3>}	118.0265	0.011	2	118.0265	0.000	2	118.0265	0.000	2	118.1333	0.612	179	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[5a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]C[6a])	C[6a,6a](C[6a,6a]C[5a,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a,6a])(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]C[6a]){1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a,6a])(C[6a]C[6a]2){2|N<2>,3|H<1>,4|C<3>}	120.4950	0.000	1	120.4950	0.000	1	120.1325	0.263	2	118.1333	0.612	179	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[5a,6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]C[6a])	C[6a,6a](C[6a,6a]C[5a,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]C[6a]){1|H<1>,2|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,5|C<3>}	119.7700	0.000	1	119.7700	0.000	1	120.1325	0.263	2	118.1333	0.612	179	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[5a,6a]-3:N[6a]-2:N-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]N)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(NCH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]N){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,2|H<1>,2|N<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(NCH){4|C<3>}	118.8850	0.000	1	118.8850	0.000	1	118.8850	0.000	1	118.1333	0.612	179	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a]){1|H<1>,1|N<3>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2){1|O<1>,2|H<1>,6|C<3>}	118.7640	0.099	4	118.7640	0.010	4	118.7640	0.010	4	118.1333	0.612	179	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	N[5]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[5])	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[5]C[5,6]C[5])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[5]){1|C<4>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](N[5]C[5,6]C[5])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	117.3762	0.387	4	117.3762	0.150	4	117.3762	0.150	4	118.1333	0.612	179	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a]C[6a]N[5a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|N<3>,5|C<3>}	C[6a,6a](C[6a]C[6a]N[5a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	117.7210	0.000	1	117.7210	0.000	1	117.7210	0.000	1	118.1333	0.612	179	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:4:	C[6a,6a]-3:C[6a]-3:	C[3x6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:C-4:	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]C)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a,6a])(CH3)	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]C){1|H<1>,4|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|Br<1>,1|C<4>,4|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a,6a])(CH3){1|H<1>,4|C<3>}	119.0080	0.181	2	119.0080	0.033	2	119.0080	0.033	2	118.7523	1.473	65	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:4:	C[6a,6a]-3:C[6a]-3:	C[3x6a]-3:C[6a]-3:N[6a]-2:	N[6a]-3:N[6a]-2:C-4:	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]C)	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6a,6a])(CCHO)	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]C){2|H<1>,3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6a,6a])(CCHO){3|C<3>}	116.9462	0.357	4	116.9462	0.127	4	116.9462	0.127	4	118.7523	1.473	65	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[5a,6a]-3:N[6a]-2:C-4:	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[5a,6a]C)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a,6a])(CC3)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[5a,6a]C){1|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]){1|C<4>,1|H<1>,1|S<2>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a,6a])(CC3){1|H<1>,1|S<2>,3|C<3>}	120.4870	0.014	2	120.4870	0.000	2	120.4870	0.000	2	118.7523	1.473	65	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:C-4:	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a,6a]C)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(N[6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]2)(N[6a]C[6a,6a])(CCCH)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a,6a]C){5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(N[6a]C[6a]){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]2)(N[6a]C[6a,6a])(CCCH){5|C<3>}	118.5010	0.000	1	118.5010	0.000	1	118.5010	0.000	1	118.7523	1.473	65	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[5,6a]-3:N[6a]-2:C-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]C)	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]Cl)(N[6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a])(CH3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]C){1|Cl<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]Cl)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a])(CH3){1|N<3>,1|O<1>,3|C<3>}	119.0440	0.000	1	119.0440	0.000	1	119.5325	0.592	4	118.7523	1.473	65	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[5,6a]-3:N[6a]-2:C-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]C)	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(N[6a]C[6a,6a])(CH3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]C){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(N[6a]C[6a,6a])(CH3){1|N<3>,2|C<3>,3|C<4>}	119.3590	0.000	1	119.3590	0.000	1	119.5325	0.592	4	118.7523	1.473	65	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[5,6a]-3:N[6a]-2:C-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]C)	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a])(CCHH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]C){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a])(CCHH){2|C<3>,2|C<4>,2|H<1>}	119.0610	0.000	1	119.0610	0.000	1	119.5325	0.592	4	118.7523	1.473	65	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[5,6a]-3:N[6a]-2:C-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]C)	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a])(CH3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]C){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a])(CH3){1|N<3>,4|C<3>}	120.6660	0.000	1	120.6660	0.000	1	119.5325	0.592	4	118.7523	1.473	65	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[5a,6a]-3:N[6a]-2:C-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)(N[6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a,6a])(CCCH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,1|S<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a,6a])(CCCH){1|H<1>,1|S<2>,3|C<3>}	119.1410	0.000	1	119.1410	0.000	1	119.3081	0.374	12	118.7523	1.473	65	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[5a,6a]-3:N[6a]-2:C-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(N[6a]C[6a,6a])(CH3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(N[6a]C[6a,6a])(CH3){2|S<2>,3|C<3>}	119.5040	0.000	1	119.5040	0.000	1	119.3081	0.374	12	118.7523	1.473	65	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[5a,6a]-3:N[6a]-2:C-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a,6a])(CF3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a,6a])(CF3){1|N<3>,4|C<3>}	118.9810	0.000	1	118.9810	0.000	1	119.3081	0.374	12	118.7523	1.473	65	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[5a,6a]-3:N[6a]-2:C-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(CCHH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(CCHH){1|H<1>,4|C<3>}	119.9500	0.000	1	119.9500	0.000	1	119.3081	0.374	12	118.7523	1.473	65	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[5a,6a]-3:N[6a]-2:C-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(CC[6a]HH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(CC[6a]HH){1|H<1>,4|C<3>}	119.5823	0.476	4	119.5823	0.227	4	119.3081	0.374	12	118.7523	1.473	65	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[5a,6a]-3:N[6a]-2:C-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(CH3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(CH3){1|H<1>,4|C<3>}	119.5795	0.200	2	119.5795	0.040	2	119.3081	0.374	12	118.7523	1.473	65	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[5a,6a]-3:N[6a]-2:C-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C)	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a])(CCHH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a])(CCHH){1|H<1>,4|C<3>}	118.7590	0.000	1	118.7590	0.000	1	119.3081	0.374	12	118.7523	1.473	65	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[5a,6a]-3:N[6a]-2:C-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C)	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a])(CH3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a])(CH3){1|H<1>,4|C<3>}	117.8740	0.000	1	117.8740	0.000	1	119.3081	0.374	12	118.7523	1.473	65	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[5a,6a]-3:N[6a]-2:C[3]-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C[3])	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(C[3]C[3]2H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C[3]){1|N<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	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>}	119.7220	0.000	1	119.7220	0.000	1	119.7220	0.000	1	118.7523	1.473	65	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:C-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C)	C[6a,6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]2)(N[6a]C[6a,6a])(CCCH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]2)(N[6a]C[6a,6a])(CCCH){5|C<3>}	120.0130	0.000	1	120.0130	0.000	1	119.4083	0.660	10	118.7523	1.473	65	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:C-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(CC3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(CC3){1|H<1>,4|C<3>}	120.4325	0.066	2	120.4325	0.004	2	119.4083	0.660	10	118.7523	1.473	65	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:C-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(CCFF)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(CCFF){1|H<1>,4|C<3>}	118.6720	0.000	2	118.6720	0.000	2	119.4083	0.660	10	118.7523	1.473	65	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:C-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(CC[5]HH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(CC[5]HH){1|H<1>,4|C<3>}	119.6150	0.000	1	119.6150	0.000	1	119.4083	0.660	10	118.7523	1.473	65	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:C-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(CC[6a]FF)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(CC[6a]FF){1|H<1>,4|C<3>}	118.3470	0.000	1	118.3470	0.000	1	119.4083	0.660	10	118.7523	1.473	65	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:C-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(CC[6a]HO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(CC[6a]HO){1|H<1>,4|C<3>}	119.7430	0.044	2	119.7430	0.002	2	119.4083	0.660	10	118.7523	1.473	65	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:C-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(CF3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(CF3){1|H<1>,4|C<3>}	118.4130	0.000	1	118.4130	0.000	1	119.4083	0.660	10	118.7523	1.473	65	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:P-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]P)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(PC[6a]2O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]P){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|P<4>,2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(PC[6a]2O){1|H<1>,4|C<3>}	118.8372	0.521	4	118.8372	0.271	4	118.8372	0.271	4	118.7523	1.473	65	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a,6a])(CH3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a,6a])(CH3){1|C<4>,1|N<2>,3|C<3>}	118.7793	0.132	3	118.7793	0.017	3	117.9310	0.545	8	118.7523	1.473	65	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(CF3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(CF3){4|C<3>}	117.3310	0.042	2	117.3310	0.002	2	117.9310	0.545	8	118.7523	1.473	65	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(CHOO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(CHOO){4|C<3>}	117.5380	0.000	1	117.5380	0.000	1	117.9310	0.545	8	118.7523	1.473	65	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(CN[6]HH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(CN[6]HH){4|C<3>}	117.8350	0.000	1	117.4550	0.289	2	117.9310	0.545	8	118.7523	1.473	65	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(CN[6]HH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(CN[6]HH){4|C<3>}	117.0750	0.000	1	117.4550	0.289	2	117.9310	0.545	8	118.7523	1.473	65	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C[5]-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[5]C[5]2Fe)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5]){1|Fe<10>,1|H<1>,1|N<2>,2|C<4>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[5]C[5]2Fe){2|C<4>,2|H<1>,4|C<3>}	118.4030	0.000	1	118.4030	0.000	1	118.4030	0.000	1	118.7523	1.473	65	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:P[5]-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]P[5])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]P[5])(N[6a]C[6a,6a])(P[5]C[5]2Rh)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]P[5]){1|Rh<4>,1|H<1>,1|N<2>,1|P<4>,2|C<3>,2|C<4>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|P<4>,2|C<3>,2|H<1>}	C[6a](C[6a]N[6a]P[5])(N[6a]C[6a,6a])(P[5]C[5]2Rh){2|H<1>,4|C<3>,4|C<4>}	114.8010	1.369	2	114.8010	1.874	2	114.8010	1.874	2	118.7523	1.473	65	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[5a,6a]-3:N[6a]-2:C-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]C)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]2)(N[6a]C[6a,6a])(CF3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]C){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]2)(N[6a]C[6a,6a])(CF3){5|C<3>}	118.8460	0.000	1	118.8460	0.000	1	119.5900	0.415	3	118.7523	1.473	65	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[5a,6a]-3:N[6a]-2:C-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]C)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a,6a])(CH3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]C){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a,6a])(CH3){1|N<2>,4|C<3>}	119.9620	0.017	2	119.9620	0.000	2	119.5900	0.415	3	118.7523	1.473	65	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-3:N[6a]-2:C-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a,6a])(CCHO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a,6a])(CCHO){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	119.0610	0.806	2	119.0610	0.650	2	118.4306	0.459	9	118.7523	1.473	65	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-3:N[6a]-2:C-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a]N[3])(N[6a]C[6a,6a])(CCCH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](N[6a]C[6a]N[3])(N[6a]C[6a,6a])(CCCH){1|O<1>,2|C<3>,2|C<4>}	118.5330	0.000	1	118.5330	0.000	1	118.4306	0.459	9	118.7523	1.473	65	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-3:N[6a]-2:C-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a]N[3])(N[6a]C[6a,6a])(CCHH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](N[6a]C[6a]N[3])(N[6a]C[6a,6a])(CCHH){1|O<1>,2|C<3>,2|C<4>}	118.5595	0.484	2	118.5595	0.235	2	118.4306	0.459	9	118.7523	1.473	65	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-3:N[6a]-2:C-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a]N[3])(N[6a]C[6a,6a])(CCHO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](N[6a]C[6a]N[3])(N[6a]C[6a,6a])(CCHO){1|O<1>,2|C<3>,2|C<4>}	118.2870	0.000	1	118.2870	0.000	1	118.4306	0.459	9	118.7523	1.473	65	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-3:N[6a]-2:C-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a]N[3])(N[6a]C[6a,6a])(CF3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](N[6a]C[6a]N[3])(N[6a]C[6a,6a])(CF3){1|O<1>,2|C<3>,2|C<4>}	117.0420	0.000	1	117.0420	0.000	1	118.4306	0.459	9	118.7523	1.473	65	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-3:N[6a]-2:C-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a]N[6])(N[6a]C[6a,6a])(CH3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](N[6a]C[6a]N[6])(N[6a]C[6a,6a])(CH3){1|O<1>,4|C<3>}	118.3860	0.000	2	118.3860	0.000	2	118.4306	0.459	9	118.7523	1.473	65	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:C-4:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]C)	C[6a,6a](C[6a,6a]C[6a,6a]2)(N[6a]C[6a,6a]H)(N[6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(CCHH)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]C){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]2)(N[6a]C[6a,6a]H)(N[6a]C[6a]){1|C<4>,1|N<2>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(CCHH){1|H<1>,1|N<3>,3|C<3>}	119.2735	0.117	2	119.2735	0.014	2	119.2735	0.014	2	118.7523	1.473	65	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a,6a]-3:C[6a]-3:	C[3x6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]N[6a])	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a]C)(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]N[6a]){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<3>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a]C)(N[6a]C[6a,6a]){1|H<1>,5|C<3>}	117.7780	0.000	1	117.7780	0.000	1	117.4400	0.228	2	117.9005	0.388	43	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a,6a]-3:C[6a]-3:	C[3x6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]N[6a])	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a]H)(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]N[6a]){1|N<2>,2|H<1>,4|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<3>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a]H)(N[6a]C[6a,6a]){1|H<1>,5|C<3>}	117.1020	0.000	1	117.1020	0.000	1	117.4400	0.228	2	117.9005	0.388	43	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])2(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2){2|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a]){1|H<1>,1|N<3>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])2(N[6a]C[6a,6a]){1|H<1>,1|N<2>,5|C<3>}	117.1495	0.548	2	117.1495	0.300	2	117.1495	0.300	2	117.9005	0.388	43	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[5a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[5a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[5a]N[6a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[5a]C[6a]){1|N<2>,1|O<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[5a]N[6a])(N[6a]C[6a,6a]){1|H<1>,1|O<2>,5|C<3>}	117.7380	0.000	1	117.7380	0.000	1	118.6400	0.613	3	117.9005	0.388	43	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[5a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[5a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[5a]N[6a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[5a]C[6a]){1|N<2>,1|S<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[5a]N[6a])(N[6a]C[6a,6a]){1|H<1>,1|S<2>,5|C<3>}	119.0910	0.076	2	119.0910	0.006	2	118.6400	0.613	3	117.9005	0.388	43	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(N[6a]C[6a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[5a]N[6a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a]){1|H<1>,1|N<2>,1|S<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(N[6a]C[6a]){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[5a]N[6a])(N[6a]C[6a,6a]){1|H<1>,1|S<2>,5|C<3>}	118.3718	0.306	5	118.3718	0.094	5	118.3331	0.081	7	117.9005	0.388	43	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[5a]N[6a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a]){1|H<1>,1|N<2>,1|S<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,1|H<1>,3|C<3>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[5a]N[6a])(N[6a]C[6a,6a]){1|H<1>,1|S<2>,5|C<3>}	118.2365	0.293	2	118.2365	0.086	2	118.3331	0.081	7	117.9005	0.388	43	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6,6a]-3:C[5a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]C[5a])	C[6a,6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6,6a]C[6,6a]C[6])(C[5a]C[5a]O[5a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]C[5a]){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[5a]C[5a]O[5a])(N[6a]C[6a,6a]){2|C<4>,3|H<1>,4|C<3>}	118.9590	0.000	1	118.9590	0.000	1	118.9590	0.000	1	117.9005	0.388	43	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5a]C[6a])(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])2(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){2|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5a]C[6a])(N[6a]C[6a]){1|H<1>,1|S<2>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])2(N[6a]C[6a,6a]){1|Pd<4>,2|N<2>,4|C<3>}	118.1990	0.132	2	118.1990	0.017	2	117.7382	0.299	26	117.9005	0.388	43	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])2(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,2|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(N[6a]C[6a]){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])2(N[6a]C[6a,6a]){1|H<1>,1|N<2>,5|C<3>}	118.2625	0.107	4	118.2625	0.012	4	117.7382	0.299	26	117.9005	0.388	43	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])2(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){2|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[6a])2(N[6a]C[6a,6a]){1|Cl<1>,2|N<2>,4|C<3>}	118.2270	0.185	5	118.2195	0.028	6	117.7382	0.299	26	117.9005	0.388	43	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])2(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){2|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[6a])2(N[6a]C[6a,6a]){1|Pd<4>,2|N<2>,4|C<3>}	118.1820	0.000	1	118.2195	0.028	6	117.7382	0.299	26	117.9005	0.388	43	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])2(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,2|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])2(N[6a]C[6a,6a]){1|H<1>,1|N<2>,5|C<3>}	117.0360	0.154	2	117.2458	0.058	10	117.7382	0.299	26	117.9005	0.388	43	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])2(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,2|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])2(N[6a]C[6a,6a]){1|H<1>,1|N<2>,5|C<3>}	117.3960	0.180	6	117.2458	0.058	10	117.7382	0.299	26	117.9005	0.388	43	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])2(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,2|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])2(N[6a]C[6a,6a]){1|H<1>,1|N<2>,5|C<3>}	116.9770	0.000	1	117.2458	0.058	10	117.7382	0.299	26	117.9005	0.388	43	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])2(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,2|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])2(N[6a]C[6a,6a]){1|H<1>,1|N<2>,5|C<3>}	117.0330	0.000	1	117.2458	0.058	10	117.7382	0.299	26	117.9005	0.388	43	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])2(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|N<3>,2|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N)(N[6a]C[6a]){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])2(N[6a]C[6a,6a]){1|H<1>,1|N<2>,5|C<3>}	117.0180	0.499	2	117.0180	0.249	2	117.7382	0.299	26	117.9005	0.388	43	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]O)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])2(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|O<2>,2|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]O)(N[6a]C[6a]){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])2(N[6a]C[6a,6a]){1|H<1>,1|N<2>,5|C<3>}	117.9670	0.147	2	117.9670	0.022	2	117.7382	0.299	26	117.9005	0.388	43	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[5a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[5a])	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C[6])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[5a]){1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|C<3>,3|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C[6])(N[6a]C[6a,6a]){2|H<1>,6|C<3>}	118.0700	0.453	2	118.0700	0.205	2	118.0700	0.205	2	117.9005	0.388	43	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:4:2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6]-4:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6]C[6]N[6]H)(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6]){1|C<4>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6]C[6]N[6]H)(N[6a]C[6a,6a]){1|N<3>,2|H<1>,6|C<3>}	117.6730	0.000	1	117.6730	0.000	1	117.6730	0.000	1	117.6730	0.000	1	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	4:2:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C-4:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](CC[5x3,5x5,20x6]HO)(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|C<3>,3|H<1>}	C[6a](CC[5x3,5x5,20x6]HO)(N[6a]C[6a,6a])(C[6a]C[6a]H){1|H<1>,2|C<3>}	118.1427	0.123	3	118.1427	0.015	3	118.1427	0.015	3	118.1150	0.179	6	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	4:2:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[3x6]-4:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[3x6]C[6a])	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	C[6a](C[3x6]C[6,6]3)(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[3x6]C[6a]){1|H<1>,1|N<3>,3|C<3>,3|C<4>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[3x6]C[6,6]3)(N[6a]C[6a,6a])(C[6a]C[6a]H){2|C<3>,3|C<4>,7|H<1>}	118.8020	0.000	1	118.8020	0.000	1	118.8020	0.000	1	118.1150	0.179	6	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	4:2:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[5]-4:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[5]C[5]N[5]H)(N[6a]C[6a,6a])(C[6a]N[6a]N)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5]){1|C<4>,1|N<2>,2|C<3>,2|H<1>,2|N<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5]H)(N[6a]C[6a,6a])(C[6a]N[6a]N){1|H<1>,1|N<2>,5|C<3>}	117.5160	0.000	1	117.5160	0.000	1	117.5160	0.000	1	118.1150	0.179	6	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	4:2:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6]-4:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	C[6a](C[6]N[5,6]N[6]H)(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6]){1|O<2>,2|H<1>,2|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6]N[5,6]N[6]H)(N[6a]C[6a,6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	117.9440	0.000	1	117.9440	0.000	1	117.9440	0.000	1	118.1150	0.179	6	117.3139	1.390	4174	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6,6a]	3:3:	2:3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:N[6a]-2:	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]2)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6]Rh)(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]2){1|Rh<4>,1|H<1>,5|C<3>}	C[6a](N[6a]C[6,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|Cl<1>,1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6]Rh)(N[6a]C[6a]){1|H<1>,1|N<3>,4|C<3>}	118.4200	0.000	1	118.4200	0.000	1	118.4040	0.710	11	118.4040	0.710	11	117.9278	1.604	39	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6,6a]	3:3:	2:3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:N[6a]-2:	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]2)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6]Ir)(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]2){1|Ir<6>,1|H<1>,5|C<3>}	C[6a](N[6a]C[6,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6]Ir)(N[6a]C[6a]){3|C<3>,3|H<1>}	119.0200	0.011	2	118.7223	0.266	3	118.4040	0.710	11	118.4040	0.710	11	117.9278	1.604	39	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6,6a]	3:3:	2:3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:N[6a]-2:	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]2)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6]Ir)(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]2){1|Ir<6>,1|H<1>,5|C<3>}	C[6a](N[6a]C[6,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6]Ir)(N[6a]C[6a]){3|C<3>,3|H<1>}	118.1270	0.000	1	118.7223	0.266	3	118.4040	0.710	11	118.4040	0.710	11	117.9278	1.604	39	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6,6a]	3:3:	2:3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:N[6a]-2:	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]2)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6]Pd)(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]2){1|Pd<4>,1|H<1>,5|C<3>}	C[6a](N[6a]C[6,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6]Pd)(N[6a]C[6a]){3|C<3>,3|H<1>}	117.0150	0.257	2	117.0150	0.066	2	118.4040	0.710	11	118.4040	0.710	11	117.9278	1.604	39	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6,6a]	3:3:	2:3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:N[6a]-2:	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]2)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6]Rh)(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]2){1|Rh<5>,1|H<1>,5|C<3>}	C[6a](N[6a]C[6,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6]Rh)(N[6a]C[6a]){3|C<3>,3|H<1>}	119.7820	0.000	1	119.7820	0.000	1	118.4040	0.710	11	118.4040	0.710	11	117.9278	1.604	39	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6,6a]	3:3:	2:3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:N[6a]-2:	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]2)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6]Ru)(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]2){1|Ru<6>,1|H<1>,5|C<3>}	C[6a](N[6a]C[6,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6]Ru)(N[6a]C[6a]){3|C<3>,3|H<1>}	118.3965	0.370	2	118.5113	0.132	4	118.4040	0.710	11	118.4040	0.710	11	117.9278	1.604	39	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6,6a]	3:3:	2:3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:N[6a]-2:	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]2)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6]Ru)(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]2){1|Ru<6>,1|H<1>,5|C<3>}	C[6a](N[6a]C[6,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6]Ru)(N[6a]C[6a]){3|C<3>,3|H<1>}	118.6260	0.454	2	118.5113	0.132	4	118.4040	0.710	11	118.4040	0.710	11	117.9278	1.604	39	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6,6a]	3:3:	2:4:3:	3:2:3:	C[6,6a]-3:C[6a]-3:	N[6a]-2:C[5]-4:C[6a]-3:	C[6,6a]-3:N[6a]-2:N[6]-3:	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C[5])	C[6a](N[6a]C[6,6a])(C[5]C[5]2Fe)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]H)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C[5]){1|Fe<10>,2|C<4>,2|H<1>,3|C<3>}	C[6a](N[6a]C[6,6a])(C[5]C[5]2Fe)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	116.4378	0.262	9	116.4378	0.069	9	116.4378	0.069	9	116.4378	0.069	9	117.9278	1.604	39	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6,6a]	3:3:	2:4:3:	3:3:2:	C[6,6a]-3:C[6a]-3:	N[6a]-2:C[5]-4:C[6a]-3:	C[6,6a]-3:N[6]-3:N[6a]-2:	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C[5])	C[6a](N[6a]C[6,6a])(C[5]C[5]2Fe)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6]Fe)(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C[5]){1|Fe<10>,1|Fe<4>,1|H<1>,2|C<4>,3|C<3>}	C[6a](N[6a]C[6,6a])(C[5]C[5]2Fe)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6]Fe)(N[6a]C[6a]){1|C<4>,2|C<3>,3|H<1>}	117.3495	0.026	2	117.8597	0.781	3	117.9532	0.371	6	117.9532	0.371	6	117.9278	1.604	39	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6,6a]	3:3:	2:4:3:	3:3:2:	C[6,6a]-3:C[6a]-3:	N[6a]-2:C[5]-4:C[6a]-3:	C[6,6a]-3:N[6]-3:N[6a]-2:	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C[5])	C[6a](N[6a]C[6,6a])(C[5]C[5]2Fe)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6]Fe)(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C[5]){1|Fe<10>,1|Fe<6>,1|H<1>,2|C<4>,3|C<3>}	C[6a](N[6a]C[6,6a])(C[5]C[5]2Fe)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6]Fe)(N[6a]C[6a]){1|C<4>,2|C<3>,3|H<1>}	118.8800	0.000	1	117.8597	0.781	3	117.9532	0.371	6	117.9532	0.371	6	117.9278	1.604	39	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6,6a]	3:3:	2:4:3:	3:3:2:	C[6,6a]-3:C[6a]-3:	N[6a]-2:C[5]-4:C[6a]-3:	C[6,6a]-3:N[6]-3:N[6a]-2:	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C[5])	C[6a](N[6a]C[6,6a])(C[5]C[5]2Fe)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6]Pd)(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C[5]){1|Fe<10>,1|Pd<4>,1|H<1>,2|C<4>,3|C<3>}	C[6a](N[6a]C[6,6a])(C[5]C[5]2Fe)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6]Pd)(N[6a]C[6a]){1|C<4>,2|C<3>,3|H<1>}	117.9660	0.000	1	117.9660	0.000	1	117.9532	0.371	6	117.9532	0.371	6	117.9278	1.604	39	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6,6a]	3:3:	2:4:3:	3:3:2:	C[6,6a]-3:C[6a]-3:	N[6a]-2:C[5]-4:C[6a]-3:	C[6,6a]-3:N[6]-3:N[6a]-2:	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C[5])	C[6a](N[6a]C[6,6a])(C[5]C[5]2Fe)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6]Zn)(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C[5]){1|Fe<10>,1|Zn<4>,1|H<1>,2|C<4>,3|C<3>}	C[6a](N[6a]C[6,6a])(C[5]C[5]2Fe)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6]Zn)(N[6a]C[6a]){1|C<4>,2|C<3>,3|H<1>}	118.0870	0.479	2	118.0870	0.230	2	117.9532	0.371	6	117.9532	0.371	6	117.9278	1.604	39	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6,6a]	3:3:	3:2:1:	3:2:3:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6a]-2:H-1:	N[6,6a]-3:N[6a]-2:C[6]-3:	N[6a](C[6,6a]N[6,6a]C[6])(C[6a]C[6,6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6,6a])(H)	C[6,6a](N[6,6a]C[6,6a]C[6])(N[6a]C[6a])(C[6]C[6]H)	N[6a](C[6,6a]N[6,6a]C[6])(C[6a]C[6,6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6,6a])(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](N[6,6a]C[6,6a]C[6])(N[6a]C[6a])(C[6]C[6]H){3|C<3>,3|H<1>}	117.4120	0.000	1	117.4120	0.000	1	117.4120	0.000	1	117.4120	0.000	1	117.9278	1.604	39	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6,6a]	3:3:	3:2:3:	3:2:2:	C[6,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6,6a]-3:N[6a]-2:O[6]-2:	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6,6a])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(N[6a]C[6a])(O[6]C[6])	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]C[6a]){1|C<4>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6,6a])(C[6a]C[6a]2){1|O<2>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(N[6a]C[6a])(O[6]C[6]){2|H<1>,5|C<3>}	118.3280	0.000	1	118.3280	0.000	1	118.3280	0.000	1	117.8495	0.458	2	117.9278	1.604	39	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6,6a]	3:3:	3:2:3:	3:2:2:	C[6,6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C[5]-3:	C[6,6a]-3:N[6a]-2:C[6]-2:	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C[5])	C[6a](C[6a]N[6a]C[5])(N[6a]C[6,6a])(C[5]N[5]2)	C[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6a])(C[6]C[6])	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C[5]){1|N<2>,2|N<3>,3|C<3>}	C[6a](C[6a]N[6a]C[5])(N[6a]C[6,6a])(C[5]N[5]2){1|Pt<4>,1|C<2>,1|C<4>,2|N<3>,3|C<3>}	C[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6a])(C[6]C[6]){1|C<2>,2|C<3>,2|H<1>}	117.3710	0.000	1	117.3710	0.000	1	117.3710	0.000	1	117.8495	0.458	2	117.9278	1.604	39	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6,6a]	3:3:	3:2:3:	3:2:3:	C[6,6a]-3:C[6a]-3:	C[5a]-3:N[6a]-2:C[6a]-3:	C[6,6a]-3:N[6a]-2:N[6]-3:	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[5a]C[6a])	C[6a](C[5a]C[5a]N[5a])(N[6a]C[6,6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]H)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[5a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(N[6a]C[6,6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]H){2|H<1>,4|C<3>}	118.2820	0.000	1	118.2820	0.000	1	118.2820	0.000	1	117.6765	0.733	2	117.9278	1.604	39	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6,6a]	3:3:	3:2:3:	3:2:3:	C[6,6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C[5]-3:	C[6,6a]-3:N[6a]-2:C[6]-3:	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C[5])	C[6a](C[6a]N[6a]C[5])(N[6a]C[6,6a])(C[5]N[5]2)	C[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6a])(C[6]C[6]H)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C[5]){1|C<3>,1|H<1>,1|N<2>,2|C<2>,2|N<3>}	C[6a](C[6a]N[6a]C[5])(N[6a]C[6,6a])(C[5]N[5]2){1|Pt<4>,1|C<4>,2|N<3>,4|C<3>}	C[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6a])(C[6]C[6]H){3|C<3>}	117.0710	0.000	1	117.0710	0.000	1	117.0710	0.000	1	117.6765	0.733	2	117.9278	1.604	39	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6,6a]	3:3:	3:2:3:	3:3:2:	C[6,6a]-3:C[6a]-3:	C[5a]-3:N[6a]-2:C[6a]-3:	C[6,6a]-3:N[6]-3:N[6a]-2:	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[5a]C[6a])	C[6a](C[5a]C[5a]N[5a])(N[6a]C[6,6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6]Pd)(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[5a]C[6a]){1|Pd<4>,1|H<1>,1|N<3>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(N[6a]C[6,6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6]Pd)(N[6a]C[6a]){3|C<3>,3|H<1>}	117.1785	1.136	2	117.1785	1.291	2	117.1785	1.291	2	117.1785	1.291	2	117.9278	1.604	39	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6,6a]	3:3:	3:2:3:	3:4:2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6a]-2:C[5]-3:	C[6,6a]-3:C[6]-4:N[6a]-2:	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]C[5])	C[6a](C[6,6a]C[6,6a]2)(N[6a]C[6,6a])(C[5]C[5]2)	C[6,6a](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]C[5]){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]2)(N[6a]C[6,6a])(C[5]C[5]2){1|H<1>,2|C<4>,2|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(N[6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	118.3870	0.000	1	118.3870	0.000	1	118.3870	0.000	1	119.7210	1.469	5	117.9278	1.604	39	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6,6a]	3:3:	3:2:3:	3:4:2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6a]-2:C[5a]-3:	C[6,6a]-3:C[6]-4:N[6a]-2:	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]C[5a])	C[6a](C[6,6a]C[6,6a]2)(N[6a]C[6,6a])(C[5a]C[5a]2)	C[6,6a](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]C[5a]){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]2)(N[6a]C[6,6a])(C[5a]C[5a]2){1|H<1>,1|N<2>,1|N<3>,2|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(N[6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	118.4750	0.000	1	118.4750	0.000	1	118.4750	0.000	1	119.7210	1.469	5	117.9278	1.604	39	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6,6a]	3:3:	3:2:3:	3:4:2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6a]-2:C[6a]-3:	C[6,6a]-3:C[6]-4:N[6a]-2:	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]2)(N[6a]C[6,6a])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]C[6a]){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]2)(N[6a]C[6,6a])(C[6a]C[6a]2){1|H<1>,1|O<2>,2|C<4>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(N[6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	120.5810	0.404	3	120.5810	0.163	3	120.5810	0.163	3	119.7210	1.469	5	117.9278	1.604	39	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6,6a]	3:3:	3:3:2:	3:4:2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5a]-3:N[6a]-2:	C[6,6a]-3:C[6]-4:N[6a]-2:	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]C[5a])	C[6a](C[6,6a]C[6,6a]C[6,6])(C[5a]C[5a]S[5a])(N[6a]C[6,6a])	C[6,6a](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]C[5a]){1|C<4>,1|S<2>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[5a]C[5a]S[5a])(N[6a]C[6,6a]){1|H<1>,2|C<4>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(N[6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	119.6570	0.000	1	119.6570	0.000	1	119.6570	0.000	1	119.6570	0.000	1	117.9278	1.604	39	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a,6a]	3:3:	2:2:3:	3:2:2:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:C[6a]-3:	C[3x6a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])2(C[6a]C[6a]2)	C[6a,6a](C[3x6a]C[6a,6a]2)(N[6a]C[6a])2	N[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a]N[6a]){5|C<3>}	C[6a](N[6a]C[6a,6a])2(C[6a]C[6a]2){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]2)(N[6a]C[6a])2{1|N<3>,2|C<3>,3|N<2>}	116.2660	0.000	1	116.2660	0.000	1	116.2660	0.000	1	116.2660	0.000	1	118.1571	1.232	321	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a,6a]	3:3:	2:3:1:	3:2:2:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a])2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H){1|N<2>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(H){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a])2{2|H<1>,3|C<3>}	116.1000	0.000	1	116.1000	0.000	1	117.0724	0.232	38	117.0724	0.232	38	118.1571	1.232	321	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a,6a]	3:3:	2:3:1:	3:2:2:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]Br)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a])2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H){1|Br<1>,1|N<2>,2|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|N<2>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a])2{2|H<1>,3|C<3>}	117.1110	0.000	1	117.1110	0.000	1	117.0724	0.232	38	117.0724	0.232	38	118.1571	1.232	321	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a,6a]	3:3:	2:3:1:	3:2:2:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H){1|H<1>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2{2|C<3>,4|H<1>}	117.3154	0.283	25	117.2601	0.098	28	117.0724	0.232	38	117.0724	0.232	38	118.1571	1.232	321	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a,6a]	3:3:	2:3:1:	3:2:2:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H){1|H<1>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2{3|C<3>,3|H<1>}	116.7993	0.071	3	117.2601	0.098	28	117.0724	0.232	38	117.0724	0.232	38	118.1571	1.232	321	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a,6a]	3:3:	2:3:1:	3:2:2:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a])2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,2|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a])2{2|H<1>,3|C<3>}	116.5325	0.489	8	116.5325	0.239	8	117.0724	0.232	38	117.0724	0.232	38	118.1571	1.232	321	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a,6a]	3:3:	2:3:2:	3:2:2:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:N-2:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NC[5])	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N){1|H<1>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NC[5]){1|C<3>,1|H<1>,1|N<2>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2{2|C<3>,2|H<1>,2|N<2>}	118.1210	0.054	2	118.1210	0.003	2	118.1210	0.003	2	116.8582	0.547	11	118.1571	1.232	321	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a,6a]	3:3:	2:3:2:	3:2:2:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[6a]){5|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]){2|C<3>,2|N<2>,3|H<1>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2{1|N<2>,2|C<3>,3|H<1>}	116.9540	0.000	1	116.9540	0.000	1	116.9540	0.000	1	116.8582	0.547	11	118.1571	1.232	321	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a,6a]	3:3:	2:3:2:	3:2:2:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:O-2:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(OC[6a])	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O){1|H<1>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(OC[6a]){1|C<3>,1|H<1>,1|N<2>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2{2|C<3>,2|H<1>,2|O<2>}	116.5305	0.449	8	116.5305	0.202	8	116.5305	0.202	8	116.8582	0.547	11	118.1571	1.232	321	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a,6a]	3:3:	2:3:3:	3:2:2:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCN)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C){1|H<1>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCN){1|C<3>,1|H<1>,1|N<2>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2{2|H<1>,4|C<3>}	117.5630	0.069	2	117.5630	0.005	2	117.2071	0.244	7	117.5901	0.407	28	118.1571	1.232	321	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a,6a]	3:3:	2:3:3:	3:2:2:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CC[6a]C[6])	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C){1|H<1>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CC[6a]C[6]){1|C<3>,1|H<1>,1|N<2>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2{1|H<1>,2|C<4>,3|C<3>}	117.9700	0.000	1	117.9700	0.000	1	117.2071	0.244	7	117.5901	0.407	28	118.1571	1.232	321	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a,6a]	3:3:	2:3:3:	3:2:2:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(COO)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C){1|H<1>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(COO){1|C<3>,1|H<1>,1|N<2>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2{2|H<1>,4|C<3>}	116.8385	0.161	4	116.8385	0.026	4	117.2071	0.244	7	117.5901	0.407	28	118.1571	1.232	321	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a,6a]	3:3:	2:3:3:	3:2:2:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]N[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a])2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2){1|H<1>,1|N<2>,4|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]N[6a]H){1|N<2>,2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a])2{2|H<1>,3|C<3>}	116.9310	0.000	1	116.9310	0.000	1	116.9310	0.000	1	117.5901	0.407	28	118.1571	1.232	321	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a,6a]	3:3:	2:3:3:	3:2:2:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:N-3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NCH)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N){1|H<1>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|N<2>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2{2|C<3>,2|H<1>,2|N<3>}	117.6965	0.309	4	117.6965	0.096	4	117.6796	0.075	7	117.5901	0.407	28	118.1571	1.232	321	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a,6a]	3:3:	2:3:3:	3:2:2:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:N-3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NC[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N){1|H<1>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NC[6a]H){1|C<3>,1|H<1>,1|N<2>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2{1|N<3>,2|C<3>,3|H<1>}	117.6665	0.400	2	117.6665	0.160	2	117.6796	0.075	7	117.5901	0.407	28	118.1571	1.232	321	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a,6a]	3:3:	2:3:3:	3:2:2:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:N-3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NHH)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N){1|H<1>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NHH){1|C<3>,1|H<1>,1|N<2>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2{2|C<3>,2|H<1>,2|N<3>}	117.6380	0.000	1	117.6380	0.000	1	117.6796	0.075	7	117.5901	0.407	28	118.1571	1.232	321	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a,6a]	3:3:	2:3:3:	3:2:2:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:N[5]-3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[5])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(N[5]C[5]2)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[5]){1|H<1>,2|C<4>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(N[5]C[5]2){1|C<3>,1|N<2>,2|C<4>,5|H<1>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2{1|H<1>,1|N<3>,2|C<3>,2|C<4>}	117.9010	0.216	2	117.6882	0.165	6	117.6882	0.165	6	117.5901	0.407	28	118.1571	1.232	321	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a,6a]	3:3:	2:3:3:	3:2:2:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:N[5]-3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[5])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(N[5]C[5]2)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[5]){1|H<1>,5|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(N[5]C[5]2){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2{1|H<1>,1|N<3>,2|C<3>,2|C<4>}	117.1950	0.000	1	117.6882	0.165	6	117.6882	0.165	6	117.5901	0.407	28	118.1571	1.232	321	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a,6a]	3:3:	2:3:3:	3:2:2:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:N[5]-3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[5])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(N[5]C[5]2)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[5]){1|H<1>,5|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(N[5]C[5]2){1|Pd<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2{1|H<1>,1|N<3>,2|C<3>,2|C<4>}	117.4420	0.095	2	117.6882	0.165	6	117.6882	0.165	6	117.5901	0.407	28	118.1571	1.232	321	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a,6a]	3:3:	2:3:3:	3:2:2:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:N[5]-3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[5])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(N[5]C[5]2)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[5]){1|H<1>,5|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(N[5]C[5]2){1|Rh<6>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2{1|H<1>,1|N<3>,2|C<3>,2|C<4>}	118.2480	0.000	1	117.6882	0.165	6	117.6882	0.165	6	117.5901	0.407	28	118.1571	1.232	321	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a,6a]	3:3:	2:3:3:	3:2:2:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:N[6]-3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[6])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]F)(N[6]C[6]2)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[6]){1|F<1>,2|C<4>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]F)(N[6]C[6]2){1|C<3>,1|N<2>,2|C<4>,5|H<1>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2{1|N<3>,1|O<2>,2|C<3>,2|H<1>}	119.9830	0.000	1	119.9830	0.000	1	119.9830	0.000	1	117.5901	0.407	28	118.1571	1.232	321	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a,6a]	3:3:	2:3:3:	3:2:2:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:N[6a]-3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[6a]){1|H<1>,5|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]H){1|Cl<1>,1|H<1>,1|N<2>,1|O<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(N[6a]C[6a]){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	117.3190	0.000	1	117.3190	0.000	1	117.3190	0.000	1	117.5901	0.407	28	118.1571	1.232	321	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a,6a]	3:3:	2:3:3:	3:2:2:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:N[6]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[6])	C[6a](N[6a]C[6a,6a])(N[6]C[6,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[6]){1|H<1>,5|C<3>}	C[6a](N[6a]C[6a,6a])(N[6]C[6,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2{2|C<3>,2|H<1>,2|N<3>}	117.5908	0.469	5	117.5908	0.220	5	117.5908	0.220	5	117.5901	0.407	28	118.1571	1.232	321	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a,6a]	3:3:	2:3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[5a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])	C[6a](N[6a]C[6a,6a])(C[5a]C[5a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a]){2|H<1>,5|C<3>}	C[6a](N[6a]C[6a,6a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	118.1730	0.000	1	118.1730	0.000	1	118.4822	2.656	5	118.1634	0.806	31	118.1571	1.232	321	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a,6a]	3:3:	2:3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[5a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])	C[6a](N[6a]C[6a,6a])(C[5a]C[5a]2)(C[6a]N[6a]O)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a]){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6a](N[6a]C[6a,6a])(C[5a]C[5a]2)(C[6a]N[6a]O){1|N<2>,1|N<3>,1|O<2>,2|C<3>,2|C<4>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	120.1575	0.202	2	120.1575	0.041	2	118.4822	2.656	5	118.1634	0.806	31	118.1571	1.232	321	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a,6a]	3:3:	2:3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[5a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])	C[6a](N[6a]C[6a,6a])(C[5a]N[5a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a]){2|H<1>,2|N<2>,3|C<3>}	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>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	116.9615	0.501	2	116.9615	0.251	2	118.4822	2.656	5	118.1634	0.806	31	118.1571	1.232	321	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a,6a]	3:3:	2:3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:C[5]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(C[5]C[5]2)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5]){2|H<1>,5|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(C[5]C[5]2){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	118.2730	0.000	1	118.2730	0.000	1	117.8570	0.234	3	118.1634	0.806	31	118.1571	1.232	321	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a,6a]	3:3:	2:3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:C[5]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(C[5]N[5]2)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5]){2|H<1>,2|N<3>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(C[5]N[5]2){1|In<5>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	117.6490	0.457	2	117.6490	0.209	2	117.8570	0.234	3	118.1634	0.806	31	118.1571	1.232	321	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a,6a]	3:3:	2:3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|C<4>,1|H<1>,5|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]C){1|C<4>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	118.1573	0.466	3	118.1573	0.217	3	118.4005	0.374	15	118.1634	0.806	31	118.1571	1.232	321	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a,6a]	3:3:	2:3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	118.1044	0.602	5	118.3835	0.604	8	118.4005	0.374	15	118.1634	0.806	31	118.1571	1.232	321	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a,6a]	3:3:	2:3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	118.1130	0.000	1	118.3835	0.604	8	118.4005	0.374	15	118.1634	0.806	31	118.1571	1.232	321	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a,6a]	3:3:	2:3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,1|O<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	119.8970	0.000	1	118.3835	0.604	8	118.4005	0.374	15	118.1634	0.806	31	118.1571	1.232	321	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a,6a]	3:3:	2:3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	118.5360	0.000	1	118.3835	0.604	8	118.4005	0.374	15	118.1634	0.806	31	118.1571	1.232	321	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a,6a]	3:3:	2:3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]N[6a]N)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]N[6a]N)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){2|C<3>,2|N<3>,3|N<2>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]N[6a]N){2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]N[6a]N)(N[6a]C[6a]){3|C<3>}	118.6810	0.281	3	118.6810	0.079	3	118.4005	0.374	15	118.1634	0.806	31	118.1571	1.232	321	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a,6a]	3:3:	2:3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]Br)(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|Br<1>,1|H<1>,5|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]Br)(C[6a]C[6a]2){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	118.4250	0.000	1	118.4250	0.000	1	118.4005	0.374	15	118.1634	0.806	31	118.1571	1.232	321	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a,6a]	3:3:	2:3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:N[5]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[5])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(N[5]C[5]2)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[5]){1|C<4>,2|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(N[5]C[5]2){1|C<4>,1|O<1>,1|S<2>,2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|C<3>,3|H<1>}	118.1630	0.000	1	118.1630	0.000	1	118.1630	0.000	1	118.1634	0.806	31	118.1571	1.232	321	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a,6a]	3:3:	2:3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:N[6]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6]C[6]2)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6]){1|H<1>,2|C<4>,4|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6]C[6]2){1|N<2>,2|C<4>,3|C<3>,5|H<1>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|C<3>,3|H<1>}	119.3050	0.000	1	119.3050	0.000	1	119.3050	0.000	1	118.1634	0.806	31	118.1571	1.232	321	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a,6a]	3:3:	2:3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:N[6]-3:	N[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]N[6])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(N[6]C[6]2)	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	N[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]N[6]){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	117.2260	0.096	5	117.2260	0.009	5	117.2260	0.009	5	118.1634	0.806	31	118.1571	1.232	321	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a,6a]	3:3:	2:3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:N[5]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[5])	C[6a](N[6a]C[6a,6a])(N[5]C[5]N[5])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[5]){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6a](N[6a]C[6a,6a])(N[5]C[5]N[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|C<3>,3|H<1>}	117.4760	0.000	1	117.4760	0.000	1	117.4760	0.000	1	118.1634	0.806	31	118.1571	1.232	321	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a,6a]	3:3:	2:3:4:	3:2:2:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CC[6a]2H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C){1|H<1>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CC[6a]2H){1|C<3>,1|H<1>,1|N<2>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2{2|C<3>,2|C<4>,2|H<1>}	117.8685	0.098	2	117.8685	0.010	2	117.9258	0.103	6	117.9258	0.103	6	118.1571	1.232	321	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a,6a]	3:3:	2:3:4:	3:2:2:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCl3)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C){1|H<1>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCl3){1|C<3>,1|H<1>,1|N<2>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2{2|C<3>,2|C<4>,2|H<1>}	117.6830	0.000	1	117.6830	0.000	1	117.9258	0.103	6	117.9258	0.103	6	118.1571	1.232	321	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a,6a]	3:3:	2:3:4:	3:2:2:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C){1|H<1>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|N<2>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2{1|H<1>,2|C<4>,3|C<3>}	117.5360	0.000	1	118.0450	0.198	3	117.9258	0.103	6	117.9258	0.103	6	118.1571	1.232	321	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a,6a]	3:3:	2:3:4:	3:2:2:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C){1|H<1>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,1|N<2>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2{2|C<3>,2|C<4>,2|H<1>}	118.2995	0.091	2	118.0450	0.198	3	117.9258	0.103	6	117.9258	0.103	6	118.1571	1.232	321	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a,6a]	3:3:	2:3:4:	3:3:2:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:C[5]-4:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(C[5]C[5]2H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5]){2|C<4>,3|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(C[5]C[5]2H){1|N<3>,1|O<2>,3|C<3>,4|H<1>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|C<3>,3|H<1>}	117.7460	0.000	1	117.7460	0.000	1	117.7460	0.000	1	117.6125	0.036	2	118.1571	1.232	321	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a,6a]	3:3:	2:3:4:	3:3:2:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:C[6]-4:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(C[6]N[6]2H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6]){1|O<2>,2|H<1>,2|N<3>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(C[6]N[6]2H){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){1|C<4>,2|C<3>,3|H<1>}	117.4790	0.000	1	117.4790	0.000	1	117.4790	0.000	1	117.6125	0.036	2	118.1571	1.232	321	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a,6a]	3:3:	2:4:3:	3:2:2:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[5]-4:C[6a]-3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C[5])	C[6a](N[6a]C[6a,6a])(C[5]C[5]2Fe)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C[5]){1|Fe<10>,1|H<1>,2|C<4>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[5]C[5]2Fe)(C[6a]C[6a]H){1|C<3>,1|N<2>,2|C<4>,3|H<1>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2{1|C<4>,2|C<3>,3|H<1>}	117.9370	0.000	1	117.9370	0.000	1	117.9370	0.000	1	117.9370	0.000	1	118.1571	1.232	321	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a,6a]	3:3:	2:4:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[5]-4:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])	C[6a](N[6a]C[6a,6a])(C[5]C[5]2Fe)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5]){1|Fe<10>,2|C<4>,2|H<1>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[5]C[5]2Fe)(C[6a]C[6a]H){1|P<4>,2|C<3>,2|C<4>,2|H<1>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|C<3>,3|H<1>}	118.7150	0.762	2	118.7150	0.581	2	118.7150	0.581	2	118.7150	0.581	2	118.1571	1.232	321	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a,6a]	3:3:	3:2:1:	3:2:2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(H)	C[6a,6a](C[6a,6a]C[6a,6a]2)(N[6a]C[6a])2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]H){4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(H){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]2)(N[6a]C[6a])2{2|H<1>,4|C<3>}	117.4965	0.173	2	117.4965	0.030	2	117.4965	0.030	2	117.4965	0.030	2	118.1571	1.232	321	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a,6a]	3:3:	3:2:1:	3:3:2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a,6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a,6a]H){5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(N[6a]C[6a]){3|H<1>,5|C<3>}	117.2220	0.000	1	117.7045	0.466	2	117.7045	0.466	2	117.4413	0.441	3	118.1571	1.232	321	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a,6a]	3:3:	3:2:1:	3:3:2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a,6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a,6a]H){5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(H){1|O<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(N[6a]C[6a]){3|H<1>,5|C<3>}	118.1870	0.000	1	117.7045	0.466	2	117.7045	0.466	2	117.4413	0.441	3	118.1571	1.232	321	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a,6a]	3:3:	3:2:1:	3:3:2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a,6a])(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a,6a])(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	116.9150	0.000	1	116.9150	0.000	1	116.9150	0.000	1	117.4413	0.441	3	118.1571	1.232	321	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a,6a]	3:3:	3:2:2:	3:3:2:	C[6a,6a]-3:C[6a]-3:	C[5a]-3:N[6a]-2:O[6a]-2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]O[6a])	C[6a](C[5a]C[5a,6a]C[5a])(N[6a]C[6a,6a])(O[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]O[6a]){1|H<1>,5|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(N[6a]C[6a,6a])(O[6a]C[6a]){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	117.6510	0.000	1	117.6510	0.000	1	117.6510	0.000	1	117.6510	0.000	1	118.1571	1.232	321	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a,6a]	3:3:	3:2:3:	3:2:2:	C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(N[6a]C[6a])2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[5a,6a]C[6a]){1|N<3>,5|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a])(C[6a]C[6a]2){1|N<2>,3|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(N[6a]C[6a])2{1|H<1>,1|N<2>,1|N<3>,3|C<3>}	118.1230	0.240	2	118.1230	0.058	2	118.1230	0.058	2	117.8655	0.607	23	118.1571	1.232	321	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a,6a]	3:3:	3:2:3:	3:2:2:	C[6a,6a]-3:C[6a]-3:	C[5a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[5a]C[6a])	C[6a](C[5a]C[5a]N[5a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[5a]C[6a]){1|H<1>,1|N<3>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2{2|H<1>,4|C<3>}	118.4870	0.314	2	118.4870	0.099	2	118.4870	0.099	2	117.8655	0.607	23	118.1571	1.232	321	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a,6a]	3:3:	3:2:3:	3:2:2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:N-3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]N)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(NHH)	C[6a,6a](C[6a,6a]C[6a,6a]2)(N[6a]C[6a])2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]N){4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(NHH){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]2)(N[6a]C[6a])2{1|C<4>,1|N<3>,4|C<3>}	118.7825	0.043	2	118.7825	0.002	2	118.7825	0.002	2	117.8655	0.607	23	118.1571	1.232	321	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a,6a]	3:3:	3:2:3:	3:2:2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C[6a]-3:	C[3x6a]-3:N[6a]-2:O[6a]-2:	N[6a](C[6a,6a]C[3x6a]O[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2)	C[6a,6a](C[3x6a]C[6a,6a]2)(N[6a]C[6a])(O[6a]C[6a])	N[6a](C[6a,6a]C[3x6a]O[6a])(C[6a]C[6a]2){6|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2){1|O<2>,2|H<1>,6|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]2)(N[6a]C[6a])(O[6a]C[6a]){6|C<3>}	118.7440	0.000	1	118.7440	0.000	1	118.7440	0.000	1	117.8655	0.607	23	118.1571	1.232	321	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a,6a]	3:3:	3:2:3:	3:2:2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C[6a]-3:	C[3x6a]-3:N[6a]-2:S[6a]-2:	N[6a](C[6a,6a]C[3x6a]S[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2)	C[6a,6a](C[3x6a]C[6a,6a]2)(N[6a]C[6a])(S[6a]C[6a])	N[6a](C[6a,6a]C[3x6a]S[6a])(C[6a]C[6a]2){6|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2){1|S<2>,2|H<1>,6|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]2)(N[6a]C[6a])(S[6a]C[6a]){6|C<3>}	115.6870	0.000	1	115.6870	0.000	1	115.6870	0.000	1	117.8655	0.607	23	118.1571	1.232	321	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a,6a]	3:3:	3:2:3:	3:2:2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a])2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2){1|N<2>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a])2{2|H<1>,3|C<3>}	117.6863	0.667	4	117.6863	0.445	4	117.7348	0.357	14	117.8655	0.607	23	118.1571	1.232	321	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a,6a]	3:3:	3:2:3:	3:2:2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a,6a])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2){2|N<2>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a,6a])(N[6a]C[6a]){1|N<2>,3|C<3>}	117.9222	0.462	5	117.9222	0.213	5	117.7348	0.357	14	117.8655	0.607	23	118.1571	1.232	321	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a,6a]	3:3:	3:2:3:	3:2:2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a])2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2){2|N<2>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a])2{1|C<2>,3|C<3>}	116.7905	0.204	2	116.7905	0.042	2	117.7348	0.357	14	117.8655	0.607	23	118.1571	1.232	321	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a,6a]	3:3:	3:2:3:	3:2:2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2){1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2{3|C<3>,3|H<1>}	118.1167	0.048	3	118.1167	0.002	3	117.7348	0.357	14	117.8655	0.607	23	118.1571	1.232	321	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a,6a]	3:3:	3:2:3:	3:2:2:	C[6a,6a]-3:C[6a]-3:	N[6a]-3:N[6a]-2:C[6a]-3:	C[3x6a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6a,6a])(C[6a]C[6a]2)	C[6a,6a](C[3x6a]C[6a,6a]2)(N[6a]C[6a])2	N[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a]N[6a]){1|H<1>,5|C<3>}	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6a,6a])(C[6a]C[6a]2){2|H<1>,2|N<2>,3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]2)(N[6a]C[6a])2{1|N<3>,2|C<3>,3|N<2>}	117.4040	0.000	1	117.4040	0.000	1	117.4040	0.000	1	117.8655	0.607	23	118.1571	1.232	321	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a,6a]	3:3:	3:2:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]C[6a]){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a])(C[6a]C[6a]2){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|H<1>,3|C<3>}	118.8600	0.000	1	119.8347	0.728	9	119.7847	0.672	10	118.4161	0.960	90	118.1571	1.232	321	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a,6a]	3:3:	3:2:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]C[6a]){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a])(C[6a]C[6a]2){1|N<3>,1|O<2>,3|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	118.6750	0.000	1	119.8347	0.728	9	119.7847	0.672	10	118.4161	0.960	90	118.1571	1.232	321	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a,6a]	3:3:	3:2:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]C[6a]){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a])(C[6a]C[6a]2){1|N<3>,4|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|Cl<1>,4|C<3>}	119.1230	0.000	1	119.8347	0.728	9	119.7847	0.672	10	118.4161	0.960	90	118.1571	1.232	321	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a,6a]	3:3:	3:2:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]C[6a]){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a])(C[6a]C[6a]2){1|O<2>,4|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	121.1830	0.000	1	119.8347	0.728	9	119.7847	0.672	10	118.4161	0.960	90	118.1571	1.232	321	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a,6a]	3:3:	3:2:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]C[6a]){1|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a])(C[6a]C[6a]2){1|Cl<1>,1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	119.4670	0.000	1	119.8347	0.728	9	119.7847	0.672	10	118.4161	0.960	90	118.1571	1.232	321	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a,6a]	3:3:	3:2:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]C[6a]){1|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a])(C[6a]C[6a]2){1|N<2>,1|N<3>,2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	120.2450	0.000	1	119.8347	0.728	9	119.7847	0.672	10	118.4161	0.960	90	118.1571	1.232	321	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a,6a]	3:3:	3:2:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]C[6a]){1|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a])(C[6a]C[6a]2){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	120.1415	0.091	2	119.8347	0.728	9	119.7847	0.672	10	118.4161	0.960	90	118.1571	1.232	321	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a,6a]	3:3:	3:2:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]C[6a]){1|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a])(C[6a]C[6a]2){1|N<3>,1|S<1>,2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	120.6760	0.000	1	119.8347	0.728	9	119.7847	0.672	10	118.4161	0.960	90	118.1571	1.232	321	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a,6a]	3:3:	3:2:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(N[6a]C[6a,6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]C[6a]){1|H<1>,1|S<2>,5|C<3>}	C[6a](C[5,6a]C[5,6a]S[5])(N[6a]C[6a,6a])(C[6a]C[6a]2){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	119.3350	0.000	1	119.3350	0.000	1	119.7847	0.672	10	118.4161	0.960	90	118.1571	1.232	321	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a,6a]	3:3:	3:2:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(N[6a]C[6a,6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C[6a]){1|H<1>,1|N<3>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(N[6a]C[6a,6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|H<1>,3|C<3>}	119.4480	0.000	1	118.3985	2.203	2	118.8573	2.194	7	118.4161	0.960	90	118.1571	1.232	321	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a,6a]	3:3:	3:2:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(N[6a]C[6a,6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C[6a]){1|H<1>,1|N<3>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(N[6a]C[6a,6a])(C[6a]C[6a]2){2|H<1>,7|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	117.3490	0.000	1	118.3985	2.203	2	118.8573	2.194	7	118.4161	0.960	90	118.1571	1.232	321	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a,6a]	3:3:	3:2:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]F)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C[6a]){1|F<1>,1|N<2>,5|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>}	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]F)(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	120.6610	0.000	1	120.6610	0.000	1	118.8573	2.194	7	118.4161	0.960	90	118.1571	1.232	321	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a,6a]	3:3:	3:2:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C[6a]){1|H<1>,1|N<3>,5|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>,3|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	119.9315	0.480	2	119.9315	0.231	2	118.8573	2.194	7	118.4161	0.960	90	118.1571	1.232	321	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a,6a]	3:3:	3:2:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C[6a]){1|H<1>,1|N<3>,5|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a])(C[6a]C[6a]2){1|C<4>,2|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	117.6060	0.000	1	117.3400	0.142	2	118.8573	2.194	7	118.4161	0.960	90	118.1571	1.232	321	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a,6a]	3:3:	3:2:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C[6a]){1|H<1>,1|N<3>,5|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a])(C[6a]C[6a]2){1|Cl<1>,2|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	117.0740	0.000	1	117.3400	0.142	2	118.8573	2.194	7	118.4161	0.960	90	118.1571	1.232	321	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a,6a]	3:3:	3:2:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:N[6]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]N[6])	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a,6a])(N[6]C[6]2)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]N[6]){1|H<1>,2|C<4>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a,6a])(N[6]C[6]2){1|N<3>,2|C<4>,4|C<3>,4|H<1>}	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,2|H<1>,2|N<3>}	118.7350	0.000	1	118.7350	0.000	1	118.7350	0.000	1	118.4161	0.960	90	118.1571	1.232	321	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a,6a]	3:3:	3:2:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:	C[5a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])	C[6a](C[5a]C[5a,6]C[5a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a]){2|H<1>,5|C<3>}	C[6a](C[5a]C[5a,6]C[5a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	118.2070	0.000	1	118.2070	0.000	1	118.3268	0.490	17	118.4161	0.960	90	118.1571	1.232	321	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a,6a]	3:3:	3:2:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:	C[5a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])	C[6a](C[5a]C[5a,6a]C[5a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a]){2|H<1>,5|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	117.4670	0.000	1	117.9590	0.484	2	118.3268	0.490	17	118.4161	0.960	90	118.1571	1.232	321	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a,6a]	3:3:	3:2:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:	C[5a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])	C[6a](C[5a]C[5a,6a]C[5a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a]){2|H<1>,5|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	118.4510	0.000	1	117.9590	0.484	2	118.3268	0.490	17	118.4161	0.960	90	118.1571	1.232	321	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a,6a]	3:3:	3:2:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:	C[5a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])	C[6a](C[5a]C[5a,6a]C[5a])(N[6a]C[6a,6a])(C[6a]N[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a]){1|C<2>,1|H<1>,1|N<2>,4|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(N[6a]C[6a,6a])(C[6a]N[6a]C){1|H<1>,1|N<3>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(N[6a]C[6a]){1|H<1>,4|C<3>}	118.4770	0.000	1	118.4770	0.000	1	118.3268	0.490	17	118.4161	0.960	90	118.1571	1.232	321	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a,6a]	3:3:	3:2:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:	C[5a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])	C[6a](C[5a]C[5a,6a]C[5a])(N[6a]C[6a,6a])(C[6a]N[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a]){1|C<2>,1|H<1>,1|N<2>,4|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(N[6a]C[6a,6a])(C[6a]N[6a]C){1|H<1>,1|N<3>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	118.7260	0.000	1	118.7755	0.005	2	118.3268	0.490	17	118.4161	0.960	90	118.1571	1.232	321	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a,6a]	3:3:	3:2:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:	C[5a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])	C[6a](C[5a]C[5a,6a]C[5a])(N[6a]C[6a,6a])(C[6a]N[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a]){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(N[6a]C[6a,6a])(C[6a]N[6a]C){1|H<1>,1|N<3>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	118.8250	0.000	1	118.7755	0.005	2	118.3268	0.490	17	118.4161	0.960	90	118.1571	1.232	321	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a,6a]	3:3:	3:2:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:	C[5a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])	C[6a](C[5a]C[5a,6a]C[5a])(N[6a]C[6a,6a])(C[6a]N[6a]O)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a]){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(N[6a]C[6a,6a])(C[6a]N[6a]O){1|H<1>,1|N<3>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	120.0420	0.000	1	120.0420	0.000	1	118.3268	0.490	17	118.4161	0.960	90	118.1571	1.232	321	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a,6a]	3:3:	3:2:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:	C[5a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])	C[6a](C[5a]C[5a]N[5a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a]){1|N<2>,2|H<1>,4|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>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	117.9350	0.000	1	117.9350	0.000	1	118.3268	0.490	17	118.4161	0.960	90	118.1571	1.232	321	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a,6a]	3:3:	3:2:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:	C[5a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])	C[6a](C[5a]C[5a]O[5a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a]){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6a](C[5a]C[5a]O[5a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){3|C<3>,3|H<1>}	118.3130	0.000	1	118.3130	0.000	1	118.3268	0.490	17	118.4161	0.960	90	118.1571	1.232	321	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a,6a]	3:3:	3:2:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:	C[5a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])	C[6a](C[5a]C[5a]S[5a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a]){1|S<2>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]S[5a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|H<1>,1|I<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	118.8660	0.000	1	118.5057	0.137	3	118.3268	0.490	17	118.4161	0.960	90	118.1571	1.232	321	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a,6a]	3:3:	3:2:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:	C[5a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])	C[6a](C[5a]C[5a]S[5a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a]){1|S<2>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]S[5a])(N[6a]C[6a,6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	118.3255	0.281	2	118.5057	0.137	3	118.3268	0.490	17	118.4161	0.960	90	118.1571	1.232	321	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a,6a]	3:3:	3:2:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:	C[5a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])	C[6a](C[5a]C[5a]S[5a])(N[6a]C[6a,6a])(C[6a]N[6a]O)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a]){1|H<1>,1|N<3>,1|O<1>,1|S<2>,3|C<3>}	C[6a](C[5a]C[5a]S[5a])(N[6a]C[6a,6a])(C[6a]N[6a]O){1|C<4>,1|H<1>,1|S<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	119.1680	0.000	1	119.1680	0.000	1	118.3268	0.490	17	118.4161	0.960	90	118.1571	1.232	321	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a,6a]	3:3:	3:2:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:	C[5a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])	C[6a](C[5a]N[5a]O[5a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a]){1|N<2>,1|O<2>,2|H<1>,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>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	117.4250	0.000	1	117.4250	0.000	1	118.3268	0.490	17	118.4161	0.960	90	118.1571	1.232	321	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a,6a]	3:3:	3:2:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:	C[5a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])	C[6a](C[5a]N[5a]S[5a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a]){1|H<1>,1|N<2>,1|O<2>,1|S<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>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){3|C<3>,3|H<1>}	117.6673	0.422	3	117.6673	0.178	3	118.3268	0.490	17	118.4161	0.960	90	118.1571	1.232	321	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a,6a]	3:3:	3:2:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:	C[5a]-3:N[6a]-2:N[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]N[6a])	C[6a](C[5a]C[5a]N[5a])(N[6a]C[6a,6a])(N[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]N[6a]){1|N<2>,2|H<1>,4|C<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>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	117.2470	0.000	1	117.2470	0.000	1	117.2470	0.000	1	118.4161	0.960	90	118.1571	1.232	321	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a,6a]	3:3:	3:2:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:	C[6,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]C[6a]){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a])(C[6a]C[6a]2){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	118.2970	0.000	1	118.3400	0.004	2	118.3400	0.004	2	118.4161	0.960	90	118.1571	1.232	321	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a,6a]	3:3:	3:2:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:	C[6,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]C[6a]){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a])(C[6a]C[6a]2){1|C<4>,1|S<2>,4|C<3>,4|H<1>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	118.3830	0.000	1	118.3400	0.004	2	118.3400	0.004	2	118.4161	0.960	90	118.1571	1.232	321	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a,6a]	3:3:	3:2:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a]){1|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2){1|Cl<1>,1|H<1>,1|N<2>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|H<1>,3|C<3>}	119.0150	0.000	1	119.0150	0.000	1	119.0150	0.000	1	118.4161	0.960	90	118.1571	1.232	321	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a,6a]	3:3:	3:2:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:N[5a,6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a,6a]C[6a]){7|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2){1|Cl<1>,1|N<3>,2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]2)(N[6a]C[6a]){1|H<1>,1|N<2>,6|C<3>}	117.4510	0.000	1	117.4510	0.000	1	117.4510	0.000	1	118.4161	0.960	90	118.1571	1.232	321	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a,6a]	3:3:	3:2:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C[5]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a,6a])(C[5]C[5]N[5])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5]){1|H<1>,2|N<2>,4|C<3>}	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a,6a])(C[5]C[5]N[5]){1|H<1>,1|N<3>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	119.6873	0.384	3	119.6873	0.147	3	119.6873	0.147	3	118.4161	0.960	90	118.1571	1.232	321	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a,6a]	3:3:	3:2:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C[5a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a,6a])(C[5a]C[5a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5,6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a]){1|H<1>,1|N<3>,5|C<3>}	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a,6a])(C[5a]C[5a]2){1|C<4>,1|S<2>,2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5,6a]H)(N[6a]C[6a]){1|S<2>,2|H<1>,3|C<3>}	119.1250	0.000	1	119.1250	0.000	1	117.9138	0.409	6	118.4161	0.960	90	118.1571	1.232	321	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a,6a]	3:3:	3:2:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C[5a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a,6a])(C[5a]C[5a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a]){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a,6a])(C[5a]C[5a]2){1|S<2>,2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	117.8200	0.204	2	117.8200	0.041	2	117.9138	0.409	6	118.4161	0.960	90	118.1571	1.232	321	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a,6a]	3:3:	3:2:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C[5a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a,6a])(C[5a]N[5a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a]){1|H<1>,1|N<3>,2|N<2>,3|C<3>}	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>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	117.4200	0.173	2	117.4200	0.030	2	117.9138	0.409	6	118.4161	0.960	90	118.1571	1.232	321	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a,6a]	3:3:	3:2:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C[5a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[5a]C[5a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a]){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[5a]C[5a]2){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	117.8780	0.000	1	117.8780	0.000	1	117.9138	0.409	6	118.4161	0.960	90	118.1571	1.232	321	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a,6a]	3:3:	3:2:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C[6]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])	C[6a](C[6a]N[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]N[6])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Cl)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6]){1|Cl<1>,1|N<2>,1|N<3>,4|C<3>}	C[6a](C[6a]N[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]N[6]){1|Zn<4>,1|H<1>,1|N<3>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Cl)(N[6a]C[6a]){1|H<1>,1|N<3>,3|C<3>}	117.9980	0.000	1	117.9980	0.000	1	117.7029	0.247	8	118.4161	0.960	90	118.1571	1.232	321	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a,6a]	3:3:	3:2:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C[6]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])	C[6a](C[6a]N[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]N[6])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6]){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[6a](C[6a]N[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]N[6]){1|Pt<4>,1|H<1>,1|N<3>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,3|C<3>}	117.6090	0.233	2	117.4803	0.053	6	117.7029	0.247	8	118.4161	0.960	90	118.1571	1.232	321	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a,6a]	3:3:	3:2:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C[6]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])	C[6a](C[6a]N[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]N[6])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6]){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[6a](C[6a]N[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]N[6]){1|Zn<4>,1|H<1>,1|N<3>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|O<2>,3|C<3>}	117.4160	0.231	4	117.4803	0.053	6	117.7029	0.247	8	118.4161	0.960	90	118.1571	1.232	321	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a,6a]	3:3:	3:2:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C[6]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])	C[6a](C[6a]N[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]N[6])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6]){1|N<2>,2|N<3>,4|C<3>}	C[6a](C[6a]N[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]N[6]){1|Zn<4>,1|H<1>,1|N<3>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N)(N[6a]C[6a]){2|Cl<1>,3|C<3>}	118.7430	0.000	1	118.7430	0.000	1	117.7029	0.247	8	118.4161	0.960	90	118.1571	1.232	321	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a,6a]	3:3:	3:2:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	117.5470	0.000	1	117.5470	0.000	1	118.0887	0.490	32	118.4161	0.960	90	118.1571	1.232	321	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a,6a]	3:3:	3:2:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|N<2>,6|C<3>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2){1|C<4>,1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|H<1>,6|C<3>}	119.4375	0.333	4	119.4375	0.111	4	118.0887	0.490	32	118.4161	0.960	90	118.1571	1.232	321	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a,6a]	3:3:	3:2:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2){1|Cl<1>,1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	117.7430	0.000	1	117.9212	0.344	5	118.0887	0.490	32	118.4161	0.960	90	118.1571	1.232	321	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a,6a]	3:3:	3:2:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2){1|H<1>,1|O<2>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	117.9657	0.668	4	117.9212	0.344	5	118.0887	0.490	32	118.4161	0.960	90	118.1571	1.232	321	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a,6a]	3:3:	3:2:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,2|N<2>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,3|C<3>}	117.7193	0.148	3	117.6400	0.040	4	118.0887	0.490	32	118.4161	0.960	90	118.1571	1.232	321	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a,6a]	3:3:	3:2:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,2|N<2>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){4|C<3>}	117.4020	0.000	1	117.6400	0.040	4	118.0887	0.490	32	118.4161	0.960	90	118.1571	1.232	321	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a,6a]	3:3:	3:2:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	118.2610	0.025	2	118.1102	0.165	14	118.0887	0.490	32	118.4161	0.960	90	118.1571	1.232	321	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a,6a]	3:3:	3:2:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	118.3720	0.000	1	118.1102	0.165	14	118.0887	0.490	32	118.4161	0.960	90	118.1571	1.232	321	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a,6a]	3:3:	3:2:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	117.9350	0.502	7	118.1102	0.165	14	118.0887	0.490	32	118.4161	0.960	90	118.1571	1.232	321	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a,6a]	3:3:	3:2:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	118.2760	0.254	4	118.1102	0.165	14	118.0887	0.490	32	118.4161	0.960	90	118.1571	1.232	321	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a,6a]	3:3:	3:2:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]N[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){2|H<1>,2|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]N[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	116.6420	0.000	1	116.6420	0.000	1	118.0887	0.490	32	118.4161	0.960	90	118.1571	1.232	321	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a,6a]	3:3:	3:2:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]O[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]O[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	117.5510	0.000	1	117.5510	0.000	1	118.0887	0.490	32	118.4161	0.960	90	118.1571	1.232	321	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a,6a]	3:3:	3:2:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]N[6a]C[5])(N[6a]C[6a,6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6a]N[6a]C[5])(N[6a]C[6a,6a])(C[6a]C[6a]2){1|Fe<10>,2|C<4>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	118.1080	0.000	1	118.1080	0.000	1	118.0887	0.490	32	118.4161	0.960	90	118.1571	1.232	321	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a,6a]	3:3:	3:2:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]N[6a]C[6])(N[6a]C[6a,6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6a]N[6a]C[6])(N[6a]C[6a,6a])(C[6a]C[6a]2){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	117.5320	0.000	1	117.5320	0.000	1	118.0887	0.490	32	118.4161	0.960	90	118.1571	1.232	321	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a,6a]	3:3:	3:2:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:	N[5a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]C[6a]){1|H<1>,1|N<2>,5|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(C[6a]C[6a]2){1|C<4>,1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	119.9090	0.000	1	119.9090	0.000	1	119.9090	0.000	1	118.4161	0.960	90	118.1571	1.232	321	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a,6a]	3:3:	3:2:4:	3:2:2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:C-4:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(CCHH)	C[6a,6a](C[6a,6a]C[6a,6a]2)(N[6a]C[6a])2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]C){4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(CCHH){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]2)(N[6a]C[6a])2{1|C<4>,1|N<3>,4|C<3>}	118.9850	0.288	2	118.9850	0.083	2	118.9850	0.083	2	118.9850	0.083	2	118.1571	1.232	321	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a,6a]	3:3:	3:3:2:	3:2:2:	C[6a,6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[5a]C[6a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[5a]N[6a])(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a])2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[5a]C[6a]){1|N<2>,1|N<3>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[5a]N[6a])(N[6a]C[6a,6a]){1|N<2>,1|N<3>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a])2{2|H<1>,3|C<3>}	118.4450	0.000	1	118.4450	0.000	1	118.3270	0.011	3	118.3270	0.011	3	118.1571	1.232	321	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a,6a]	3:3:	3:3:2:	3:2:2:	C[6a,6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[5a]C[6a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[5a]N[6a])(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a])2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[5a]C[6a]){1|N<2>,1|S<2>,4|C<3>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[5a]N[6a])(N[6a]C[6a,6a]){1|H<1>,1|N<2>,1|S<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a])2{2|H<1>,3|C<3>}	118.2680	0.034	2	118.2680	0.001	2	118.3270	0.011	3	118.3270	0.011	3	118.1571	1.232	321	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a,6a]	3:3:	3:3:2:	3:3:2:	C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a,6a]C[5a])(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C[5a]){1|H<1>,1|N<3>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a,6a]C[5a])(N[6a]C[6a,6a]){1|N<3>,2|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	119.8210	0.000	1	119.8210	0.000	1	119.8210	0.000	1	119.1149	1.472	62	118.1571	1.232	321	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a,6a]	3:3:	3:3:2:	3:3:2:	C[6a,6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[5a]N[6a])(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a]){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[5a]N[6a])(N[6a]C[6a,6a]){1|Au<4>,1|H<1>,1|N<3>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	120.4254	1.184	8	119.9070	1.088	29	119.4580	1.364	43	119.1149	1.472	62	118.1571	1.232	321	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a,6a]	3:3:	3:3:2:	3:3:2:	C[6a,6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[5a]N[6a])(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a]){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[5a]N[6a])(N[6a]C[6a,6a]){1|Cu<4>,1|H<1>,1|N<3>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	120.1317	0.206	4	119.9070	1.088	29	119.4580	1.364	43	119.1149	1.472	62	118.1571	1.232	321	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a,6a]	3:3:	3:3:2:	3:3:2:	C[6a,6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[5a]N[6a])(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a]){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[5a]N[6a])(N[6a]C[6a,6a]){1|N<3>,2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	118.6567	0.732	7	119.9070	1.088	29	119.4580	1.364	43	119.1149	1.472	62	118.1571	1.232	321	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a,6a]	3:3:	3:3:2:	3:3:2:	C[6a,6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[5a]N[6a])(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a]){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[5a]N[6a])(N[6a]C[6a,6a]){1|Ni<4>,1|H<1>,1|N<3>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	120.2775	0.543	10	119.9070	1.088	29	119.4580	1.364	43	119.1149	1.472	62	118.1571	1.232	321	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a,6a]	3:3:	3:3:2:	3:3:2:	C[6a,6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[5a]N[6a])(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a]){1|H<1>,1|N<3>,2|N<2>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[5a]N[6a])(N[6a]C[6a,6a]){1|N<3>,2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,3|C<3>}	118.5750	0.000	1	118.5750	0.000	1	119.4580	1.364	43	119.1149	1.472	62	118.1571	1.232	321	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a,6a]	3:3:	3:3:2:	3:3:2:	C[6a,6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])	C[6a](C[5a]C[5a]N[5a])(C[6a]N[6a]C[5])(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a]){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]N[6a]C[5])(N[6a]C[6a,6a]){1|N<2>,2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	119.9247	0.075	3	119.9247	0.006	3	119.4580	1.364	43	119.1149	1.472	62	118.1571	1.232	321	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a,6a]	3:3:	3:3:2:	3:3:2:	C[6a,6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[5a]N[6a])(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a]){1|H<1>,1|N<2>,1|S<2>,4|C<3>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[5a]N[6a])(N[6a]C[6a,6a]){1|H<1>,1|S<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<3>,3|C<3>}	118.3220	0.583	2	118.1366	0.169	7	119.4580	1.364	43	119.1149	1.472	62	118.1571	1.232	321	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a,6a]	3:3:	3:3:2:	3:3:2:	C[6a,6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[5a]N[6a])(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a]){1|H<1>,1|N<2>,1|S<2>,4|C<3>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[5a]N[6a])(N[6a]C[6a,6a]){1|H<1>,1|S<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	118.0624	0.381	5	118.1366	0.169	7	119.4580	1.364	43	119.1149	1.472	62	118.1571	1.232	321	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a,6a]	3:3:	3:3:2:	3:3:2:	C[6a,6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[5a]N[6a])(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a]){1|N<2>,1|N<3>,1|S<2>,4|C<3>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[5a]N[6a])(N[6a]C[6a,6a]){1|H<1>,1|S<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N)(N[6a]C[6a]){2|H<1>,3|C<3>}	118.1380	0.000	1	118.1380	0.000	1	119.4580	1.364	43	119.1149	1.472	62	118.1571	1.232	321	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a,6a]	3:3:	3:3:2:	3:3:2:	C[6a,6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[5a]N[6a])(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a]){1|H<1>,1|S<2>,2|N<2>,3|C<3>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[5a]N[6a])(N[6a]C[6a,6a]){1|H<1>,1|S<2>,5|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|Br<1>,3|C<3>}	118.2460	0.000	1	117.9750	0.147	2	119.4580	1.364	43	119.1149	1.472	62	118.1571	1.232	321	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a,6a]	3:3:	3:3:2:	3:3:2:	C[6a,6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[5a]N[6a])(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a]){1|H<1>,1|S<2>,2|N<2>,3|C<3>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[5a]N[6a])(N[6a]C[6a,6a]){1|H<1>,1|S<2>,5|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,3|C<3>}	117.7040	0.000	1	117.9750	0.147	2	119.4580	1.364	43	119.1149	1.472	62	118.1571	1.232	321	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a,6a]	3:3:	3:3:2:	3:3:2:	C[6a,6a]-3:C[6a]-3:	C[6,6a]-3:C[5a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]C[5a])	C[6a](C[6,6a]C[6,6a]C[6])(C[5a]C[5a]S[5a])(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]C[5a]){1|H<1>,1|S<2>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[5a]C[5a]S[5a])(N[6a]C[6a,6a]){1|C<4>,1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,1|C<4>,1|H<1>,3|C<3>}	118.9760	0.000	1	118.9760	0.000	1	118.9760	0.000	1	119.1149	1.472	62	118.1571	1.232	321	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a,6a]	3:3:	3:3:2:	3:3:2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[5a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]C[5a])(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[5a]){1|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]C[5a])(N[6a]C[6a,6a]){1|N<3>,2|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	120.1240	0.000	1	120.1240	0.000	1	120.1240	0.000	1	119.1149	1.472	62	118.1571	1.232	321	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a,6a]	3:3:	3:3:2:	3:3:2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]C[6])(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6]){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]C[6])(N[6a]C[6a,6a]){1|P<4>,2|H<1>,7|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	118.9250	0.000	1	118.9250	0.000	1	118.9250	0.000	1	119.1149	1.472	62	118.1571	1.232	321	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a,6a]	3:3:	3:3:2:	3:3:2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[3x6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]N[6a])(N[6a]C[6a,6a])	C[6a,6a](C[3x6a]C[5,6a,6a]C[3x6a])(C[6a]C[6a]O)(N[6a]C[6a])	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]C[6a]){1|N<2>,1|O<2>,5|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]N[6a])(N[6a]C[6a,6a]){1|H<1>,1|O<2>,6|C<3>}	C[6a,6a](C[3x6a]C[5,6a,6a]C[3x6a])(C[6a]C[6a]O)(N[6a]C[6a]){1|O<2>,5|C<3>}	119.4740	0.000	1	119.4740	0.000	1	119.5640	0.016	2	119.1149	1.472	62	118.1571	1.232	321	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a,6a]	3:3:	3:3:2:	3:3:2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[3x6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]N[6a])(N[6a]C[6a,6a])	C[6a,6a](C[3x6a]C[5a,6a,6a]C[3x6a])(C[6a]C[6a]O)(N[6a]C[6a])	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]C[6a]){1|N<2>,1|O<2>,5|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]N[6a])(N[6a]C[6a,6a]){1|H<1>,1|O<2>,6|C<3>}	C[6a,6a](C[3x6a]C[5a,6a,6a]C[3x6a])(C[6a]C[6a]O)(N[6a]C[6a]){1|O<2>,5|C<3>}	119.6540	0.000	1	119.6540	0.000	1	119.5640	0.016	2	119.1149	1.472	62	118.1571	1.232	321	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a,6a]	3:3:	3:3:2:	3:3:2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])2(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])2(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]2){3|N<2>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])2(N[6a]C[6a,6a]){1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])2(N[6a]C[6a]){2|N<2>,4|C<3>}	117.7041	0.372	12	117.7041	0.138	12	117.7041	0.138	12	119.1149	1.472	62	118.1571	1.232	321	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a,6a]	3:3:	3:3:2:	3:3:2:	C[6a,6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[5a])	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]C[5])(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[5a]){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]C[5])(N[6a]C[6a,6a]){1|N<2>,2|C<4>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|C<3>,3|H<1>}	119.0050	0.000	1	119.0050	0.000	1	119.0050	0.000	1	119.1149	1.472	62	118.1571	1.232	321	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a,6a]	3:3:	3:4:2:	3:3:2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5]-4:N[6a]-2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[5])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,5]O[5]H)(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[5]){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,5]O[5]H)(N[6a]C[6a,6a]){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	118.6660	0.000	1	118.6660	0.000	1	119.1072	0.132	4	119.1072	0.132	4	118.1571	1.232	321	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a,6a]	3:3:	3:4:2:	3:3:2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5]-4:N[6a]-2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[5])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]N[5]H)(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[5]){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]N[5]H)(N[6a]C[6a,6a]){2|C<4>,3|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	119.1410	0.000	1	119.1410	0.000	1	119.1072	0.132	4	119.1072	0.132	4	118.1571	1.232	321	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a,6a]	3:3:	3:4:2:	3:3:2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5]-4:N[6a]-2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[5])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]O[5]H)(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[5]){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]O[5]H)(N[6a]C[6a,6a]){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	119.3110	0.342	2	119.3110	0.117	2	119.1072	0.132	4	119.1072	0.132	4	118.1571	1.232	321	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a,6a]	3:3:	4:2:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:	C[5,5,6]-4:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,5,6]C[6a])	C[6a](C[5,5,6]C[5,5,6]N[5,6]S[5,5])(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,5,6]C[6a]){1|C<4>,1|N<3>,1|S<2>,2|H<1>,3|C<3>}	C[6a](C[5,5,6]C[5,5,6]N[5,6]S[5,5])(N[6a]C[6a,6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|C<3>,3|H<1>}	118.4510	0.000	1	118.4510	0.000	1	117.7977	0.295	8	117.9056	0.294	10	118.1571	1.232	321	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a,6a]	3:3:	4:2:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:	C[5,5,6]-4:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,5,6]C[6a])	C[6a](C[5,5,6]C[5,6]N[5,6]S[5,5])(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,5,6]C[6a]){1|C<4>,1|N<3>,1|S<2>,2|H<1>,3|C<3>}	C[6a](C[5,5,6]C[5,6]N[5,6]S[5,5])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|C<3>,3|H<1>}	117.5560	0.514	4	117.7044	0.263	7	117.7977	0.295	8	117.9056	0.294	10	118.1571	1.232	321	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a,6a]	3:3:	4:2:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:	C[5,5,6]-4:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,5,6]C[6a])	C[6a](C[5,5,6]C[5,6]N[5,6]S[5,5])(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,5,6]C[6a]){1|C<4>,1|N<3>,1|S<2>,2|H<1>,3|C<3>}	C[6a](C[5,5,6]C[5,6]N[5,6]S[5,5])(N[6a]C[6a,6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|C<3>,3|H<1>}	117.9023	0.538	3	117.7044	0.263	7	117.7977	0.295	8	117.9056	0.294	10	118.1571	1.232	321	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a,6a]	3:3:	4:2:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:	C[5]-4:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])	C[6a](C[5]C[5]O[5]H)(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5]){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5]C[5]O[5]H)(N[6a]C[6a,6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|C<3>,3|H<1>}	118.1000	0.000	1	118.1000	0.000	1	118.1000	0.000	1	117.9056	0.294	10	118.1571	1.232	321	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a,6a]	3:3:	4:2:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:	C[5]-4:N[6a]-2:N[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C[5])	C[6a](C[5]C[5,5]C[5]H)(N[6a]C[6a,6a])(N[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C[5]){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5]C[5,5]C[5]H)(N[6a]C[6a,6a])(N[6a]C[6a]2){1|C<4>,1|H<1>,1|N<3>,1|O<1>,7|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	118.5740	0.000	1	118.5740	0.000	1	118.5740	0.000	1	117.9056	0.294	10	118.1571	1.232	321	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a,6a]	3:3:	6:2:3:	3:3:2:	C[6a]-3:C[6a,6a]-3:	C[5x3,5x5,20x6]-6:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[5x3,5x5,20x6]C[6a])(C[6a,6a]C[6a,6a]C[6a])	C[6a](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5x3,5x5,20x6]C[6a])(C[6a,6a]C[6a,6a]C[6a]){1|C<6>,2|H<1>,3|C<3>,4|B<6>}	C[6a](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(N[6a]C[6a,6a])(C[6a]C[6a]H){2|C<3>,5|B<6>,6|H<1>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<6>,2|C<3>,3|H<1>}	117.3700	0.000	1	117.3700	0.000	1	117.3700	0.000	1	117.3700	0.000	1	118.1571	1.232	321	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:1:	2:2:1:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:Cl-1:	N[6a]-2:N[6a]-2:Cl-1:	N[6a](C[6a]N[6a]Cl)2	C[6a](N[6a]C[6a])2(Cl)	C[6a](N[6a]C[6a])2(Cl)	N[6a](C[6a]N[6a]Cl)2{1|C<3>}	C[6a](N[6a]C[6a])2(Cl){1|Cl<1>,1|C<2>,1|N<2>}	C[6a](N[6a]C[6a])2(Cl){1|Cl<1>,1|C<2>,1|N<2>}	110.8460	0.000	1	112.6157	22.785	25	112.6157	22.785	25	113.1005	22.149	34	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:1:	2:2:1:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:Cl-1:	N[6a]-2:N[6a]-2:Cl-1:	N[6a](C[6a]N[6a]Cl)2	C[6a](N[6a]C[6a])2(Cl)	C[6a](N[6a]C[6a])2(Cl)	N[6a](C[6a]N[6a]Cl)2{1|C<3>}	C[6a](N[6a]C[6a])2(Cl){1|Cl<1>,1|C<3>,1|N<2>}	C[6a](N[6a]C[6a])2(Cl){1|Cl<1>,1|C<3>,1|N<2>}	112.0955	1.212	4	112.6157	22.785	25	112.6157	22.785	25	113.1005	22.149	34	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:1:	2:2:1:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:Cl-1:	N[6a]-2:N[6a]-2:Cl-1:	N[6a](C[6a]N[6a]Cl)2	C[6a](N[6a]C[6a])2(Cl)	C[6a](N[6a]C[6a])2(Cl)	N[6a](C[6a]N[6a]Cl)2{1|C<3>}	C[6a](N[6a]C[6a])2(Cl){1|Cl<1>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(Cl){1|Cl<1>,1|N<2>,1|N<3>}	110.6421	0.413	17	112.6157	22.785	25	112.6157	22.785	25	113.1005	22.149	34	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:1:	2:2:1:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:Cl-1:	N[6a]-2:N[6a]-2:Cl-1:	N[6a](C[6a]N[6a]Cl)2	C[6a](N[6a]C[6a])2(Cl)	C[6a](N[6a]C[6a])2(Cl)	N[6a](C[6a]N[6a]Cl)2{1|C<3>}	C[6a](N[6a]C[6a])2(Cl){2|Cl<1>,1|N<2>}	C[6a](N[6a]C[6a])2(Cl){2|Cl<1>,1|N<2>}	125.0830	1.217	3	112.6157	22.785	25	112.6157	22.785	25	113.1005	22.149	34	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:1:	2:2:1:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:F-1:	N[6a]-2:N[6a]-2:F-1:	N[6a](C[6a]N[6a]F)2	C[6a](N[6a]C[6a])2(F)	C[6a](N[6a]C[6a])2(F)	N[6a](C[6a]N[6a]F)2{1|C<3>}	C[6a](N[6a]C[6a])2(F){1|C<3>,1|F<1>,1|N<2>}	C[6a](N[6a]C[6a])2(F){1|C<3>,1|F<1>,1|N<2>}	109.8960	0.000	1	109.8470	0.005	2	109.8470	0.005	2	113.1005	22.149	34	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:1:	2:2:1:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:F-1:	N[6a]-2:N[6a]-2:F-1:	N[6a](C[6a]N[6a]F)2	C[6a](N[6a]C[6a])2(F)	C[6a](N[6a]C[6a])2(F)	N[6a](C[6a]N[6a]F)2{1|C<3>}	C[6a](N[6a]C[6a])2(F){1|F<1>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(F){1|F<1>,1|N<2>,1|N<3>}	109.7980	0.000	1	109.8470	0.005	2	109.8470	0.005	2	113.1005	22.149	34	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:1:	2:2:1:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:H-1:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]N[6a]H)2	C[6a](N[6a]C[6a])2(H)	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]N[6a]H)2{1|C<3>}	C[6a](N[6a]C[6a])2(H){1|H<1>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(H){1|H<1>,1|N<2>,1|N<3>}	112.9890	0.000	1	114.1970	0.929	6	114.1970	0.929	6	113.1005	22.149	34	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:1:	2:2:1:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:H-1:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]N[6a]H)2	C[6a](N[6a]C[6a])2(H)	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]N[6a]H)2{1|C<3>}	C[6a](N[6a]C[6a])2(H){1|N<2>,2|H<1>}	C[6a](N[6a]C[6a])2(H){1|N<2>,2|H<1>}	114.4386	0.850	5	114.1970	0.929	6	114.1970	0.929	6	113.1005	22.149	34	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:1:	2:2:1:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:S-1:	N[6a]-2:N[6a]-2:S-1:	N[6a](C[6a]N[6a]S)2	C[6a](N[6a]C[6a])2(S)	C[6a](N[6a]C[6a])2(S)	N[6a](C[6a]N[6a]S)2{1|C<3>}	C[6a](N[6a]C[6a])2(S){1|N<2>,1|S<1>,1|S<2>}	C[6a](N[6a]C[6a])2(S){1|N<2>,1|S<1>,1|S<2>}	125.1490	0.000	1	125.1490	0.000	1	125.1490	0.000	1	113.1005	22.149	34	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:1:	2:2:2:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:Cl-1:	N[6a]-2:N[6a]-2:C-2:	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]C)	C[6a](N[6a]C[6a])2(Cl)	C[6a](N[6a]C[6a])2(CC)	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]C){1|C<3>}	C[6a](N[6a]C[6a])2(Cl){1|Cl<1>,1|C<2>,1|N<2>}	C[6a](N[6a]C[6a])2(CC){2|Cl<1>,1|N<2>}	113.8240	0.399	2	113.8240	0.159	2	113.8240	0.159	2	117.0538	15.723	4	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:1:	2:2:2:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:S-1:	N[6a]-2:N[6a]-2:S-2:	N[6a](C[6a]N[6a]S)2	C[6a](N[6a]C[6a])2(S)	C[6a](N[6a]C[6a])2(SAu)	N[6a](C[6a]N[6a]S)2{1|C<3>}	C[6a](N[6a]C[6a])2(S){1|N<2>,1|S<1>,1|S<2>}	C[6a](N[6a]C[6a])2(SAu){1|N<2>,2|S<1>}	120.2835	2.299	2	120.2835	5.285	2	120.2835	5.285	2	117.0538	15.723	4	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:1:	2:2:3:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:Cl-1:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(Cl)	C[6a](N[6a]C[6a])2(NCC)	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N){1|C<3>}	C[6a](N[6a]C[6a])2(Cl){1|Cl<1>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(NCC){2|Cl<1>,1|N<2>}	113.3688	0.238	4	113.3688	0.056	4	113.3442	0.147	24	113.4621	0.548	28	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:1:	2:2:3:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:Cl-1:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(Cl)	C[6a](N[6a]C[6a])2(NCH)	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N){1|C<3>}	C[6a](N[6a]C[6a])2(Cl){1|Cl<1>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(NCH){2|Cl<1>,1|N<2>}	113.3936	0.443	12	113.3936	0.196	12	113.3442	0.147	24	113.4621	0.548	28	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:1:	2:2:3:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:Cl-1:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(Cl)	C[6a](N[6a]C[6a])2(NC[6a]2)	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N){1|C<3>}	C[6a](N[6a]C[6a])2(Cl){1|Cl<1>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(NC[6a]2){2|Cl<1>,1|N<2>}	113.5945	0.036	2	113.5945	0.001	2	113.3442	0.147	24	113.4621	0.548	28	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:1:	2:2:3:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:Cl-1:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(Cl)	C[6a](N[6a]C[6a])2(NC[6a]H)	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N){1|C<3>}	C[6a](N[6a]C[6a])2(Cl){1|Cl<1>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(NC[6a]H){2|Cl<1>,1|N<2>}	113.1455	0.362	6	113.1455	0.131	6	113.3442	0.147	24	113.4621	0.548	28	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:1:	2:2:3:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:F-1:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]N[6a]F)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(F)	C[6a](N[6a]C[6a])2(NC[5a]H)	N[6a](C[6a]N[6a]F)(C[6a]N[6a]N){1|C<3>}	C[6a](N[6a]C[6a])2(F){1|F<1>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(NC[5a]H){1|N<2>,2|F<1>}	112.6730	0.361	2	112.6730	0.130	2	112.6730	0.130	2	113.4621	0.548	28	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:1:	2:2:3:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:H-1:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]N[6a]H)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(H)	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]N[6a]H)(C[6a]N[6a]N){1|C<3>}	C[6a](N[6a]C[6a])2(H){1|H<1>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(NHH){1|N<2>,2|H<1>}	115.6660	0.016	2	115.6660	0.000	2	115.6660	0.000	2	113.4621	0.548	28	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:2:	2:2:1:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:N-2:	N[6a]-2:N[6a]-2:Cl-1:	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(NC)	C[6a](N[6a]C[6a])2(Cl)	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N){1|C<3>}	C[6a](N[6a]C[6a])2(NC){1|Cl<1>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(Cl){1|N<3>,2|N<2>}	111.8320	0.000	1	111.8320	0.000	1	111.8320	0.000	1	111.7703	0.350	77	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:2:	2:2:1:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:O-2:	N[6a]-2:N[6a]-2:Cl-1:	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]O)	C[6a](N[6a]C[6a])2(OC)	C[6a](N[6a]C[6a])2(Cl)	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]O){1|C<3>}	C[6a](N[6a]C[6a])2(OC){1|Cl<1>,1|C<4>,1|N<2>}	C[6a](N[6a]C[6a])2(Cl){1|C<4>,1|N<2>,1|O<2>}	112.3510	0.000	1	111.7887	0.251	16	111.7296	0.323	72	111.7703	0.350	77	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:2:	2:2:1:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:O-2:	N[6a]-2:N[6a]-2:Cl-1:	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]O)	C[6a](N[6a]C[6a])2(OC)	C[6a](N[6a]C[6a])2(Cl)	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]O){1|C<3>}	C[6a](N[6a]C[6a])2(OC){1|Cl<1>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(Cl){1|N<2>,1|N<3>,1|O<2>}	111.5849	0.516	7	111.7887	0.251	16	111.7296	0.323	72	111.7703	0.350	77	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:2:	2:2:1:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:O-2:	N[6a]-2:N[6a]-2:Cl-1:	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]O)	C[6a](N[6a]C[6a])2(OC)	C[6a](N[6a]C[6a])2(Cl)	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]O){1|C<3>}	C[6a](N[6a]C[6a])2(OC){1|Cl<1>,1|N<2>,1|O<2>}	C[6a](N[6a]C[6a])2(Cl){1|N<2>,2|O<2>}	111.8967	0.458	8	111.7887	0.251	16	111.7296	0.323	72	111.7703	0.350	77	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:2:	2:2:1:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:O-2:	N[6a]-2:N[6a]-2:Cl-1:	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]O)	C[6a](N[6a]C[6a])2(OC[6a])	C[6a](N[6a]C[6a])2(Cl)	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]O){1|C<3>}	C[6a](N[6a]C[6a])2(OC[6a]){1|Cl<1>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(Cl){1|N<2>,1|N<3>,1|O<2>}	111.4229	0.620	14	111.7127	0.348	56	111.7296	0.323	72	111.7703	0.350	77	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:2:	2:2:1:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:O-2:	N[6a]-2:N[6a]-2:Cl-1:	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]O)	C[6a](N[6a]C[6a])2(OC[6a])	C[6a](N[6a]C[6a])2(Cl)	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]O){1|C<3>}	C[6a](N[6a]C[6a])2(OC[6a]){1|Cl<1>,1|N<2>,1|O<2>}	C[6a](N[6a]C[6a])2(Cl){1|N<2>,2|O<2>}	111.8093	0.554	42	111.7127	0.348	56	111.7296	0.323	72	111.7703	0.350	77	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:2:	2:2:1:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:S-2:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]N[6a]H)(C[6a]N[6a]S)	C[6a](N[6a]C[6a])2(SC)	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]N[6a]H)(C[6a]N[6a]S){1|C<3>}	C[6a](N[6a]C[6a])2(SC){1|H<1>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(H){1|N<2>,1|N<3>,1|S<2>}	112.6090	0.000	1	112.6090	0.000	1	112.6090	0.000	1	111.7703	0.350	77	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:2:	2:2:1:	C[6a]-3:C[6a]-3:	S-2:N[6a]-2:N[6a]-2:	N[6a]-2:N[6a]-2:Cl-1:	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]S)	C[6a](SB[5x3,5x5,20x6])(N[6a]C[6a])2	C[6a](N[6a]C[6a])2(Cl)	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]S){1|C<3>}	C[6a](SB[5x3,5x5,20x6])(N[6a]C[6a])2{1|Cl<1>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(Cl){1|N<2>,1|N<3>,1|S<2>}	111.5120	0.000	1	112.4477	0.696	3	112.4477	0.696	3	111.7703	0.350	77	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:2:	2:2:1:	C[6a]-3:C[6a]-3:	S-2:N[6a]-2:N[6a]-2:	N[6a]-2:N[6a]-2:Cl-1:	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]S)	C[6a](SB[5x3,5x5,20x6])(N[6a]C[6a])2	C[6a](N[6a]C[6a])2(Cl)	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]S){1|C<3>}	C[6a](SB[5x3,5x5,20x6])(N[6a]C[6a])2{1|Cl<1>,1|N<2>,1|S<2>}	C[6a](N[6a]C[6a])2(Cl){1|N<2>,2|S<2>}	112.9155	0.282	2	112.4477	0.696	3	112.4477	0.696	3	111.7703	0.350	77	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:2:	2:2:2:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:C-2:	N[6a]-2:N[6a]-2:C-2:	N[6a](C[6a]N[6a]C)2	C[6a](N[6a]C[6a])2(CC)	C[6a](N[6a]C[6a])2(CC)	N[6a](C[6a]N[6a]C)2{1|C<3>}	C[6a](N[6a]C[6a])2(CC){1|N<2>,2|C<2>}	C[6a](N[6a]C[6a])2(CC){1|N<2>,2|C<2>}	114.1802	0.161	5	114.1802	0.026	5	112.7780	2.155	56	112.6365	1.524	316	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:2:	2:2:2:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:C-2:	N[6a]-2:N[6a]-2:C-2:	N[6a](C[6a]N[6a]C)2	C[6a](N[6a]C[6a])2(CN)	C[6a](N[6a]C[6a])2(CN)	N[6a](C[6a]N[6a]C)2{1|C<3>}	C[6a](N[6a]C[6a])2(CN){1|N<2>,2|C<2>}	C[6a](N[6a]C[6a])2(CN){1|N<2>,2|C<2>}	112.6405	1.467	51	112.6405	2.152	51	112.7780	2.155	56	112.6365	1.524	316	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:2:	2:2:2:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:N-2:	N[6a]-2:N[6a]-2:N-2:	N[6a](C[6a]N[6a]N)2	C[6a](N[6a]C[6a])2(NC)	C[6a](N[6a]C[6a])2(NC)	N[6a](C[6a]N[6a]N)2{1|C<3>}	C[6a](N[6a]C[6a])2(NC){3|N<2>}	C[6a](N[6a]C[6a])2(NC){3|N<2>}	115.3973	0.554	3	115.3973	0.307	3	115.4082	3.604	17	112.6365	1.524	316	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:2:	2:2:2:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:N-2:	N[6a]-2:N[6a]-2:N-2:	N[6a](C[6a]N[6a]N)2	C[6a](N[6a]C[6a])2(NN)	C[6a](N[6a]C[6a])2(NN)	N[6a](C[6a]N[6a]N)2{1|C<3>}	C[6a](N[6a]C[6a])2(NN){1|N<3>,2|N<2>}	C[6a](N[6a]C[6a])2(NN){1|N<3>,2|N<2>}	112.2620	0.000	1	112.2620	0.000	1	115.4082	3.604	17	112.6365	1.524	316	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:2:	2:2:2:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:N-2:	N[6a]-2:N[6a]-2:N-2:	N[6a](C[6a]N[6a]N)2	C[6a](N[6a]C[6a])2(NP)	C[6a](N[6a]C[6a])2(NP)	N[6a](C[6a]N[6a]N)2{1|C<3>}	C[6a](N[6a]C[6a])2(NP){1|N<3>,2|N<2>}	C[6a](N[6a]C[6a])2(NP){1|N<3>,2|N<2>}	118.6840	0.000	1	115.6528	3.865	13	115.4082	3.604	17	112.6365	1.524	316	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:2:	2:2:2:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:N-2:	N[6a]-2:N[6a]-2:N-2:	N[6a](C[6a]N[6a]N)2	C[6a](N[6a]C[6a])2(NP)	C[6a](N[6a]C[6a])2(NP)	N[6a](C[6a]N[6a]N)2{1|C<3>}	C[6a](N[6a]C[6a])2(NP){3|N<2>}	C[6a](N[6a]C[6a])2(NP){3|N<2>}	115.4002	1.820	12	115.6528	3.865	13	115.4082	3.604	17	112.6365	1.524	316	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:2:	2:2:2:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:O-2:	N[6a]-2:N[6a]-2:O-2:	N[6a](C[6a]N[6a]O)2	C[6a](N[6a]C[6a])2(OC)	C[6a](N[6a]C[6a])2(OC)	N[6a](C[6a]N[6a]O)2{1|C<3>}	C[6a](N[6a]C[6a])2(OC){1|C<3>,1|N<2>,1|O<2>}	C[6a](N[6a]C[6a])2(OC){1|C<3>,1|N<2>,1|O<2>}	113.0240	0.000	1	112.6336	0.229	26	112.1960	0.444	197	112.6365	1.524	316	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:2:	2:2:2:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:O-2:	N[6a]-2:N[6a]-2:O-2:	N[6a](C[6a]N[6a]O)2	C[6a](N[6a]C[6a])2(OC)	C[6a](N[6a]C[6a])2(OC)	N[6a](C[6a]N[6a]O)2{1|C<3>}	C[6a](N[6a]C[6a])2(OC){1|N<2>,1|N<3>,1|O<2>}	C[6a](N[6a]C[6a])2(OC){1|N<2>,1|N<3>,1|O<2>}	112.1026	0.362	7	112.6336	0.229	26	112.1960	0.444	197	112.6365	1.524	316	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:2:	2:2:2:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:O-2:	N[6a]-2:N[6a]-2:O-2:	N[6a](C[6a]N[6a]O)2	C[6a](N[6a]C[6a])2(OC)	C[6a](N[6a]C[6a])2(OC)	N[6a](C[6a]N[6a]O)2{1|C<3>}	C[6a](N[6a]C[6a])2(OC){1|N<2>,2|O<2>}	C[6a](N[6a]C[6a])2(OC){1|N<2>,2|O<2>}	112.8184	0.361	18	112.6336	0.229	26	112.1960	0.444	197	112.6365	1.524	316	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:2:	2:2:2:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:O-2:	N[6a]-2:N[6a]-2:O-2:	N[6a](C[6a]N[6a]O)2	C[6a](N[6a]C[6a])2(OC[6])	C[6a](N[6a]C[6a])2(OC[6])	N[6a](C[6a]N[6a]O)2{1|C<3>}	C[6a](N[6a]C[6a])2(OC[6]){1|N<2>,2|O<2>}	C[6a](N[6a]C[6a])2(OC[6]){1|N<2>,2|O<2>}	112.2898	0.658	9	112.2898	0.432	9	112.1960	0.444	197	112.6365	1.524	316	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:2:	2:2:2:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:O-2:	N[6a]-2:N[6a]-2:O-2:	N[6a](C[6a]N[6a]O)2	C[6a](N[6a]C[6a])2(OC[6a])	C[6a](N[6a]C[6a])2(OC)	N[6a](C[6a]N[6a]O)2{1|C<3>}	C[6a](N[6a]C[6a])2(OC[6a]){1|Cl<1>,1|N<2>,1|O<2>}	C[6a](N[6a]C[6a])2(OC){1|Cl<1>,1|N<2>,1|O<2>}	113.0343	0.329	8	112.4386	0.273	45	112.1960	0.444	197	112.6365	1.524	316	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:2:	2:2:2:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:O-2:	N[6a]-2:N[6a]-2:O-2:	N[6a](C[6a]N[6a]O)2	C[6a](N[6a]C[6a])2(OC[6a])	C[6a](N[6a]C[6a])2(OC)	N[6a](C[6a]N[6a]O)2{1|C<3>}	C[6a](N[6a]C[6a])2(OC[6a]){1|N<2>,2|O<2>}	C[6a](N[6a]C[6a])2(OC){1|N<2>,2|O<2>}	112.3098	0.466	37	112.4386	0.273	45	112.1960	0.444	197	112.6365	1.524	316	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:2:	2:2:2:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:O-2:	N[6a]-2:N[6a]-2:O-2:	N[6a](C[6a]N[6a]O)2	C[6a](N[6a]C[6a])2(OC[6a])	C[6a](N[6a]C[6a])2(OC[6a])	N[6a](C[6a]N[6a]O)2{1|C<3>}	C[6a](N[6a]C[6a])2(OC[6a]){1|C<3>,1|N<2>,1|O<2>}	C[6a](N[6a]C[6a])2(OC[6a]){1|C<3>,1|N<2>,1|O<2>}	112.0949	0.472	14	112.0362	0.453	111	112.1960	0.444	197	112.6365	1.524	316	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:2:	2:2:2:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:O-2:	N[6a]-2:N[6a]-2:O-2:	N[6a](C[6a]N[6a]O)2	C[6a](N[6a]C[6a])2(OC[6a])	C[6a](N[6a]C[6a])2(OC[6a])	N[6a](C[6a]N[6a]O)2{1|C<3>}	C[6a](N[6a]C[6a])2(OC[6a]){1|Cl<1>,1|N<2>,1|O<2>}	C[6a](N[6a]C[6a])2(OC[6a]){1|Cl<1>,1|N<2>,1|O<2>}	112.8567	0.374	18	112.0362	0.453	111	112.1960	0.444	197	112.6365	1.524	316	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:2:	2:2:2:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:O-2:	N[6a]-2:N[6a]-2:O-2:	N[6a](C[6a]N[6a]O)2	C[6a](N[6a]C[6a])2(OC[6a])	C[6a](N[6a]C[6a])2(OC[6a])	N[6a](C[6a]N[6a]O)2{1|C<3>}	C[6a](N[6a]C[6a])2(OC[6a]){1|N<2>,1|N<3>,1|O<2>}	C[6a](N[6a]C[6a])2(OC[6a]){1|N<2>,1|N<3>,1|O<2>}	111.3278	0.605	13	112.0362	0.453	111	112.1960	0.444	197	112.6365	1.524	316	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:2:	2:2:2:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:O-2:	N[6a]-2:N[6a]-2:O-2:	N[6a](C[6a]N[6a]O)2	C[6a](N[6a]C[6a])2(OC[6a])	C[6a](N[6a]C[6a])2(OC[6a])	N[6a](C[6a]N[6a]O)2{1|C<3>}	C[6a](N[6a]C[6a])2(OC[6a]){1|N<2>,2|O<2>}	C[6a](N[6a]C[6a])2(OC[6a]){1|N<2>,2|O<2>}	111.9396	0.567	66	112.0362	0.453	111	112.1960	0.444	197	112.6365	1.524	316	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:2:	2:2:2:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:O-2:	N[6a]-2:N[6a]-2:O-2:	N[6a](C[6a]N[6a]O)2	C[6a](N[6a]C[6a])2(ON[5a])	C[6a](N[6a]C[6a])2(OC)	N[6a](C[6a]N[6a]O)2{1|C<3>}	C[6a](N[6a]C[6a])2(ON[5a]){1|N<2>,2|O<2>}	C[6a](N[6a]C[6a])2(OC){1|N<2>,2|O<2>}	111.2953	0.316	6	111.2953	0.100	6	112.1960	0.444	197	112.6365	1.524	316	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:2:	2:2:2:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:S-2:	N[6a]-2:N[6a]-2:S-2:	N[6a](C[6a]N[6a]S)2	C[6a](N[6a]C[6a])2(SC)	C[6a](N[6a]C[6a])2(SC)	N[6a](C[6a]N[6a]S)2{1|C<3>}	C[6a](N[6a]C[6a])2(SC){1|N<2>,2|S<2>}	C[6a](N[6a]C[6a])2(SC){1|N<2>,2|S<2>}	113.8444	0.691	13	113.8444	0.478	13	113.4541	0.300	41	112.6365	1.524	316	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:2:	2:2:2:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:S-2:	N[6a]-2:N[6a]-2:S-2:	N[6a](C[6a]N[6a]S)2	C[6a](N[6a]C[6a])2(SC[6a])	C[6a](N[6a]C[6a])2(SC[6a])	N[6a](C[6a]N[6a]S)2{1|C<3>}	C[6a](N[6a]C[6a])2(SC[6a]){1|N<2>,2|S<2>}	C[6a](N[6a]C[6a])2(SC[6a]){1|N<2>,2|S<2>}	113.2461	0.365	24	113.2461	0.133	24	113.4541	0.300	41	112.6365	1.524	316	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:2:	2:2:2:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:S-2:	N[6a]-2:N[6a]-2:S-2:	N[6a](C[6a]N[6a]S)2	C[6a](N[6a]C[6a])2(SPt)	C[6a](N[6a]C[6a])2(SC)	N[6a](C[6a]N[6a]S)2{1|C<3>}	C[6a](N[6a]C[6a])2(SPt){1|N<2>,2|S<2>}	C[6a](N[6a]C[6a])2(SC){1|N<2>,2|S<2>}	113.4595	0.435	2	113.4595	0.189	2	113.4541	0.300	41	112.6365	1.524	316	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:2:	2:2:2:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:S-2:	N[6a]-2:N[6a]-2:S-2:	N[6a](C[6a]N[6a]S)2	C[6a](N[6a]C[6a])2(SPt)	C[6a](N[6a]C[6a])2(SPt)	N[6a](C[6a]N[6a]S)2{1|C<3>}	C[6a](N[6a]C[6a])2(SPt){1|N<2>,1|N<3>,1|S<2>}	C[6a](N[6a]C[6a])2(SPt){1|N<2>,1|N<3>,1|S<2>}	113.3920	0.000	1	113.4070	0.000	2	113.4541	0.300	41	112.6365	1.524	316	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:2:	2:2:2:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:S-2:	N[6a]-2:N[6a]-2:S-2:	N[6a](C[6a]N[6a]S)2	C[6a](N[6a]C[6a])2(SPt)	C[6a](N[6a]C[6a])2(SPt)	N[6a](C[6a]N[6a]S)2{1|C<3>}	C[6a](N[6a]C[6a])2(SPt){1|N<2>,2|S<2>}	C[6a](N[6a]C[6a])2(SPt){1|N<2>,2|S<2>}	113.4220	0.000	1	113.4070	0.000	2	113.4541	0.300	41	112.6365	1.524	316	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:2:	2:2:2:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:Se-2:	N[6a]-2:N[6a]-2:Se-2:	N[6a](C[6a]N[6a]Se)2	C[6a](N[6a]C[6a])2(SeC[6a])	C[6a](N[6a]C[6a])2(SeC[6a])	N[6a](C[6a]N[6a]Se)2{1|C<3>}	C[6a](N[6a]C[6a])2(SeC[6a]){1|Se<2>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(SeC[6a]){1|Se<2>,1|N<2>,1|N<3>}	111.3627	0.217	3	111.3627	0.047	3	111.3627	0.047	3	112.6365	1.524	316	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:2:	2:2:2:	C[6a]-3:C[6a]-3:	S-2:N[6a]-2:N[6a]-2:	S-2:N[6a]-2:N[6a]-2:	N[6a](C[6a]N[6a]S)2	C[6a](SB[5x3,5x5,20x6])(N[6a]C[6a])2	C[6a](SB[5x3,5x5,20x6])(N[6a]C[6a])2	N[6a](C[6a]N[6a]S)2{1|C<3>}	C[6a](SB[5x3,5x5,20x6])(N[6a]C[6a])2{1|Cl<1>,1|N<2>,1|S<2>}	C[6a](SB[5x3,5x5,20x6])(N[6a]C[6a])2{1|Cl<1>,1|N<2>,1|S<2>}	114.2220	0.000	1	113.6490	0.657	2	113.6490	0.657	2	112.6365	1.524	316	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:2:	2:2:2:	C[6a]-3:C[6a]-3:	S-2:N[6a]-2:N[6a]-2:	S-2:N[6a]-2:N[6a]-2:	N[6a](C[6a]N[6a]S)2	C[6a](SB[5x3,5x5,20x6])(N[6a]C[6a])2	C[6a](SB[5x3,5x5,20x6])(N[6a]C[6a])2	N[6a](C[6a]N[6a]S)2{1|C<3>}	C[6a](SB[5x3,5x5,20x6])(N[6a]C[6a])2{1|N<2>,1|N<3>,1|S<2>}	C[6a](SB[5x3,5x5,20x6])(N[6a]C[6a])2{1|N<2>,1|N<3>,1|S<2>}	113.0760	0.000	1	113.6490	0.657	2	113.6490	0.657	2	112.6365	1.524	316	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:2:	2:2:3:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:N-2:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]N[6a]N)2	C[6a](N[6a]C[6a])2(NC)	C[6a](N[6a]C[6a])2(NCH)	N[6a](C[6a]N[6a]N)2{1|C<3>}	C[6a](N[6a]C[6a])2(NC){1|Cl<1>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(NCH){1|Cl<1>,2|N<2>}	115.1440	0.000	1	115.1440	0.000	1	117.8210	16.797	5	113.6376	3.334	56	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:2:	2:2:3:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:N-2:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]N[6a]N)2	C[6a](N[6a]C[6a])2(NN)	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]N[6a]N)2{1|C<3>}	C[6a](N[6a]C[6a])2(NN){1|N<3>,2|N<2>}	C[6a](N[6a]C[6a])2(NHH){3|N<2>}	114.7060	0.877	2	114.7060	0.769	2	117.8210	16.797	5	113.6376	3.334	56	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:2:	2:2:3:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:N-2:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]N[6a]N)2	C[6a](N[6a]C[6a])2(NP)	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]N[6a]N)2{1|C<3>}	C[6a](N[6a]C[6a])2(NP){1|N<3>,2|N<2>}	C[6a](N[6a]C[6a])2(NHH){3|N<2>}	122.2745	0.424	2	122.2745	0.179	2	117.8210	16.797	5	113.6376	3.334	56	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:2:	2:2:3:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:O-2:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O)	C[6a](N[6a]C[6a])2(OC)	C[6a](N[6a]C[6a])2(NCC)	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O){1|C<3>}	C[6a](N[6a]C[6a])2(OC){1|N<2>,1|N<3>,1|O<2>}	C[6a](N[6a]C[6a])2(NCC){1|N<2>,2|O<2>}	113.4520	0.206	2	113.4520	0.043	2	113.0551	0.316	41	113.6376	3.334	56	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:2:	2:2:3:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:O-2:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O)	C[6a](N[6a]C[6a])2(OC)	C[6a](N[6a]C[6a])2(NC[6a]2)	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O){1|C<3>}	C[6a](N[6a]C[6a])2(OC){1|N<2>,1|N<3>,1|O<2>}	C[6a](N[6a]C[6a])2(NC[6a]2){1|N<2>,2|O<2>}	112.9080	0.000	1	112.9080	0.000	1	113.0551	0.316	41	113.6376	3.334	56	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:2:	2:2:3:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:O-2:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O)	C[6a](N[6a]C[6a])2(OC)	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O){1|C<3>}	C[6a](N[6a]C[6a])2(OC){1|N<2>,1|N<3>,1|O<2>}	C[6a](N[6a]C[6a])2(NHH){1|N<2>,2|O<2>}	113.5810	0.190	2	113.5810	0.036	2	113.0551	0.316	41	113.6376	3.334	56	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:2:	2:2:3:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:O-2:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O)	C[6a](N[6a]C[6a])2(OC)	C[6a](N[6a]C[6a])2(NHS)	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O){1|C<3>}	C[6a](N[6a]C[6a])2(OC){1|N<2>,1|N<3>,1|O<2>}	C[6a](N[6a]C[6a])2(NHS){1|N<2>,2|O<2>}	112.9585	0.429	2	112.9585	0.184	2	113.0551	0.316	41	113.6376	3.334	56	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:2:	2:2:3:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:O-2:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O)	C[6a](N[6a]C[6a])2(OC[6a])	C[6a](N[6a]C[6a])2(NCC)	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O){1|C<3>}	C[6a](N[6a]C[6a])2(OC[6a]){1|Cl<1>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(NCC){1|Cl<1>,1|N<2>,1|O<2>}	114.2640	0.000	1	113.5957	0.352	7	113.0551	0.316	41	113.6376	3.334	56	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:2:	2:2:3:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:O-2:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O)	C[6a](N[6a]C[6a])2(OC[6a])	C[6a](N[6a]C[6a])2(NCC)	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O){1|C<3>}	C[6a](N[6a]C[6a])2(OC[6a]){1|N<2>,1|N<3>,1|O<2>}	C[6a](N[6a]C[6a])2(NCC){1|N<2>,2|O<2>}	113.4843	0.564	6	113.5957	0.352	7	113.0551	0.316	41	113.6376	3.334	56	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:2:	2:2:3:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:O-2:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O)	C[6a](N[6a]C[6a])2(OC[6a])	C[6a](N[6a]C[6a])2(NCH)	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O){1|C<3>}	C[6a](N[6a]C[6a])2(OC[6a]){1|Cl<1>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(NCH){1|Cl<1>,1|N<2>,1|O<2>}	113.7380	0.000	1	113.7380	0.000	1	113.0551	0.316	41	113.6376	3.334	56	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:2:	2:2:3:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:O-2:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O)	C[6a](N[6a]C[6a])2(OC[6a])	C[6a](N[6a]C[6a])2(NC[6]2)	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O){1|C<3>}	C[6a](N[6a]C[6a])2(OC[6a]){1|N<2>,1|N<3>,1|O<2>}	C[6a](N[6a]C[6a])2(NC[6]2){1|N<2>,2|O<2>}	112.9608	0.398	12	112.9608	0.158	12	113.0551	0.316	41	113.6376	3.334	56	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:2:	2:2:3:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:O-2:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O)	C[6a](N[6a]C[6a])2(OC[6a])	C[6a](N[6a]C[6a])2(NC[6a]2)	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O){1|C<3>}	C[6a](N[6a]C[6a])2(OC[6a]){1|N<2>,1|N<3>,1|O<2>}	C[6a](N[6a]C[6a])2(NC[6a]2){1|N<2>,2|O<2>}	112.8340	0.254	4	112.8340	0.065	4	113.0551	0.316	41	113.6376	3.334	56	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:2:	2:2:3:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:O-2:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O)	C[6a](N[6a]C[6a])2(OC[6a])	C[6a](N[6a]C[6a])2(NHN)	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O){1|C<3>}	C[6a](N[6a]C[6a])2(OC[6a]){1|Cl<1>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(NHN){1|Cl<1>,1|N<2>,1|O<2>}	112.6594	0.580	10	112.6594	0.336	10	113.0551	0.316	41	113.6376	3.334	56	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:2:	2:2:3:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:S-2:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]N[6a]N)(C[6a]N[6a]S)	C[6a](N[6a]C[6a])2(SPt)	C[6a](N[6a]C[6a])2(NCC)	N[6a](C[6a]N[6a]N)(C[6a]N[6a]S){1|C<3>}	C[6a](N[6a]C[6a])2(SPt){1|N<2>,1|N<3>,1|S<2>}	C[6a](N[6a]C[6a])2(NCC){1|N<2>,2|S<2>}	114.0590	0.000	1	114.0590	0.000	1	114.0590	0.000	1	113.6376	3.334	56	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:2:	2:2:3:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:Se-2:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]N[6a]Se)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(SeC[6a])	C[6a](N[6a]C[6a])2(NCC)	N[6a](C[6a]N[6a]Se)(C[6a]N[6a]N){1|C<3>}	C[6a](N[6a]C[6a])2(SeC[6a]){1|Se<2>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(NCC){2|Se<2>,1|N<2>}	113.6955	0.174	6	113.6955	0.030	6	113.6955	0.030	6	113.6376	3.334	56	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:2:	2:2:3:	C[6a]-3:C[6a]-3:	S-2:N[6a]-2:N[6a]-2:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]N[6a]N)(C[6a]N[6a]S)	C[6a](SB[5x3,5x5,20x6])(N[6a]C[6a])2	C[6a](N[6a]C[6a])2(NCC)	N[6a](C[6a]N[6a]N)(C[6a]N[6a]S){1|C<3>}	C[6a](SB[5x3,5x5,20x6])(N[6a]C[6a])2{1|Cl<1>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(NCC){1|Cl<1>,1|N<2>,1|S<2>}	114.7400	0.000	1	114.7400	0.000	1	114.3703	0.103	3	113.6376	3.334	56	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:2:	2:2:3:	C[6a]-3:C[6a]-3:	S-2:N[6a]-2:N[6a]-2:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]N[6a]N)(C[6a]N[6a]S)	C[6a](SB[5x3,5x5,20x6])(N[6a]C[6a])2	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]N[6a]N)(C[6a]N[6a]S){1|C<3>}	C[6a](SB[5x3,5x5,20x6])(N[6a]C[6a])2{1|N<2>,1|N<3>,1|S<2>}	C[6a](N[6a]C[6a])2(NHH){1|N<2>,2|S<2>}	114.1855	0.013	2	114.1855	0.000	2	114.3703	0.103	3	113.6376	3.334	56	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:2:	3:2:1:	C[6a]-3:C[6a]-3:	S-2:N[6a]-2:N[6a]-2:	N[6a]-3:N[6a]-2:O-1:	N[6a](C[6a]N[6a]O)(C[6a]N[6a]S)	C[6a](SB[5x3,5x5,20x6])(N[6a]C[6a])2	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(O)	N[6a](C[6a]N[6a]O)(C[6a]N[6a]S){1|C<3>,1|H<1>}	C[6a](SB[5x3,5x5,20x6])(N[6a]C[6a])2{1|N<3>,1|O<1>,1|S<2>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(O){1|N<2>,2|S<2>}	116.4787	0.652	3	116.4787	0.425	3	116.4787	0.425	3	116.4787	0.425	3	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:2:	3:2:3:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:N-2:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])(N[6a]N[6a])(NN)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){1|C<2>,1|N<2>}	C[6a](N[6a]C[6a])(N[6a]N[6a])(NN){1|C<3>,1|N<3>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(NHH){2|N<2>}	115.7850	0.047	2	115.7850	0.002	2	115.7850	0.002	2	115.7850	0.002	2	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:3:	2:2:1:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:C-3:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]N[6a]C)(C[6a]N[6a]H)	C[6a](N[6a]C[6a])2(CCN)	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]N[6a]C)(C[6a]N[6a]H){1|C<3>}	C[6a](N[6a]C[6a])2(CCN){1|H<1>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(H){1|C<3>,1|N<2>,1|N<3>}	114.9400	0.000	1	114.9400	0.000	1	114.9400	0.000	1	112.3045	0.820	134	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:3:	2:2:1:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:Cl-1:	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(NCC)	C[6a](N[6a]C[6a])2(Cl)	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N){1|C<3>}	C[6a](N[6a]C[6a])2(NCC){1|Cl<1>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(Cl){1|N<2>,2|N<3>}	112.1149	0.581	8	112.1691	0.303	10	112.1161	0.385	109	112.3045	0.820	134	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:3:	2:2:1:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:Cl-1:	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(NCC)	C[6a](N[6a]C[6a])2(Cl)	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N){1|C<3>}	C[6a](N[6a]C[6a])2(NCC){1|Cl<1>,1|N<2>,1|O<2>}	C[6a](N[6a]C[6a])2(Cl){1|N<2>,1|N<3>,1|O<2>}	112.0320	0.000	1	112.1691	0.303	10	112.1161	0.385	109	112.3045	0.820	134	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:3:	2:2:1:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:Cl-1:	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(NCC)	C[6a](N[6a]C[6a])2(Cl)	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N){1|C<3>}	C[6a](N[6a]C[6a])2(NCC){1|Cl<1>,1|N<2>,1|S<2>}	C[6a](N[6a]C[6a])2(Cl){1|N<2>,1|N<3>,1|S<2>}	112.7400	0.000	1	112.1691	0.303	10	112.1161	0.385	109	112.3045	0.820	134	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:3:	2:2:1:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:Cl-1:	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(NCH)	C[6a](N[6a]C[6a])2(Cl)	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N){1|C<3>}	C[6a](N[6a]C[6a])2(NCH){1|Cl<1>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(Cl){1|N<2>,2|N<3>}	112.2927	0.386	28	112.3199	0.155	30	112.1161	0.385	109	112.3045	0.820	134	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:3:	2:2:1:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:Cl-1:	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(NCH)	C[6a](N[6a]C[6a])2(Cl)	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N){1|C<3>}	C[6a](N[6a]C[6a])2(NCH){1|Cl<1>,1|N<2>,1|O<2>}	C[6a](N[6a]C[6a])2(Cl){1|N<2>,1|N<3>,1|O<2>}	112.9800	0.000	1	112.3199	0.155	30	112.1161	0.385	109	112.3045	0.820	134	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:3:	2:2:1:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:Cl-1:	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(NCH)	C[6a](N[6a]C[6a])2(Cl)	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N){1|C<3>}	C[6a](N[6a]C[6a])2(NCH){1|Cl<1>,2|N<2>}	C[6a](N[6a]C[6a])2(Cl){1|N<3>,2|N<2>}	112.4210	0.000	1	112.3199	0.155	30	112.1161	0.385	109	112.3045	0.820	134	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:3:	2:2:1:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:Cl-1:	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(NC[6]2)	C[6a](N[6a]C[6a])2(Cl)	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N){1|C<3>}	C[6a](N[6a]C[6a])2(NC[6]2){1|Cl<1>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(Cl){1|N<2>,2|N<3>}	111.0123	0.822	7	111.0123	0.675	7	112.1161	0.385	109	112.3045	0.820	134	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:3:	2:2:1:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:Cl-1:	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(NC[6]H)	C[6a](N[6a]C[6a])2(Cl)	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N){1|C<3>}	C[6a](N[6a]C[6a])2(NC[6]H){1|Cl<1>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(Cl){1|N<2>,2|N<3>}	111.5850	0.000	1	111.9800	0.312	2	112.1161	0.385	109	112.3045	0.820	134	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:3:	2:2:1:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:Cl-1:	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(NC[6]H)	C[6a](N[6a]C[6a])2(Cl)	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N){1|C<3>}	C[6a](N[6a]C[6a])2(NC[6]H){1|Cl<1>,1|N<2>,1|O<2>}	C[6a](N[6a]C[6a])2(Cl){1|N<2>,1|N<3>,1|O<2>}	112.3750	0.000	1	111.9800	0.312	2	112.1161	0.385	109	112.3045	0.820	134	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:3:	2:2:1:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:Cl-1:	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(NC[6a]2)	C[6a](N[6a]C[6a])2(Cl)	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N){1|C<3>}	C[6a](N[6a]C[6a])2(NC[6a]2){1|Cl<1>,1|N<2>,1|O<2>}	C[6a](N[6a]C[6a])2(Cl){1|N<2>,1|N<3>,1|O<2>}	112.3177	0.276	3	112.3177	0.076	3	112.1161	0.385	109	112.3045	0.820	134	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:3:	2:2:1:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:Cl-1:	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(NC[6a]C)	C[6a](N[6a]C[6a])2(Cl)	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N){1|C<3>}	C[6a](N[6a]C[6a])2(NC[6a]C){1|Cl<1>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(Cl){1|N<2>,2|N<3>}	111.7921	0.396	28	111.7921	0.157	28	112.1161	0.385	109	112.3045	0.820	134	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:3:	2:2:1:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:Cl-1:	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(NC[6a]H)	C[6a](N[6a]C[6a])2(Cl)	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N){1|C<3>}	C[6a](N[6a]C[6a])2(NC[6a]H){1|Cl<1>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(Cl){1|N<2>,2|N<3>}	111.9389	0.425	7	112.3612	0.495	11	112.1161	0.385	109	112.3045	0.820	134	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:3:	2:2:1:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:Cl-1:	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(NC[6a]H)	C[6a](N[6a]C[6a])2(Cl)	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N){1|C<3>}	C[6a](N[6a]C[6a])2(NC[6a]H){1|Cl<1>,1|N<2>,1|O<2>}	C[6a](N[6a]C[6a])2(Cl){1|N<2>,1|N<3>,1|O<2>}	113.1002	0.379	4	112.3612	0.495	11	112.1161	0.385	109	112.3045	0.820	134	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:3:	2:2:1:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:Cl-1:	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(NHH)	C[6a](N[6a]C[6a])2(Cl)	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N){1|C<3>}	C[6a](N[6a]C[6a])2(NHH){1|Cl<1>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(Cl){1|N<2>,2|N<3>}	112.6020	0.315	7	112.6020	0.099	7	112.1161	0.385	109	112.3045	0.820	134	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:3:	2:2:1:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:Cl-1:	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(NHN)	C[6a](N[6a]C[6a])2(Cl)	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N){1|C<3>}	C[6a](N[6a]C[6a])2(NHN){1|Cl<1>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(Cl){1|N<2>,2|N<3>}	111.7790	0.000	1	112.4548	0.360	11	112.1161	0.385	109	112.3045	0.820	134	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:3:	2:2:1:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:Cl-1:	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(NHN)	C[6a](N[6a]C[6a])2(Cl)	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N){1|C<3>}	C[6a](N[6a]C[6a])2(NHN){1|Cl<1>,1|N<2>,1|O<2>}	C[6a](N[6a]C[6a])2(Cl){1|N<2>,1|N<3>,1|O<2>}	112.5224	0.587	10	112.4548	0.360	11	112.1161	0.385	109	112.3045	0.820	134	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:3:	2:2:1:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]N[6a]H)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(NC[6a]H)	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]N[6a]H)(C[6a]N[6a]N){1|C<3>}	C[6a](N[6a]C[6a])2(NC[6a]H){1|H<1>,1|N<2>,1|S<2>}	C[6a](N[6a]C[6a])2(H){1|N<2>,1|N<3>,1|S<2>}	113.8400	0.000	1	113.8400	0.000	1	113.8878	0.233	5	112.3045	0.820	134	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:3:	2:2:1:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]N[6a]H)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(NHH)	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]N[6a]H)(C[6a]N[6a]N){1|C<3>}	C[6a](N[6a]C[6a])2(NHH){1|C<3>,1|H<1>,1|N<2>}	C[6a](N[6a]C[6a])2(H){1|C<3>,1|N<2>,1|N<3>}	113.9190	0.000	1	113.8997	0.310	4	113.8878	0.233	5	112.3045	0.820	134	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:3:	2:2:1:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]N[6a]H)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(NHH)	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]N[6a]H)(C[6a]N[6a]N){1|C<3>}	C[6a](N[6a]C[6a])2(NHH){1|H<1>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(H){1|N<2>,2|N<3>}	113.8933	0.682	3	113.8997	0.310	4	113.8878	0.233	5	112.3045	0.820	134	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:3:	2:2:1:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:N[5]-3:	N[6a]-2:N[6a]-2:Cl-1:	N[6a](C[6a]N[6a]N[5])(C[6a]N[6a]Cl)	C[6a](N[6a]C[6a])2(N[5]C[5]2)	C[6a](N[6a]C[6a])2(Cl)	N[6a](C[6a]N[6a]N[5])(C[6a]N[6a]Cl){1|C<3>,2|C<4>}	C[6a](N[6a]C[6a])2(N[5]C[5]2){2|Cl<1>,1|N<2>,1|O<2>,2|H<1>,3|C<4>}	C[6a](N[6a]C[6a])2(Cl){1|Cl<1>,1|N<2>,1|N<3>}	113.0270	0.277	2	113.0270	0.077	2	113.0270	0.077	2	112.3045	0.820	134	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:3:	2:2:1:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:N[6]-3:	N[6a]-2:N[6a]-2:Cl-1:	N[6a](C[6a]N[6a]N[6])(C[6a]N[6a]Cl)	C[6a](N[6a]C[6a])2(N[6]C[6]2)	C[6a](N[6a]C[6a])2(Cl)	N[6a](C[6a]N[6a]N[6])(C[6a]N[6a]Cl){1|C<3>,2|C<4>}	C[6a](N[6a]C[6a])2(N[6]C[6]2){1|Cl<1>,1|N<2>,1|N<3>,2|C<4>,4|H<1>}	C[6a](N[6a]C[6a])2(Cl){1|N<2>,2|N<3>}	111.9287	0.220	10	112.5023	0.836	16	112.5023	0.836	16	112.3045	0.820	134	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:3:	2:2:1:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:N[6]-3:	N[6a]-2:N[6a]-2:Cl-1:	N[6a](C[6a]N[6a]N[6])(C[6a]N[6a]Cl)	C[6a](N[6a]C[6a])2(N[6]C[6]2)	C[6a](N[6a]C[6a])2(Cl)	N[6a](C[6a]N[6a]N[6])(C[6a]N[6a]Cl){1|C<3>,2|C<4>}	C[6a](N[6a]C[6a])2(N[6]C[6]2){2|Cl<1>,1|N<2>,2|C<4>,4|H<1>}	C[6a](N[6a]C[6a])2(Cl){1|Cl<1>,1|N<2>,1|N<3>}	113.7582	0.399	5	112.5023	0.836	16	112.5023	0.836	16	112.3045	0.820	134	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:3:	2:2:1:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:N[6]-3:	N[6a]-2:N[6a]-2:Cl-1:	N[6a](C[6a]N[6a]N[6])(C[6a]N[6a]Cl)	C[6a](N[6a]C[6a])2(N[6]C[6]2)	C[6a](N[6a]C[6a])2(Cl)	N[6a](C[6a]N[6a]N[6])(C[6a]N[6a]Cl){3|C<3>}	C[6a](N[6a]C[6a])2(N[6]C[6]2){1|Cl<1>,1|N<2>,1|O<2>,2|C<4>,2|O<1>}	C[6a](N[6a]C[6a])2(Cl){1|N<2>,1|N<3>,1|O<2>}	111.9580	0.000	1	112.5023	0.836	16	112.5023	0.836	16	112.3045	0.820	134	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:3:	2:2:1:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:N[6]-3:	N[6a]-2:O[6a]-2:O-1:	N[6a](C[6a]N[6a]N[6])(C[6a]O[6a]O)	C[6a](N[6a]C[6a])2(N[6]C[6]2)	C[6a](N[6a]C[6a])(O[6a]C[6a])(O)	N[6a](C[6a]N[6a]N[6])(C[6a]O[6a]O){1|C<3>,2|C<4>}	C[6a](N[6a]C[6a])2(N[6]C[6]2){1|N<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[6a](N[6a]C[6a])(O[6a]C[6a])(O){1|N<2>,2|N<3>}	117.6770	0.000	1	117.6770	0.000	1	117.6770	0.000	1	112.3045	0.820	134	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:3:	2:2:2:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:N-2:	N[6a](C[6a]N[6a]N)2	C[6a](N[6a]C[6a])2(NHH)	C[6a](N[6a]C[6a])2(NH)	N[6a](C[6a]N[6a]N)2{1|C<3>}	C[6a](N[6a]C[6a])2(NHH){1|N<3>,2|N<2>}	C[6a](N[6a]C[6a])2(NH){1|N<2>,2|N<3>}	113.1020	0.000	1	113.1020	0.000	1	113.1020	0.000	1	113.3999	1.584	34	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:3:	2:2:2:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:O-2:	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O)	C[6a](N[6a]C[6a])2(NCC)	C[6a](N[6a]C[6a])2(OC)	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O){1|C<3>}	C[6a](N[6a]C[6a])2(NCC){1|C<4>,1|N<2>,1|O<2>}	C[6a](N[6a]C[6a])2(OC){1|C<4>,1|N<2>,1|N<3>}	119.3270	0.000	1	114.7330	9.456	4	113.3156	2.099	25	113.3999	1.584	34	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:3:	2:2:2:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:O-2:	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O)	C[6a](N[6a]C[6a])2(NCC)	C[6a](N[6a]C[6a])2(OC)	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O){1|C<3>}	C[6a](N[6a]C[6a])2(NCC){1|N<2>,1|N<3>,1|O<2>}	C[6a](N[6a]C[6a])2(OC){1|N<2>,2|N<3>}	113.2017	0.339	3	114.7330	9.456	4	113.3156	2.099	25	113.3999	1.584	34	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:3:	2:2:2:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:O-2:	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O)	C[6a](N[6a]C[6a])2(NCH)	C[6a](N[6a]C[6a])2(OC)	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O){1|C<3>}	C[6a](N[6a]C[6a])2(NCH){1|C<4>,1|N<2>,1|O<2>}	C[6a](N[6a]C[6a])2(OC){1|C<4>,1|N<2>,1|N<3>}	112.3868	1.122	4	112.6770	0.794	7	113.3156	2.099	25	113.3999	1.584	34	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:3:	2:2:2:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:O-2:	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O)	C[6a](N[6a]C[6a])2(NCH)	C[6a](N[6a]C[6a])2(OC)	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O){1|C<3>}	C[6a](N[6a]C[6a])2(NCH){1|N<2>,1|N<3>,1|O<2>}	C[6a](N[6a]C[6a])2(OC){1|N<2>,2|N<3>}	113.0640	0.314	3	112.6770	0.794	7	113.3156	2.099	25	113.3999	1.584	34	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:3:	2:2:2:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:O-2:	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O)	C[6a](N[6a]C[6a])2(NCN)	C[6a](N[6a]C[6a])2(OC)	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O){1|C<3>}	C[6a](N[6a]C[6a])2(NCN){1|N<2>,1|N<3>,1|O<2>}	C[6a](N[6a]C[6a])2(OC){1|N<2>,2|N<3>}	112.6192	0.377	4	112.6192	0.142	4	113.3156	2.099	25	113.3999	1.584	34	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:3:	2:2:2:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:O-2:	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O)	C[6a](N[6a]C[6a])2(NC[6]C)	C[6a](N[6a]C[6a])2(OC)	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O){1|C<3>}	C[6a](N[6a]C[6a])2(NC[6]C){1|N<2>,1|N<3>,1|O<2>}	C[6a](N[6a]C[6a])2(OC){1|N<2>,2|N<3>}	112.8065	0.046	2	112.8065	0.002	2	113.3156	2.099	25	113.3999	1.584	34	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:3:	2:2:2:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:O-2:	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O)	C[6a](N[6a]C[6a])2(NC[6]H)	C[6a](N[6a]C[6a])2(OC)	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O){1|C<3>}	C[6a](N[6a]C[6a])2(NC[6]H){1|Cl<1>,1|N<2>,1|O<2>}	C[6a](N[6a]C[6a])2(OC){1|Cl<1>,1|N<2>,1|N<3>}	113.5250	0.000	1	113.5250	0.000	1	113.3156	2.099	25	113.3999	1.584	34	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:3:	2:2:2:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:O-2:	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O)	C[6a](N[6a]C[6a])2(NC[6a]2)	C[6a](N[6a]C[6a])2(OC)	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O){1|C<3>}	C[6a](N[6a]C[6a])2(NC[6a]2){1|Cl<1>,1|N<2>,1|O<2>}	C[6a](N[6a]C[6a])2(OC){1|Cl<1>,1|N<2>,1|N<3>}	114.0023	0.109	3	114.0023	0.012	3	113.3156	2.099	25	113.3999	1.584	34	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:3:	2:2:2:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:O-2:	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O)	C[6a](N[6a]C[6a])2(NC[6a]H)	C[6a](N[6a]C[6a])2(OC)	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O){1|C<3>}	C[6a](N[6a]C[6a])2(NC[6a]H){1|Cl<1>,1|N<2>,1|O<2>}	C[6a](N[6a]C[6a])2(OC){1|Cl<1>,1|N<2>,1|N<3>}	114.0930	0.174	2	114.0930	0.030	2	113.3156	2.099	25	113.3999	1.584	34	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:3:	2:2:2:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:O-2:	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O)	C[6a](N[6a]C[6a])2(NC[6a]H)	C[6a](N[6a]C[6a])2(OC[6a])	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O){1|C<3>}	C[6a](N[6a]C[6a])2(NC[6a]H){1|Cl<1>,1|N<2>,1|O<2>}	C[6a](N[6a]C[6a])2(OC[6a]){1|Cl<1>,1|N<2>,1|N<3>}	112.7050	0.072	2	112.7050	0.005	2	113.3156	2.099	25	113.3999	1.584	34	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:3:	2:2:2:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:S-2:	N[6a](C[6a]N[6a]N)(C[6a]N[6a]S)	C[6a](N[6a]C[6a])2(NC[6a]H)	C[6a](N[6a]C[6a])2(SC)	N[6a](C[6a]N[6a]N)(C[6a]N[6a]S){1|C<3>}	C[6a](N[6a]C[6a])2(NC[6a]H){1|H<1>,1|N<2>,1|S<2>}	C[6a](N[6a]C[6a])2(SC){1|H<1>,1|N<2>,1|N<3>}	114.2350	0.000	1	114.2350	0.000	1	114.1260	0.024	2	113.3999	1.584	34	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:3:	2:2:2:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:S-2:	N[6a](C[6a]N[6a]N)(C[6a]N[6a]S)	C[6a](N[6a]C[6a])2(NHH)	C[6a](N[6a]C[6a])2(SC)	N[6a](C[6a]N[6a]N)(C[6a]N[6a]S){1|C<3>}	C[6a](N[6a]C[6a])2(NHH){1|C<3>,1|N<2>,1|S<2>}	C[6a](N[6a]C[6a])2(SC){1|C<3>,1|N<2>,1|N<3>}	114.0170	0.000	1	114.0170	0.000	1	114.1260	0.024	2	113.3999	1.584	34	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:3:	2:2:2:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:N[6]-3:	N[6a]-2:N[6a]-2:N-2:	N[6a](C[6a]N[6a]N[6])(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(N[6]C[6]2)	C[6a](N[6a]C[6a])2(NH)	N[6a](C[6a]N[6a]N[6])(C[6a]N[6a]N){1|C<3>,2|C<4>}	C[6a](N[6a]C[6a])2(N[6]C[6]2){1|N<3>,2|C<4>,2|N<2>,4|H<1>}	C[6a](N[6a]C[6a])2(NH){1|N<2>,2|N<3>}	113.9020	0.000	1	113.9020	0.000	1	113.9020	0.000	1	113.3999	1.584	34	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:3:	2:2:2:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:N[6]-3:	N[6a]-2:N[6a]-2:O-2:	N[6a](C[6a]N[6a]N[6])(C[6a]N[6a]O)	C[6a](N[6a]C[6a])2(N[6]C[6]2)	C[6a](N[6a]C[6a])2(OC)	N[6a](C[6a]N[6a]N[6])(C[6a]N[6a]O){1|C<3>,2|C<4>}	C[6a](N[6a]C[6a])2(N[6]C[6]2){1|N<2>,2|C<4>,2|O<2>,4|H<1>}	C[6a](N[6a]C[6a])2(OC){1|N<2>,1|N<3>,1|O<2>}	113.5987	0.089	4	113.4900	0.065	5	113.4900	0.065	5	113.3999	1.584	34	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:3:	2:2:2:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:N[6]-3:	N[6a]-2:N[6a]-2:O-2:	N[6a](C[6a]N[6a]N[6])(C[6a]N[6a]O)	C[6a](N[6a]C[6a])2(N[6]C[6]2)	C[6a](N[6a]C[6a])2(OC)	N[6a](C[6a]N[6a]N[6])(C[6a]N[6a]O){3|C<3>}	C[6a](N[6a]C[6a])2(N[6]C[6]2){1|Cl<1>,1|N<2>,1|O<2>,2|C<4>,2|O<1>}	C[6a](N[6a]C[6a])2(OC){1|Cl<1>,1|N<2>,1|N<3>}	113.0550	0.000	1	113.4900	0.065	5	113.4900	0.065	5	113.3999	1.584	34	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:3:	2:2:3:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:C-3:	N[6a]-2:N[6a]-2:C-3:	N[6a](C[6a]N[6a]C)2	C[6a](N[6a]C[6a])2(COO)	C[6a](N[6a]C[6a])2(COO)	N[6a](C[6a]N[6a]C)2{1|C<3>}	C[6a](N[6a]C[6a])2(COO){1|N<2>,2|C<3>}	C[6a](N[6a]C[6a])2(COO){1|N<2>,2|C<3>}	114.0050	0.000	1	114.0050	0.000	1	114.0050	0.000	1	114.4631	1.734	558	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:3:	2:2:3:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:C-3:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]N[6a]C)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(CCN)	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]N[6a]C)(C[6a]N[6a]N){1|C<3>}	C[6a](N[6a]C[6a])2(CCN){1|H<1>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(NHH){1|C<3>,1|H<1>,1|N<2>}	115.4310	0.000	1	115.4310	0.000	1	115.4310	0.000	1	114.4631	1.734	558	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:3:	2:2:3:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:C[6]-3:	N[6a]-2:N[6a]-2:C[6]-3:	N[6a](C[6a]N[6a]C[6])2	C[6a](N[6a]C[6a])2(C[6]C[6]2)	C[6a](N[6a]C[6a])2(C[6]C[6]2)	N[6a](C[6a]N[6a]C[6])2{5|C<3>}	C[6a](N[6a]C[6a])2(C[6]C[6]2){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6a](N[6a]C[6a])2(C[6]C[6]2){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	114.5237	0.690	12	114.6072	0.572	93	114.6072	0.572	93	114.4631	1.734	558	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:3:	2:2:3:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:C[6]-3:	N[6a]-2:N[6a]-2:C[6]-3:	N[6a](C[6a]N[6a]C[6])2	C[6a](N[6a]C[6a])2(C[6]C[6]2)	C[6a](N[6a]C[6a])2(C[6]C[6]2)	N[6a](C[6a]N[6a]C[6])2{5|C<3>}	C[6a](N[6a]C[6a])2(C[6]C[6]2){1|N<2>,2|H<1>,4|C<3>}	C[6a](N[6a]C[6a])2(C[6]C[6]2){1|N<2>,2|H<1>,4|C<3>}	114.6196	0.769	81	114.6072	0.572	93	114.6072	0.572	93	114.4631	1.734	558	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:3:	2:2:3:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:C[6]-3:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]N[6a]C[6])(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(C[6]C[6]2)	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]N[6a]C[6])(C[6a]N[6a]N){3|C<3>}	C[6a](N[6a]C[6a])2(C[6]C[6]2){1|N<2>,2|C<3>,2|H<1>,2|N<3>}	C[6a](N[6a]C[6a])2(NHH){1|C<3>,1|N<2>,1|N<3>}	113.7798	1.352	8	113.7798	1.829	8	113.7798	1.829	8	114.4631	1.734	558	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:3:	2:2:3:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:C-3:	N[6a](C[6a]N[6a]C)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(NC[6a]H)	C[6a](N[6a]C[6a])2(COO)	N[6a](C[6a]N[6a]C)(C[6a]N[6a]N){1|C<3>}	C[6a](N[6a]C[6a])2(NC[6a]H){1|C<3>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(COO){1|N<2>,2|N<3>}	113.1065	0.129	2	113.1065	0.017	2	113.1065	0.017	2	114.4631	1.734	558	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:3:	2:2:3:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]N[6a]N)2	C[6a](N[6a]C[6a])2(NCC)	C[6a](N[6a]C[6a])2(NCC)	N[6a](C[6a]N[6a]N)2{1|C<3>}	C[6a](N[6a]C[6a])2(NCC){1|N<2>,2|N<3>}	C[6a](N[6a]C[6a])2(NCC){1|N<2>,2|N<3>}	113.9522	0.490	22	113.9522	0.240	22	114.4516	2.041	426	114.4631	1.734	558	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:3:	2:2:3:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]N[6a]N)2	C[6a](N[6a]C[6a])2(NCC)	C[6a](N[6a]C[6a])2(NCH)	N[6a](C[6a]N[6a]N)2{1|C<3>}	C[6a](N[6a]C[6a])2(NCC){1|Cl<1>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(NCH){1|Cl<1>,1|N<2>,1|N<3>}	115.0340	0.000	1	114.0905	0.328	18	114.4516	2.041	426	114.4631	1.734	558	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:3:	2:2:3:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]N[6a]N)2	C[6a](N[6a]C[6a])2(NCC)	C[6a](N[6a]C[6a])2(NCH)	N[6a](C[6a]N[6a]N)2{1|C<3>}	C[6a](N[6a]C[6a])2(NCC){1|N<2>,1|N<3>,1|O<2>}	C[6a](N[6a]C[6a])2(NCH){1|N<2>,1|N<3>,1|O<2>}	114.4963	0.311	3	114.0905	0.328	18	114.4516	2.041	426	114.4631	1.734	558	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:3:	2:2:3:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]N[6a]N)2	C[6a](N[6a]C[6a])2(NCC)	C[6a](N[6a]C[6a])2(NCH)	N[6a](C[6a]N[6a]N)2{1|C<3>}	C[6a](N[6a]C[6a])2(NCC){1|N<2>,2|N<3>}	C[6a](N[6a]C[6a])2(NCH){1|N<2>,2|N<3>}	113.9361	0.531	14	114.0905	0.328	18	114.4516	2.041	426	114.4631	1.734	558	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:3:	2:2:3:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]N[6a]N)2	C[6a](N[6a]C[6a])2(NCC)	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]N[6a]N)2{1|C<3>}	C[6a](N[6a]C[6a])2(NCC){1|C<3>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(NHH){1|C<3>,1|N<2>,1|N<3>}	114.2490	0.000	1	114.0570	0.074	2	114.4516	2.041	426	114.4631	1.734	558	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:3:	2:2:3:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]N[6a]N)2	C[6a](N[6a]C[6a])2(NCC)	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]N[6a]N)2{1|C<3>}	C[6a](N[6a]C[6a])2(NCC){1|N<2>,2|N<3>}	C[6a](N[6a]C[6a])2(NHH){1|N<2>,2|N<3>}	113.8650	0.000	1	114.0570	0.074	2	114.4516	2.041	426	114.4631	1.734	558	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:3:	2:2:3:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]N[6a]N)2	C[6a](N[6a]C[6a])2(NCC)	C[6a](N[6a]C[6a])2(NHN)	N[6a](C[6a]N[6a]N)2{1|C<3>}	C[6a](N[6a]C[6a])2(NCC){1|N<2>,2|N<3>}	C[6a](N[6a]C[6a])2(NHN){1|N<2>,2|N<3>}	112.8885	0.042	2	112.8885	0.002	2	114.4516	2.041	426	114.4631	1.734	558	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:3:	2:2:3:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]N[6a]N)2	C[6a](N[6a]C[6a])2(NCH)	C[6a](N[6a]C[6a])2(NCH)	N[6a](C[6a]N[6a]N)2{1|C<3>}	C[6a](N[6a]C[6a])2(NCH){1|Cl<1>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(NCH){1|Cl<1>,1|N<2>,1|N<3>}	114.6923	0.644	12	114.0739	0.711	30	114.4516	2.041	426	114.4631	1.734	558	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:3:	2:2:3:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]N[6a]N)2	C[6a](N[6a]C[6a])2(NCH)	C[6a](N[6a]C[6a])2(NCH)	N[6a](C[6a]N[6a]N)2{1|C<3>}	C[6a](N[6a]C[6a])2(NCH){1|N<2>,2|N<3>}	C[6a](N[6a]C[6a])2(NCH){1|N<2>,2|N<3>}	113.6616	0.703	18	114.0739	0.711	30	114.4516	2.041	426	114.4631	1.734	558	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:3:	2:2:3:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]N[6a]N)2	C[6a](N[6a]C[6a])2(NCN)	C[6a](N[6a]C[6a])2(NCN)	N[6a](C[6a]N[6a]N)2{1|C<3>}	C[6a](N[6a]C[6a])2(NCN){1|N<2>,1|N<3>,1|O<2>}	C[6a](N[6a]C[6a])2(NCN){1|N<2>,1|N<3>,1|O<2>}	113.2085	0.029	2	113.2085	0.001	2	114.4516	2.041	426	114.4631	1.734	558	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:3:	2:2:3:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]N[6a]N)2	C[6a](N[6a]C[6a])2(NC[5]C)	C[6a](N[6a]C[6a])2(NCH)	N[6a](C[6a]N[6a]N)2{1|C<3>}	C[6a](N[6a]C[6a])2(NC[5]C){1|N<2>,2|N<3>}	C[6a](N[6a]C[6a])2(NCH){1|N<2>,2|N<3>}	113.9990	0.082	2	113.9990	0.007	2	114.4516	2.041	426	114.4631	1.734	558	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:3:	2:2:3:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]N[6a]N)2	C[6a](N[6a]C[6a])2(NC[6]2)	C[6a](N[6a]C[6a])2(NCC)	N[6a](C[6a]N[6a]N)2{1|C<3>}	C[6a](N[6a]C[6a])2(NC[6]2){1|Cl<1>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(NCC){1|Cl<1>,1|N<2>,1|N<3>}	114.5854	0.587	5	113.3773	0.573	25	114.4516	2.041	426	114.4631	1.734	558	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:3:	2:2:3:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]N[6a]N)2	C[6a](N[6a]C[6a])2(NC[6]2)	C[6a](N[6a]C[6a])2(NCC)	N[6a](C[6a]N[6a]N)2{1|C<3>}	C[6a](N[6a]C[6a])2(NC[6]2){1|N<2>,2|N<3>}	C[6a](N[6a]C[6a])2(NCC){1|N<2>,2|N<3>}	113.0753	0.413	20	113.3773	0.573	25	114.4516	2.041	426	114.4631	1.734	558	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:3:	2:2:3:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]N[6a]N)2	C[6a](N[6a]C[6a])2(NC[6]2)	C[6a](N[6a]C[6a])2(NC[6]2)	N[6a](C[6a]N[6a]N)2{1|C<3>}	C[6a](N[6a]C[6a])2(NC[6]2){1|Cl<1>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(NC[6]2){1|Cl<1>,1|N<2>,1|N<3>}	114.7750	0.000	1	113.5210	3.145	2	114.4516	2.041	426	114.4631	1.734	558	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:3:	2:2:3:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]N[6a]N)2	C[6a](N[6a]C[6a])2(NC[6]2)	C[6a](N[6a]C[6a])2(NC[6]2)	N[6a](C[6a]N[6a]N)2{1|C<3>}	C[6a](N[6a]C[6a])2(NC[6]2){1|N<2>,2|N<3>}	C[6a](N[6a]C[6a])2(NC[6]2){1|N<2>,2|N<3>}	112.2670	0.000	1	113.5210	3.145	2	114.4516	2.041	426	114.4631	1.734	558	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:3:	2:2:3:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]N[6a]N)2	C[6a](N[6a]C[6a])2(NC[6]C)	C[6a](N[6a]C[6a])2(NCC)	N[6a](C[6a]N[6a]N)2{1|C<3>}	C[6a](N[6a]C[6a])2(NC[6]C){1|N<2>,2|N<3>}	C[6a](N[6a]C[6a])2(NCC){1|N<2>,2|N<3>}	114.3295	0.583	2	114.3295	0.340	2	114.4516	2.041	426	114.4631	1.734	558	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:3:	2:2:3:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]N[6a]N)2	C[6a](N[6a]C[6a])2(NC[6]C)	C[6a](N[6a]C[6a])2(NC[6]C)	N[6a](C[6a]N[6a]N)2{1|C<3>}	C[6a](N[6a]C[6a])2(NC[6]C){1|C<4>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(NC[6]C){1|C<4>,1|N<2>,1|N<3>}	115.0350	0.000	1	114.7153	0.279	3	114.4516	2.041	426	114.4631	1.734	558	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:3:	2:2:3:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]N[6a]N)2	C[6a](N[6a]C[6a])2(NC[6]C)	C[6a](N[6a]C[6a])2(NC[6]C)	N[6a](C[6a]N[6a]N)2{1|C<3>}	C[6a](N[6a]C[6a])2(NC[6]C){1|N<2>,1|N<3>,1|O<2>}	C[6a](N[6a]C[6a])2(NC[6]C){1|N<2>,1|N<3>,1|O<2>}	115.0050	0.000	1	114.7153	0.279	3	114.4516	2.041	426	114.4631	1.734	558	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:3:	2:2:3:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]N[6a]N)2	C[6a](N[6a]C[6a])2(NC[6]C)	C[6a](N[6a]C[6a])2(NC[6]C)	N[6a](C[6a]N[6a]N)2{1|C<3>}	C[6a](N[6a]C[6a])2(NC[6]C){1|N<2>,2|N<3>}	C[6a](N[6a]C[6a])2(NC[6]C){1|N<2>,2|N<3>}	114.1060	0.000	1	114.7153	0.279	3	114.4516	2.041	426	114.4631	1.734	558	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:3:	2:2:3:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]N[6a]N)2	C[6a](N[6a]C[6a])2(NC[6]H)	C[6a](N[6a]C[6a])2(NCH)	N[6a](C[6a]N[6a]N)2{1|C<3>}	C[6a](N[6a]C[6a])2(NC[6]H){1|Cl<1>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(NCH){1|Cl<1>,1|N<2>,1|N<3>}	115.6810	0.000	1	115.6810	0.000	1	114.4516	2.041	426	114.4631	1.734	558	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:3:	2:2:3:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]N[6a]N)2	C[6a](N[6a]C[6a])2(NC[6a]2)	C[6a](N[6a]C[6a])2(NCC)	N[6a](C[6a]N[6a]N)2{1|C<3>}	C[6a](N[6a]C[6a])2(NC[6a]2){1|N<2>,2|N<3>}	C[6a](N[6a]C[6a])2(NCC){1|N<2>,2|N<3>}	113.4595	0.342	2	113.4595	0.117	2	114.4516	2.041	426	114.4631	1.734	558	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:3:	2:2:3:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]N[6a]N)2	C[6a](N[6a]C[6a])2(NC[6a]2)	C[6a](N[6a]C[6a])2(NC[6]2)	N[6a](C[6a]N[6a]N)2{1|C<3>}	C[6a](N[6a]C[6a])2(NC[6a]2){1|N<2>,2|N<3>}	C[6a](N[6a]C[6a])2(NC[6]2){1|N<2>,2|N<3>}	113.0120	0.468	6	113.0120	0.219	6	114.4516	2.041	426	114.4631	1.734	558	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:3:	2:2:3:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]N[6a]N)2	C[6a](N[6a]C[6a])2(NC[6a]2)	C[6a](N[6a]C[6a])2(NC[6a]2)	N[6a](C[6a]N[6a]N)2{1|C<3>}	C[6a](N[6a]C[6a])2(NC[6a]2){1|N<2>,2|N<3>}	C[6a](N[6a]C[6a])2(NC[6a]2){1|N<2>,2|N<3>}	113.7363	0.175	3	113.7363	0.031	3	114.4516	2.041	426	114.4631	1.734	558	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:3:	2:2:3:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]N[6a]N)2	C[6a](N[6a]C[6a])2(NC[6a]2)	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]N[6a]N)2{1|C<3>}	C[6a](N[6a]C[6a])2(NC[6a]2){1|N<2>,2|N<3>}	C[6a](N[6a]C[6a])2(NHH){1|N<2>,2|N<3>}	113.1273	1.280	19	113.1273	1.639	19	114.4516	2.041	426	114.4631	1.734	558	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:3:	2:2:3:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]N[6a]N)2	C[6a](N[6a]C[6a])2(NC[6a]C)	C[6a](N[6a]C[6a])2(NCC)	N[6a](C[6a]N[6a]N)2{1|C<3>}	C[6a](N[6a]C[6a])2(NC[6a]C){1|Cl<1>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(NCC){1|Cl<1>,1|N<2>,1|N<3>}	114.7710	0.221	2	114.0630	0.287	7	114.4516	2.041	426	114.4631	1.734	558	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:3:	2:2:3:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]N[6a]N)2	C[6a](N[6a]C[6a])2(NC[6a]C)	C[6a](N[6a]C[6a])2(NCC)	N[6a](C[6a]N[6a]N)2{1|C<3>}	C[6a](N[6a]C[6a])2(NC[6a]C){1|N<2>,2|N<3>}	C[6a](N[6a]C[6a])2(NCC){1|N<2>,2|N<3>}	113.7798	0.261	5	114.0630	0.287	7	114.4516	2.041	426	114.4631	1.734	558	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:3:	2:2:3:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]N[6a]N)2	C[6a](N[6a]C[6a])2(NC[6a]C)	C[6a](N[6a]C[6a])2(NC[6]C)	N[6a](C[6a]N[6a]N)2{1|C<3>}	C[6a](N[6a]C[6a])2(NC[6a]C){1|N<2>,2|N<3>}	C[6a](N[6a]C[6a])2(NC[6]C){1|N<2>,2|N<3>}	114.0200	0.000	1	114.0200	0.000	1	114.4516	2.041	426	114.4631	1.734	558	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:3:	2:2:3:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]N[6a]N)2	C[6a](N[6a]C[6a])2(NC[6a]C)	C[6a](N[6a]C[6a])2(NC[6a]C)	N[6a](C[6a]N[6a]N)2{1|C<3>}	C[6a](N[6a]C[6a])2(NC[6a]C){1|Cl<1>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(NC[6a]C){1|Cl<1>,1|N<2>,1|N<3>}	114.6242	0.314	12	114.2659	0.735	15	114.4516	2.041	426	114.4631	1.734	558	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:3:	2:2:3:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]N[6a]N)2	C[6a](N[6a]C[6a])2(NC[6a]C)	C[6a](N[6a]C[6a])2(NC[6a]C)	N[6a](C[6a]N[6a]N)2{1|C<3>}	C[6a](N[6a]C[6a])2(NC[6a]C){1|N<2>,2|N<3>}	C[6a](N[6a]C[6a])2(NC[6a]C){1|N<2>,2|N<3>}	112.8330	0.869	3	114.2659	0.735	15	114.4516	2.041	426	114.4631	1.734	558	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:3:	2:2:3:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]N[6a]N)2	C[6a](N[6a]C[6a])2(NC[6a]C)	C[6a](N[6a]C[6a])2(NC[6a]H)	N[6a](C[6a]N[6a]N)2{1|C<3>}	C[6a](N[6a]C[6a])2(NC[6a]C){1|Cl<1>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(NC[6a]H){1|Cl<1>,1|N<2>,1|N<3>}	114.8725	0.919	2	114.8725	0.844	2	114.4516	2.041	426	114.4631	1.734	558	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:3:	2:2:3:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]N[6a]N)2	C[6a](N[6a]C[6a])2(NC[6a]C)	C[6a](N[6a]C[6a])2(NHN)	N[6a](C[6a]N[6a]N)2{1|C<3>}	C[6a](N[6a]C[6a])2(NC[6a]C){1|Cl<1>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(NHN){1|Cl<1>,1|N<2>,1|N<3>}	114.4740	0.000	1	114.4740	0.000	1	114.4516	2.041	426	114.4631	1.734	558	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:3:	2:2:3:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]N[6a]N)2	C[6a](N[6a]C[6a])2(NC[6a]H)	C[6a](N[6a]C[6a])2(NCC)	N[6a](C[6a]N[6a]N)2{1|C<3>}	C[6a](N[6a]C[6a])2(NC[6a]H){1|C<3>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(NCC){1|C<3>,1|N<2>,1|N<3>}	114.5880	0.000	1	114.5285	0.007	2	114.4516	2.041	426	114.4631	1.734	558	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:3:	2:2:3:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]N[6a]N)2	C[6a](N[6a]C[6a])2(NC[6a]H)	C[6a](N[6a]C[6a])2(NCC)	N[6a](C[6a]N[6a]N)2{1|C<3>}	C[6a](N[6a]C[6a])2(NC[6a]H){1|N<2>,2|N<3>}	C[6a](N[6a]C[6a])2(NCC){1|N<2>,2|N<3>}	114.4690	0.000	1	114.5285	0.007	2	114.4516	2.041	426	114.4631	1.734	558	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:3:	2:2:3:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]N[6a]N)2	C[6a](N[6a]C[6a])2(NC[6a]H)	C[6a](N[6a]C[6a])2(NCH)	N[6a](C[6a]N[6a]N)2{1|C<3>}	C[6a](N[6a]C[6a])2(NC[6a]H){1|N<2>,2|N<3>}	C[6a](N[6a]C[6a])2(NCH){1|N<2>,2|N<3>}	113.6600	0.320	2	113.6600	0.102	2	114.4516	2.041	426	114.4631	1.734	558	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:3:	2:2:3:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]N[6a]N)2	C[6a](N[6a]C[6a])2(NC[6a]H)	C[6a](N[6a]C[6a])2(NC[6a]H)	N[6a](C[6a]N[6a]N)2{1|C<3>}	C[6a](N[6a]C[6a])2(NC[6a]H){1|C<3>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(NC[6a]H){1|C<3>,1|N<2>,1|N<3>}	115.2400	0.000	1	113.9790	0.858	13	114.4516	2.041	426	114.4631	1.734	558	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:3:	2:2:3:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]N[6a]N)2	C[6a](N[6a]C[6a])2(NC[6a]H)	C[6a](N[6a]C[6a])2(NC[6a]H)	N[6a](C[6a]N[6a]N)2{1|C<3>}	C[6a](N[6a]C[6a])2(NC[6a]H){1|Cl<1>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(NC[6a]H){1|Cl<1>,1|N<2>,1|N<3>}	114.6123	0.080	3	113.9790	0.858	13	114.4516	2.041	426	114.4631	1.734	558	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:3:	2:2:3:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]N[6a]N)2	C[6a](N[6a]C[6a])2(NC[6a]H)	C[6a](N[6a]C[6a])2(NC[6a]H)	N[6a](C[6a]N[6a]N)2{1|C<3>}	C[6a](N[6a]C[6a])2(NC[6a]H){1|N<2>,2|N<3>}	C[6a](N[6a]C[6a])2(NC[6a]H){1|N<2>,2|N<3>}	113.6278	0.893	9	113.9790	0.858	13	114.4516	2.041	426	114.4631	1.734	558	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:3:	2:2:3:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]N[6a]N)2	C[6a](N[6a]C[6a])2(NC[6a]H)	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]N[6a]N)2{1|C<3>}	C[6a](N[6a]C[6a])2(NC[6a]H){1|C<3>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(NHH){1|C<3>,1|N<2>,1|N<3>}	113.8605	0.250	2	113.8605	0.062	2	114.4516	2.041	426	114.4631	1.734	558	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:3:	2:2:3:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]N[6a]N)2	C[6a](N[6a]C[6a])2(NHH)	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]N[6a]N)2{1|C<3>}	C[6a](N[6a]C[6a])2(NHH){1|C<3>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(NHH){1|C<3>,1|N<2>,1|N<3>}	114.6509	1.253	123	114.9300	2.511	240	114.4516	2.041	426	114.4631	1.734	558	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:3:	2:2:3:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]N[6a]N)2	C[6a](N[6a]C[6a])2(NHH)	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]N[6a]N)2{1|C<3>}	C[6a](N[6a]C[6a])2(NHH){1|C<4>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(NHH){1|C<4>,1|N<2>,1|N<3>}	114.8669	0.332	8	114.9300	2.511	240	114.4516	2.041	426	114.4631	1.734	558	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:3:	2:2:3:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]N[6a]N)2	C[6a](N[6a]C[6a])2(NHH)	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]N[6a]N)2{1|C<3>}	C[6a](N[6a]C[6a])2(NHH){1|Cl<1>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(NHH){1|Cl<1>,1|N<2>,1|N<3>}	115.8583	0.226	3	114.9300	2.511	240	114.4516	2.041	426	114.4631	1.734	558	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:3:	2:2:3:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]N[6a]N)2	C[6a](N[6a]C[6a])2(NHH)	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]N[6a]N)2{1|C<3>}	C[6a](N[6a]C[6a])2(NHH){1|H<1>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(NHH){1|H<1>,1|N<2>,1|N<3>}	116.1175	0.575	2	114.9300	2.511	240	114.4516	2.041	426	114.4631	1.734	558	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:3:	2:2:3:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]N[6a]N)2	C[6a](N[6a]C[6a])2(NHH)	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]N[6a]N)2{1|C<3>}	C[6a](N[6a]C[6a])2(NHH){1|N<2>,1|N<3>,1|N<4>}	C[6a](N[6a]C[6a])2(NHH){1|N<2>,1|N<3>,1|N<4>}	117.3062	1.514	4	114.9300	2.511	240	114.4516	2.041	426	114.4631	1.734	558	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:3:	2:2:3:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]N[6a]N)2	C[6a](N[6a]C[6a])2(NHH)	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]N[6a]N)2{1|C<3>}	C[6a](N[6a]C[6a])2(NHH){1|N<2>,2|N<3>}	C[6a](N[6a]C[6a])2(NHH){1|N<2>,2|N<3>}	115.1317	1.904	100	114.9300	2.511	240	114.4516	2.041	426	114.4631	1.734	558	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:3:	2:2:3:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:N[6]-3:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]N[6a]N[6])(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(N[6]C[6]2)	C[6a](N[6a]C[6a])2(NCH)	N[6a](C[6a]N[6a]N[6])(C[6a]N[6a]N){1|C<3>,2|C<4>}	C[6a](N[6a]C[6a])2(N[6]C[6]2){1|Cl<1>,1|N<2>,1|N<3>,2|C<4>,4|H<1>}	C[6a](N[6a]C[6a])2(NCH){1|Cl<1>,1|N<2>,1|N<3>}	115.0005	0.374	2	114.5032	0.379	4	114.1358	1.247	13	114.4631	1.734	558	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:3:	2:2:3:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:N[6]-3:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]N[6a]N[6])(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(N[6]C[6]2)	C[6a](N[6a]C[6a])2(NCH)	N[6a](C[6a]N[6a]N[6])(C[6a]N[6a]N){1|C<3>,2|C<4>}	C[6a](N[6a]C[6a])2(N[6]C[6]2){1|N<2>,2|C<4>,2|N<3>,4|H<1>}	C[6a](N[6a]C[6a])2(NCH){1|N<2>,2|N<3>}	114.0060	0.095	2	114.5032	0.379	4	114.1358	1.247	13	114.4631	1.734	558	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:3:	2:2:3:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:N[6]-3:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]N[6a]N[6])(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(N[6]C[6]2)	C[6a](N[6a]C[6a])2(NC[6a]C)	N[6a](C[6a]N[6a]N[6])(C[6a]N[6a]N){1|C<3>,2|C<4>}	C[6a](N[6a]C[6a])2(N[6]C[6]2){1|Cl<1>,1|N<2>,1|N<3>,2|C<4>,4|H<1>}	C[6a](N[6a]C[6a])2(NC[6a]C){1|Cl<1>,1|N<2>,1|N<3>}	115.2530	0.000	1	115.2530	0.000	1	114.1358	1.247	13	114.4631	1.734	558	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:3:	2:2:3:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:N[6]-3:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]N[6a]N[6])(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(N[6]C[6]2)	C[6a](N[6a]C[6a])2(NC[6a]H)	N[6a](C[6a]N[6a]N[6])(C[6a]N[6a]N){1|C<3>,2|C<4>}	C[6a](N[6a]C[6a])2(N[6]C[6]2){1|Cl<1>,1|N<2>,1|N<3>,2|C<4>,4|H<1>}	C[6a](N[6a]C[6a])2(NC[6a]H){1|Cl<1>,1|N<2>,1|N<3>}	114.4460	0.000	1	112.7133	2.319	3	114.1358	1.247	13	114.4631	1.734	558	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:3:	2:2:3:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:N[6]-3:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]N[6a]N[6])(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(N[6]C[6]2)	C[6a](N[6a]C[6a])2(NC[6a]H)	N[6a](C[6a]N[6a]N[6])(C[6a]N[6a]N){3|C<3>}	C[6a](N[6a]C[6a])2(N[6]C[6]2){1|N<2>,2|C<3>,2|H<1>,2|N<3>}	C[6a](N[6a]C[6a])2(NC[6a]H){1|N<2>,2|N<3>}	111.8470	0.368	2	112.7133	2.319	3	114.1358	1.247	13	114.4631	1.734	558	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:3:	2:2:3:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:N[6]-3:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]N[6a]N[6])(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(N[6]C[6]2)	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]N[6a]N[6])(C[6a]N[6a]N){1|C<3>,2|C<4>}	C[6a](N[6a]C[6a])2(N[6]C[6]2){1|N<2>,2|C<4>,2|N<3>,4|H<1>}	C[6a](N[6a]C[6a])2(NHH){1|N<2>,2|N<3>}	114.4002	0.471	4	114.4720	0.192	5	114.1358	1.247	13	114.4631	1.734	558	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:3:	2:2:3:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:N[6]-3:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]N[6a]N[6])(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(N[6]C[6]2)	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]N[6a]N[6])(C[6a]N[6a]N){1|C<3>,2|C<4>}	C[6a](N[6a]C[6a])2(N[6]C[6]2){1|N<3>,2|C<4>,2|N<2>,4|H<1>}	C[6a](N[6a]C[6a])2(NHH){1|N<3>,2|N<2>}	114.7590	0.000	1	114.4720	0.192	5	114.1358	1.247	13	114.4631	1.734	558	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:3:	2:2:3:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:N[6]-3:	N[6a]-2:N[6a]-2:N[6]-3:	N[6a](C[6a]N[6a]N[6])2	C[6a](N[6a]C[6a])2(N[6]C[6]2)	C[6a](N[6a]C[6a])2(N[6]C[6]2)	N[6a](C[6a]N[6a]N[6])2{1|C<3>,4|C<4>}	C[6a](N[6a]C[6a])2(N[6]C[6]2){1|Cl<1>,1|N<2>,1|N<3>,2|C<4>,4|H<1>}	C[6a](N[6a]C[6a])2(N[6]C[6]2){1|Cl<1>,1|N<2>,1|N<3>,2|C<4>,4|H<1>}	115.3493	0.255	3	114.5859	0.591	7	114.5859	0.591	7	114.4631	1.734	558	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:3:	2:2:3:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:N[6]-3:	N[6a]-2:N[6a]-2:N[6]-3:	N[6a](C[6a]N[6a]N[6])2	C[6a](N[6a]C[6a])2(N[6]C[6]2)	C[6a](N[6a]C[6a])2(N[6]C[6]2)	N[6a](C[6a]N[6a]N[6])2{1|C<3>,4|C<4>}	C[6a](N[6a]C[6a])2(N[6]C[6]2){1|N<2>,2|C<4>,2|N<3>,4|H<1>}	C[6a](N[6a]C[6a])2(N[6]C[6]2){1|N<2>,2|C<4>,2|N<3>,4|H<1>}	114.0132	0.343	4	114.5859	0.591	7	114.5859	0.591	7	114.4631	1.734	558	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:3:	2:2:3:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:P-3:	N[6a]-2:N[6a]-2:P-3:	N[6a](C[6a]N[6a]P)2	C[6a](N[6a]C[6a])2(PC[6a]2)	C[6a](N[6a]C[6a])2(PC[6a]2)	N[6a](C[6a]N[6a]P)2{1|C<3>}	C[6a](N[6a]C[6a])2(PC[6a]2){1|N<2>,2|P<3>}	C[6a](N[6a]C[6a])2(PC[6a]2){1|N<2>,2|P<3>}	114.9692	0.229	6	114.9692	0.052	6	114.9692	0.052	6	114.4631	1.734	558	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:3:	2:2:3:	C[6a]-3:C[6a]-3:	N[6a]-2:O[6a]-2:N[5]-3:	N[6a]-2:N[6a]-2:N[6]-3:	N[6a](C[6a]N[6a]N[6])(C[6a]O[6a]N[5])	C[6a](N[6a]C[6a])(O[6a]C[6a])(N[5]C[5]2)	C[6a](N[6a]C[6a])2(N[6]C[6]2)	N[6a](C[6a]N[6a]N[6])(C[6a]O[6a]N[5]){1|C<3>,4|C<4>}	C[6a](N[6a]C[6a])(O[6a]C[6a])(N[5]C[5]2){1|N<2>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	C[6a](N[6a]C[6a])2(N[6]C[6]2){1|N<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	113.9970	0.000	1	113.9970	0.000	1	113.9970	0.000	1	114.4631	1.734	558	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:3:	2:2:4:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:C-4:	N[6a](C[6a]N[6a]C)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(NC[6]C)	C[6a](N[6a]C[6a])2(CCHH)	N[6a](C[6a]N[6a]C)(C[6a]N[6a]N){1|C<3>}	C[6a](N[6a]C[6a])2(NC[6]C){1|C<4>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(CCHH){1|N<2>,2|N<3>}	113.8525	0.011	2	113.8525	0.000	2	114.4071	0.452	20	115.0248	3.654	28	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:3:	2:2:4:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:C-4:	N[6a](C[6a]N[6a]C)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(NHH)	C[6a](N[6a]C[6a])2(CH3)	N[6a](C[6a]N[6a]C)(C[6a]N[6a]N){1|C<3>}	C[6a](N[6a]C[6a])2(NHH){1|C<4>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(CH3){1|N<2>,2|N<3>}	114.6377	0.497	16	114.6377	0.247	16	114.4071	0.452	20	115.0248	3.654	28	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:3:	2:2:4:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:C-4:	N[6a](C[6a]N[6a]C)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(NHH)	C[6a](N[6a]C[6a])2(CN[5a]HH)	N[6a](C[6a]N[6a]C)(C[6a]N[6a]N){1|C<3>}	C[6a](N[6a]C[6a])2(NHH){1|C<4>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(CN[5a]HH){1|N<2>,2|N<3>}	113.1170	0.321	2	113.1170	0.103	2	114.4071	0.452	20	115.0248	3.654	28	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:3:	2:2:4:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:N-4:	N[6a](C[6a]N[6a]N)2	C[6a](N[6a]C[6a])2(NHH)	C[6a](N[6a]C[6a])2(NH3)	N[6a](C[6a]N[6a]N)2{1|C<3>}	C[6a](N[6a]C[6a])2(NHH){1|N<2>,1|N<3>,1|N<4>}	C[6a](N[6a]C[6a])2(NH3){1|N<2>,2|N<3>}	116.5689	3.008	8	116.5689	9.050	8	116.5689	9.050	8	115.0248	3.654	28	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:C[5]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)	C[6a](N[6a]C[6a])2(C[5]N[5]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|H<1>,2|N<3>}	C[6a](N[6a]C[6a])2(C[5]N[5]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>}	114.9845	0.305	2	114.9845	0.093	2	114.9845	0.093	2	115.6966	4.335	35	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:C[6]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)	C[6a](N[6a]C[6a])2(C[6]N[6]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(C[6]N[6]2){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>}	115.9310	0.102	2	115.9310	0.010	2	115.9310	0.010	2	115.6966	4.335	35	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:Cl-1:	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(NC[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]N){1|C<3>,1|H<1>}	C[6a](N[6a]C[6a])2(NC[6a]H){1|Cl<1>,1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl){1|N<2>,2|N<3>}	113.6360	0.000	1	113.6360	0.000	1	113.6360	0.000	1	115.6966	4.335	35	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])(N[6a]N[6a])(NHH)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|H<1>,1|N<2>}	C[6a](N[6a]C[6a])(N[6a]N[6a])(NHH){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|N<2>,1|N<3>}	115.0148	0.203	5	115.0148	0.041	5	115.0148	0.041	5	115.6966	4.335	35	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:N[5]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)	C[6a](N[6a]C[6a])2(N[5]C[5]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H){1|H<1>,3|C<3>}	C[6a](N[6a]C[6a])2(N[5]C[5]2){1|Pd<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,1|N<2>,1|N<3>}	114.2584	0.983	10	114.2584	0.966	10	114.2584	0.966	10	115.6966	4.335	35	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:N[6]-3:	C[6,6a]-3:N[6a]-2:H-1:	N[6a](C[6a]N[6a]N[6])(C[6a]C[6,6a]H)	C[6a](N[6a]C[6,6a])(N[6a]C[6a])(N[6]C[6]2)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(H)	N[6a](C[6a]N[6a]N[6])(C[6a]C[6,6a]H){2|C<3>,2|C<4>}	C[6a](N[6a]C[6,6a])(N[6a]C[6a])(N[6]C[6]2){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(H){1|C<3>,1|N<2>,1|O<2>,2|N<3>}	115.6660	0.000	1	115.6660	0.000	1	115.6660	0.000	1	115.6966	4.335	35	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:N[6]-3:	C[6a]-3:N[6a]-2:Cl-1:	N[6a](C[6a]N[6a]N[6])(C[6a]C[6a]Cl)	C[6a](N[6a]C[6a])2(N[6]C[6]2)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(Cl)	N[6a](C[6a]N[6a]N[6])(C[6a]C[6a]Cl){1|C<3>,1|N<3>,2|C<4>}	C[6a](N[6a]C[6a])2(N[6]C[6]2){1|Cl<1>,1|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(Cl){1|H<1>,1|N<2>,1|N<3>}	117.6053	0.345	3	117.6053	0.119	3	117.6053	0.119	3	115.6966	4.335	35	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:N[6]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)	C[6a](N[6a]C[6a])2(N[6]C[6]2)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	N[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H){1|Br<1>,1|C<3>,2|C<4>}	C[6a](N[6a]C[6a])2(N[6]C[6]2){1|C<3>,1|S<2>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|N<2>,1|N<3>,1|S<2>}	115.4638	0.447	4	115.4638	0.200	4	115.5439	0.101	8	115.6966	4.335	35	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:N[6]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)	C[6a](N[6a]C[6a])2(N[6]C[6]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H){1|C<3>,1|H<1>,2|C<4>}	C[6a](N[6a]C[6a])2(N[6]C[6]2){1|Si<4>,1|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|Si<4>,1|N<2>,1|N<3>}	115.8230	0.000	1	115.8230	0.000	1	115.5439	0.101	8	115.6966	4.335	35	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:N[6]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)	C[6a](N[6a]C[6a])2(N[6]C[6]2)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>}	C[6a](N[6a]C[6a])2(N[6]C[6]2){1|Cl<1>,1|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|Cl<1>,1|N<2>,1|N<3>}	115.5577	0.034	3	115.5577	0.001	3	115.5439	0.101	8	115.6966	4.335	35	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:N[6]-3:	N[5,6a]-3:N[6a]-2:O-1:	N[6a](C[6a]N[6a]N[6])(C[6a]N[5,6a]O)	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(N[6]C[6]2)	C[6a](N[5,6a]C[5,6a]C[5])(N[6a]C[6a])(O)	N[6a](C[6a]N[6a]N[6])(C[6a]N[5,6a]O){2|C<3>,2|C<4>}	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(N[6]C[6]2){1|O<1>,2|C<4>,2|N<3>,4|H<1>}	C[6a](N[5,6a]C[5,6a]C[5])(N[6a]C[6a])(O){1|C<3>,1|C<4>,1|N<2>,2|N<3>}	118.8980	0.000	1	118.8980	0.000	1	118.8980	0.000	1	115.6966	4.335	35	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	N[6a]-2:S[6a]-2:N-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)(C[6a]S[6a]N)	C[6a](N[6a]C[6a])(S[6a]C[6a])(NC[6a]C)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]S[6a]N){1|C<3>,1|H<1>}	C[6a](N[6a]C[6a])(S[6a]C[6a])(NC[6a]C){1|C<3>,1|H<1>,1|O<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|N<3>,1|O<1>,1|S<2>}	121.3930	0.000	1	121.3930	0.000	1	121.3930	0.000	1	115.6966	4.335	35	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	N[6a]-2:S[6a]-2:N-3:	C[6a]-3:N[6a]-2:O-1:	N[6a](C[6a]C[6a]O)(C[6a]S[6a]N)	C[6a](N[6a]C[6a])(S[6a]C[6a])(NCN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]O)(C[6a]S[6a]N){1|C<3>,1|H<1>}	C[6a](N[6a]C[6a])(S[6a]C[6a])(NCN){1|C<3>,1|H<1>,1|O<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(O){1|H<1>,1|N<3>,1|S<2>}	123.1330	0.000	1	123.1330	0.000	1	123.1330	0.000	1	115.6966	4.335	35	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:3:	3:2:2:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:N-3:	C[6a,6a]-3:N[6a]-2:O-2:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(NC[6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N){2|C<3>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(NC[6a]C){1|C<3>,1|N<3>,1|O<2>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(OC){2|N<2>,3|N<3>}	116.0480	0.412	2	116.0480	0.169	2	116.0480	0.169	2	116.0480	0.169	2	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:3:	3:2:3:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:N[6]-3:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]N[6a]N[6])(C[6a]C[6a]N)	C[6a](N[6a]C[6a])2(N[6]C[6]2)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH)	N[6a](C[6a]N[6a]N[6])(C[6a]C[6a]N){1|C<3>,1|N<2>,2|C<4>}	C[6a](N[6a]C[6a])2(N[6]C[6]2){1|C<3>,2|C<4>,2|N<3>,4|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH){1|N<2>,2|N<3>}	116.5525	1.149	2	116.5525	1.320	2	116.5525	1.320	2	116.5525	1.320	2	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:3:	3:2:4:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:N[5]-3:	C[6,6a]-3:N[6a]-2:C-4:	N[6a](C[6a]N[6a]N[5])(C[6a]C[6,6a]C)	C[6a](N[6a]C[6,6a])(N[6a]C[6a])(N[5]C[5]2)	C[6a](C[6,6a]C[6,6a]S[6])(N[6a]C[6a])(CH3)	N[6a](C[6a]N[6a]N[5])(C[6a]C[6,6a]C){1|C<3>,1|S<2>,2|C<4>}	C[6a](N[6a]C[6,6a])(N[6a]C[6a])(N[5]C[5]2){1|C<3>,1|N<3>,3|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]S[6])(N[6a]C[6a])(CH3){1|C<3>,1|N<2>,2|N<3>}	116.1960	0.000	1	116.1960	0.000	1	116.1960	0.000	1	116.2113	0.317	3	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:3:	3:2:4:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:N[5]-3:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]N[6a]N[5])(C[6a]C[6a]C)	C[6a](N[6a]C[6a])2(N[5]C[5]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]N[6a]N[5])(C[6a]C[6a]C){1|C<3>,1|H<1>,2|C<4>}	C[6a](N[6a]C[6a])2(N[5]C[5]2){1|C<3>,1|N<3>,3|C<4>,4|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|N<2>,2|N<3>}	115.6560	0.000	1	115.6560	0.000	1	115.6560	0.000	1	116.2113	0.317	3	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:3:	3:2:4:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:N[6]-3:	C[6a]-3:N[6a]-2:Si-4:	N[6a](C[6a]N[6a]N[6])(C[6a]C[6a]Si)	C[6a](N[6a]C[6a])2(N[6]C[6]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SiC3)	N[6a](C[6a]N[6a]N[6])(C[6a]C[6a]Si){1|C<3>,1|H<1>,2|C<4>}	C[6a](N[6a]C[6a])2(N[6]C[6]2){1|Si<4>,1|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SiC3){1|H<1>,1|N<2>,1|N<3>}	116.7820	0.000	1	116.7820	0.000	1	116.7820	0.000	1	116.2113	0.317	3	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:4:	2:2:1:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:C-4:	N[6a]-2:N[6a]-2:Cl-1:	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]C)	C[6a](N[6a]C[6a])2(CH3)	C[6a](N[6a]C[6a])2(Cl)	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]C){1|C<3>}	C[6a](N[6a]C[6a])2(CH3){1|Cl<1>,1|N<2>,1|O<2>}	C[6a](N[6a]C[6a])2(Cl){1|C<4>,1|N<2>,1|O<2>}	113.6110	0.000	1	113.6110	0.000	1	113.6110	0.000	1	113.6110	0.000	1	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:4:	2:2:2:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:C-4:	N[6a]-2:N[6a]-2:N-2:	N[6a](C[6a]N[6a]C)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(CH3)	C[6a](N[6a]C[6a])2(NH)	N[6a](C[6a]N[6a]C)(C[6a]N[6a]N){1|C<3>}	C[6a](N[6a]C[6a])2(CH3){1|C<4>,2|N<2>}	C[6a](N[6a]C[6a])2(NH){1|N<2>,2|C<4>}	117.2010	0.314	2	117.2010	0.099	2	117.2010	0.099	2	115.8528	3.235	8	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:4:	2:2:2:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:C-4:	N[6a]-2:N[6a]-2:O-2:	N[6a](C[6a]N[6a]C)(C[6a]N[6a]O)	C[6a](N[6a]C[6a])2(CH3)	C[6a](N[6a]C[6a])2(OC)	N[6a](C[6a]N[6a]C)(C[6a]N[6a]O){1|C<3>}	C[6a](N[6a]C[6a])2(CH3){1|Cl<1>,1|N<2>,1|O<2>}	C[6a](N[6a]C[6a])2(OC){1|Cl<1>,1|C<4>,1|N<2>}	114.5650	0.000	1	115.4033	3.539	6	115.4033	3.539	6	115.8528	3.235	8	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:4:	2:2:2:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:C-4:	N[6a]-2:N[6a]-2:O-2:	N[6a](C[6a]N[6a]C)(C[6a]N[6a]O)	C[6a](N[6a]C[6a])2(CH3)	C[6a](N[6a]C[6a])2(OC)	N[6a](C[6a]N[6a]C)(C[6a]N[6a]O){1|C<3>}	C[6a](N[6a]C[6a])2(CH3){1|N<2>,1|N<3>,1|O<2>}	C[6a](N[6a]C[6a])2(OC){1|C<4>,1|N<2>,1|N<3>}	115.5710	2.053	5	115.4033	3.539	6	115.4033	3.539	6	115.8528	3.235	8	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:4:	2:2:3:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:C-4:	N[6a]-2:N[6a]-2:C-3:	N[6a](C[6a]N[6a]C)2	C[6a](N[6a]C[6a])2(CH3)	C[6a](N[6a]C[6a])2(CCH)	N[6a](C[6a]N[6a]C)2{1|C<3>}	C[6a](N[6a]C[6a])2(CH3){1|C<3>,1|C<4>,1|N<2>}	C[6a](N[6a]C[6a])2(CCH){1|N<2>,2|C<4>}	114.1740	0.167	2	114.1740	0.028	2	114.1740	0.028	2	114.9085	2.111	16	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:4:	2:2:3:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:C-4:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]N[6a]C)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(CCHH)	C[6a](N[6a]C[6a])2(NHS)	N[6a](C[6a]N[6a]C)(C[6a]N[6a]N){1|C<3>}	C[6a](N[6a]C[6a])2(CCHH){1|C<4>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(NHS){1|N<2>,2|C<4>}	114.0025	0.050	2	114.0025	0.003	2	115.3604	2.039	11	114.9085	2.111	16	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:4:	2:2:3:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:C-4:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]N[6a]C)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(CH3)	C[6a](N[6a]C[6a])2(NCC)	N[6a](C[6a]N[6a]C)(C[6a]N[6a]N){1|C<3>}	C[6a](N[6a]C[6a])2(CH3){1|N<2>,1|N<3>,1|O<2>}	C[6a](N[6a]C[6a])2(NCC){1|C<4>,1|N<2>,1|O<2>}	118.9220	0.000	1	118.9220	0.000	1	115.3604	2.039	11	114.9085	2.111	16	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:4:	2:2:3:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:C-4:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]N[6a]C)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(CH3)	C[6a](N[6a]C[6a])2(NCH)	N[6a](C[6a]N[6a]C)(C[6a]N[6a]N){1|C<3>}	C[6a](N[6a]C[6a])2(CH3){1|N<2>,1|N<3>,1|O<2>}	C[6a](N[6a]C[6a])2(NCH){1|C<4>,1|N<2>,1|O<2>}	115.1407	1.118	4	115.1407	1.251	4	115.3604	2.039	11	114.9085	2.111	16	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:4:	2:2:3:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:C-4:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]N[6a]C)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(CH3)	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]N[6a]C)(C[6a]N[6a]N){1|C<3>}	C[6a](N[6a]C[6a])2(CH3){1|C<4>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(NHH){1|N<2>,2|C<4>}	115.3685	0.151	4	115.3685	0.023	4	115.3604	2.039	11	114.9085	2.111	16	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:4:	2:2:3:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:N-4:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]N[6a]N)2	C[6a](N[6a]C[6a])2(NH3)	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]N[6a]N)2{1|C<3>}	C[6a](N[6a]C[6a])2(NH3){1|C<3>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(NHH){1|C<3>,1|N<2>,1|N<4>}	115.3340	0.000	1	115.3340	0.000	1	113.7413	1.917	3	114.9085	2.111	16	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:4:	2:2:3:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:N-4:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]N[6a]N)2	C[6a](N[6a]C[6a])2(NNiCH)	C[6a](N[6a]C[6a])2(NCC)	N[6a](C[6a]N[6a]N)2{1|C<3>}	C[6a](N[6a]C[6a])2(NNiCH){1|N<2>,1|N<3>,1|N<4>}	C[6a](N[6a]C[6a])2(NCC){1|N<2>,2|N<4>}	112.9450	0.170	2	112.9450	0.029	2	113.7413	1.917	3	114.9085	2.111	16	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:4:	2:2:4:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:C-4:	N[6a]-2:N[6a]-2:C-4:	N[6a](C[6a]N[6a]C)2	C[6a](N[6a]C[6a])2(CCHH)	C[6a](N[6a]C[6a])2(CCHH)	N[6a](C[6a]N[6a]C)2{1|C<3>}	C[6a](N[6a]C[6a])2(CCHH){1|C<4>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(CCHH){1|C<4>,1|N<2>,1|N<3>}	115.2120	0.000	1	115.2120	0.000	1	114.6702	0.707	8	114.5778	1.045	17	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:4:	2:2:4:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:C-4:	N[6a]-2:N[6a]-2:C-4:	N[6a](C[6a]N[6a]C)2	C[6a](N[6a]C[6a])2(CH3)	C[6a](N[6a]C[6a])2(CH3)	N[6a](C[6a]N[6a]C)2{1|C<3>}	C[6a](N[6a]C[6a])2(CH3){1|C<3>,1|C<4>,1|N<2>}	C[6a](N[6a]C[6a])2(CH3){1|C<3>,1|C<4>,1|N<2>}	115.1400	0.000	1	114.9667	0.755	4	114.6702	0.707	8	114.5778	1.045	17	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:4:	2:2:4:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:C-4:	N[6a]-2:N[6a]-2:C-4:	N[6a](C[6a]N[6a]C)2	C[6a](N[6a]C[6a])2(CH3)	C[6a](N[6a]C[6a])2(CH3)	N[6a](C[6a]N[6a]C)2{1|C<3>}	C[6a](N[6a]C[6a])2(CH3){1|C<4>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(CH3){1|C<4>,1|N<2>,1|N<3>}	114.3030	0.147	2	114.9667	0.755	4	114.6702	0.707	8	114.5778	1.045	17	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:4:	2:2:4:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:C-4:	N[6a]-2:N[6a]-2:C-4:	N[6a](C[6a]N[6a]C)2	C[6a](N[6a]C[6a])2(CH3)	C[6a](N[6a]C[6a])2(CH3)	N[6a](C[6a]N[6a]C)2{1|C<3>}	C[6a](N[6a]C[6a])2(CH3){1|C<4>,2|N<2>}	C[6a](N[6a]C[6a])2(CH3){1|C<4>,2|N<2>}	116.1210	0.000	1	114.9667	0.755	4	114.6702	0.707	8	114.5778	1.045	17	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:4:	2:2:4:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:C-4:	N[6a]-2:N[6a]-2:C-4:	N[6a](C[6a]N[6a]C)2	C[6a](N[6a]C[6a])2(CN[5a]3)	C[6a](N[6a]C[6a])2(CN[5a]3)	N[6a](C[6a]N[6a]C)2{1|C<3>}	C[6a](N[6a]C[6a])2(CN[5a]3){1|N<2>,2|C<4>}	C[6a](N[6a]C[6a])2(CN[5a]3){1|N<2>,2|C<4>}	114.0943	0.722	3	114.0943	0.521	3	114.6702	0.707	8	114.5778	1.045	17	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:4:	2:2:4:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:N-4:	N[6a]-2:N[6a]-2:N-4:	N[6a](C[6a]N[6a]N)2	C[6a](N[6a]C[6a])2(NNiCH)	C[6a](N[6a]C[6a])2(NNiCH)	N[6a](C[6a]N[6a]N)2{1|C<3>}	C[6a](N[6a]C[6a])2(NNiCH){1|N<2>,1|N<3>,1|N<4>}	C[6a](N[6a]C[6a])2(NNiCH){1|N<2>,1|N<3>,1|N<4>}	111.7790	0.000	1	111.7790	0.000	1	111.7790	0.000	1	114.5778	1.045	17	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:2:4:	2:2:4:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:P-4:	N[6a]-2:N[6a]-2:P-4:	N[6a](C[6a]N[6a]P)2	C[6a](N[6a]C[6a])2(PC[6a]2Cu)	C[6a](N[6a]C[6a])2(PC[6a]2Cu)	N[6a](C[6a]N[6a]P)2{1|C<3>}	C[6a](N[6a]C[6a])2(PC[6a]2Cu){1|N<2>,2|P<4>}	C[6a](N[6a]C[6a])2(PC[6a]2Cu){1|N<2>,2|P<4>}	114.8351	0.691	8	114.8351	0.477	8	114.8351	0.477	8	114.5778	1.045	17	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:3:2:	2:2:2:	C[6a]-3:C[6a]-3:	S-2:N[6a]-3:N[6a]-2:	S-2:N[6a]-2:N[6a]-2:	N[6a](C[6a]N[6a]S)2	C[6a](SB[5x3,5x5,20x6])(N[6a]C[6a]H)(N[6a]C[6a])	C[6a](SB[5x3,5x5,20x6])(N[6a]C[6a])2	N[6a](C[6a]N[6a]S)2{1|C<3>,1|H<1>}	C[6a](SB[5x3,5x5,20x6])(N[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,1|O<1>,1|S<2>}	C[6a](SB[5x3,5x5,20x6])(N[6a]C[6a])2{1|N<3>,1|O<1>,1|S<2>}	114.7403	0.109	3	114.7403	0.012	3	114.7403	0.012	3	114.7403	0.012	3	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:N[6a]-2:	C[5a,6a]-3:N[6a]-2:Cl-1:	N[6a](C[6a]C[5a,6a]Cl)(C[6a]C[6a]N[6a])	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a])(Cl)	N[6a](C[6a]C[5a,6a]Cl)(C[6a]C[6a]N[6a]){1|S<2>,3|C<3>}	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|Cl<1>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a])(Cl){1|N<2>,3|C<3>}	116.8870	0.000	1	116.8870	0.000	1	116.8870	0.000	1	117.8330	6.371	12	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]H){4|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|H<1>,2|I<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H){1|H<1>,1|N<2>,3|C<3>}	115.4030	0.000	1	114.4665	1.754	2	114.4665	1.754	2	117.8330	6.371	12	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]H){4|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]){2|C<3>,2|N<2>,3|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H){1|H<1>,2|C<3>,2|N<2>}	113.5300	0.000	1	114.4665	1.754	2	114.4665	1.754	2	117.8330	6.371	12	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:N[6a]-2:	N[5,6a]-3:N[6a]-2:S-1:	N[6a](C[6a]C[6a]N[6a])(C[6a]N[5,6a]S)	C[6a](N[6a]C[5,6a])(C[6a]C[6a]2)(N[6a]C[6a])	C[6a](N[5,6a]C[5,6a]C[5])(N[6a]C[6a])(S)	N[6a](C[6a]C[6a]N[6a])(C[6a]N[5,6a]S){4|C<3>}	C[6a](N[6a]C[5,6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|N<3>,1|S<1>,1|S<2>,2|C<3>,2|H<1>}	C[6a](N[5,6a]C[5,6a]C[5])(N[6a]C[6a])(S){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	120.1670	0.000	1	120.1670	0.000	1	120.1670	0.000	1	117.8330	6.371	12	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	O[6a]-2:C[6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:O-1:	N[6a](C[6a]C[6a]O[6a])(C[6a]C[6a,6a]O)	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]O[6a])(C[6a]C[6a,6a]O){4|C<3>}	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(O){1|H<1>,1|O<2>,3|C<3>}	120.6407	0.461	3	120.5770	0.158	4	120.5770	0.158	4	117.8330	6.371	12	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	O[6a]-2:C[6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:O-1:	N[6a](C[6a]C[6a]O[6a])(C[6a]C[6a,6a]O)	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]O[6a])(C[6a]C[6a,6a]O){4|C<3>}	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(O){1|H<1>,1|O<2>,3|C<3>}	120.3860	0.000	1	120.5770	0.158	4	120.5770	0.158	4	117.8330	6.371	12	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	S-2:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](SC[3x3,4,3x5,14x6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|C<3>,2|H<1>}	C[6a](SC[3x3,4,3x5,14x6])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|S<2>}	116.6203	0.415	3	116.6203	0.172	3	116.4253	0.267	4	117.8330	6.371	12	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	S-2:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](SC[5x3,5x5,20x6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|C<3>,2|H<1>}	C[6a](SC[5x3,5x5,20x6])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|S<2>}	115.8400	0.000	1	115.8400	0.000	1	116.4253	0.267	4	117.8330	6.371	12	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:3:2:	3:2:2:	C[6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:O-2:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O){4|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(OC){1|H<1>,1|N<2>,3|C<3>}	116.5267	0.383	3	116.5267	0.146	3	116.5267	0.146	3	116.6782	0.190	4	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:3:2:	3:2:2:	C[6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:S-2:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]S)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(SC)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]S){4|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|S<2>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(SC){1|H<1>,1|N<2>,3|C<3>}	117.1330	0.000	1	117.1330	0.000	1	117.1330	0.000	1	116.6782	0.190	4	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:3:2:	3:2:3:	C[6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]N)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NPdC)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]N){4|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NPdC){1|N<2>,3|C<3>}	114.4500	0.000	1	114.4500	0.000	1	114.4500	0.000	1	114.4500	0.000	1	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:3:2:	3:2:4:	C[6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:N[6a]-2:	C[5a,6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[5a,6a]C)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[5a,6a]C){1|O<2>,3|C<3>}	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(N[6a]C[6a])(CH3){1|N<2>,3|C<3>}	119.2300	0.000	1	119.2300	0.000	1	119.2300	0.000	1	117.9615	3.218	2	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	2:3:2:	3:2:4:	C[6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:N[6a]-2:	C[6,6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6,6a]C)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(CCFF)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6,6a]C){1|C<4>,3|C<3>}	C[6a](N[6a]C[6,6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(CCFF){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	116.6930	0.000	1	116.6930	0.000	1	116.6930	0.000	1	117.9615	3.218	2	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:1:	C[6a]-3:C[6a]-3:	C[5,6a]-3:N[6a]-2:Cl-1:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[5,6a]Cl)(C[6a]N[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,5])(N[6a]C[6a])(Cl)	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5,6a]Cl)(C[6a]N[6a]H){1|C<3>,1|N<3>}	C[6a](C[5,6a]C[5,6a]N[5,5])(N[6a]C[6a])(Cl){1|H<1>,1|N<2>,1|N<3>,2|C<4>}	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|N<3>}	116.9410	0.450	4	116.9410	0.202	4	116.9410	0.202	4	115.4624	2.271	342	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:1:	C[6a]-3:C[6a]-3:	C[5,6a]-3:N[6a]-2:H-1:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[5,6a]H)(C[6a]N[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(H)	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5,6a]H)(C[6a]N[6a]H){1|C<3>,1|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(H){1|N<2>,2|H<1>,3|C<3>}	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(H){1|H<1>,2|C<3>}	116.9460	0.307	2	116.9460	0.094	2	117.9718	1.481	4	115.4624	2.271	342	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:1:	C[6a]-3:C[6a]-3:	C[5,6a]-3:N[6a]-2:H-1:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[5,6a]H)(C[6a]N[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(H)	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5,6a]H)(C[6a]N[6a]H){1|C<3>,1|N<3>}	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(H){1|Zn<4>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	118.9975	0.375	2	118.9975	0.141	2	117.9718	1.481	4	115.4624	2.271	342	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:Cl-1:	N[6a]-2:N[6a]-2:Cl-1:	N[6a](C[6a]C[5a,6a]Cl)(C[6a]N[6a]Cl)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(Cl)	N[6a](C[6a]C[5a,6a]Cl)(C[6a]N[6a]Cl){1|C<3>,1|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>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(Cl){1|Cl<1>,1|C<3>,1|N<3>}	116.3908	0.281	11	116.2964	0.107	15	116.2964	0.107	15	115.4624	2.271	342	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:Cl-1:	N[6a]-2:N[6a]-2:Cl-1:	N[6a](C[6a]C[5a,6a]Cl)(C[6a]N[6a]Cl)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(Cl)	N[6a](C[6a]C[5a,6a]Cl)(C[6a]N[6a]Cl){1|C<3>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl){1|Cl<1>,1|C<3>,1|C<4>,2|N<2>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(Cl){1|Cl<1>,1|C<3>,1|N<2>}	116.0813	0.398	3	116.2964	0.107	15	116.2964	0.107	15	115.4624	2.271	342	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:Cl-1:	N[6a]-2:N[6a]-2:Cl-1:	N[6a](C[6a]C[5a,6a]Cl)(C[6a]N[6a]Cl)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(Cl)	N[6a](C[6a]C[5a,6a]Cl)(C[6a]N[6a]Cl){1|C<3>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl){1|Cl<1>,1|C<3>,1|H<1>,2|N<2>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(Cl){1|Cl<1>,1|C<3>,1|N<2>}	115.9030	0.000	1	116.2964	0.107	15	116.2964	0.107	15	115.4624	2.271	342	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:Cl-1:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[5a,6a]Cl)(C[6a]N[6a]H)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(N[6a]C[6a])(Cl)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]Cl)(C[6a]N[6a]H){2|C<3>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(N[6a]C[6a])(Cl){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|N<3>}	116.7080	0.000	1	116.7080	0.000	1	117.1380	0.128	32	115.4624	2.271	342	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:Cl-1:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[5a,6a]Cl)(C[6a]N[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(Cl)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]Cl)(C[6a]N[6a]H){2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(Cl){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|N<3>}	116.3690	0.000	1	116.3690	0.000	1	117.1380	0.128	32	115.4624	2.271	342	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:Cl-1:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[5a,6a]Cl)(C[6a]N[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]Cl)(C[6a]N[6a]H){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>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|N<3>}	117.1762	0.331	24	117.1779	0.108	30	117.1380	0.128	32	115.4624	2.271	342	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:Cl-1:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[5a,6a]Cl)(C[6a]N[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]Cl)(C[6a]N[6a]H){1|C<3>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|N<3>}	116.6060	0.000	1	117.1779	0.108	30	117.1380	0.128	32	115.4624	2.271	342	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:Cl-1:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[5a,6a]Cl)(C[6a]N[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]Cl)(C[6a]N[6a]H){1|C<3>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|N<2>}	117.2287	0.194	3	117.1779	0.108	30	117.1380	0.128	32	115.4624	2.271	342	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:Cl-1:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[5a,6a]Cl)(C[6a]N[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]Cl)(C[6a]N[6a]H){1|C<3>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|Cl<1>,2|C<3>}	117.4085	0.317	2	117.1779	0.108	30	117.1380	0.128	32	115.4624	2.271	342	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:Cl-1:	N[6a]-2:N[6a]-2:I-1:	N[6a](C[6a]C[5a,6a]Cl)(C[6a]N[6a]I)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(I)	N[6a](C[6a]C[5a,6a]Cl)(C[6a]N[6a]I){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|I<1>,1|N<2>,1|N<3>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(I){1|Cl<1>,1|C<3>,1|N<3>}	117.3580	0.000	1	117.3580	0.000	1	117.3580	0.000	1	115.4624	2.271	342	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:H-1:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]H){2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(H){1|N<3>,2|H<1>,2|N<2>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>}	118.2850	0.000	1	117.7410	0.592	2	117.7333	0.296	3	115.4624	2.271	342	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:H-1:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]H){2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(H){1|N<3>,2|H<1>,2|N<2>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	117.1970	0.000	1	117.7410	0.592	2	117.7333	0.296	3	115.4624	2.271	342	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:H-1:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]H){1|C<3>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(H){1|C<3>,2|H<1>,2|N<2>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>}	117.7180	0.000	1	117.7180	0.000	1	117.7333	0.296	3	115.4624	2.271	342	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:I-1:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[5a,6a]I)(C[6a]N[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(I)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]I)(C[6a]N[6a]H){1|C<3>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(I){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|C<3>,1|I<1>,1|N<2>}	117.5710	0.000	1	117.5710	0.000	1	117.5710	0.000	1	115.4624	2.271	342	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:1:	C[6a]-3:C[6a]-3:	C[6,6a]-3:N[6a]-2:Cl-1:	N[6a]-2:N[6a]-2:Cl-1:	N[6a](C[6a]C[6,6a]Cl)(C[6a]N[6a]Cl)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(Cl)	C[6a](N[6a]C[6,6a])(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6,6a]Cl)(C[6a]N[6a]Cl){1|C<3>,1|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(Cl){1|Cl<1>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6a](N[6a]C[6,6a])(N[6a]C[6a])(Cl){1|Cl<1>,1|C<3>,1|O<2>}	113.3030	0.273	2	113.3030	0.074	2	113.3030	0.074	2	115.4624	2.271	342	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:1:	C[6a]-3:C[6a]-3:	C[6,6a]-3:N[6a]-2:Cl-1:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[6,6a]Cl)(C[6a]N[6a]H)	C[6a](C[6,6a]C[6,6a]N[5a,6])(N[6a]C[6a])(Cl)	C[6a](N[6a]C[6,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6,6a]Cl)(C[6a]N[6a]H){1|C<3>,1|N<3>}	C[6a](C[6,6a]C[6,6a]N[5a,6])(N[6a]C[6a])(Cl){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](N[6a]C[6,6a])(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|N<3>}	115.1190	0.000	1	115.1190	0.000	1	115.1190	0.000	1	115.4624	2.271	342	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:1:	C[6a]-3:C[6a]-3:	C[6,6a]-3:N[6a]-2:H-1:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[6,6a]H)(C[6a]N[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(H)	C[6a](N[6a]C[6,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6,6a]H)(C[6a]N[6a]H){1|C<3>,1|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	C[6a](N[6a]C[6,6a])(N[6a]C[6a])(H){1|H<1>,2|C<3>}	115.6480	0.017	2	115.6480	0.000	2	115.6480	0.000	2	115.4624	2.271	342	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:1:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:Cl-1:	N[6a]-2:N[6a]-2:Cl-1:	N[6a](C[6a]C[6a,6a]Cl)(C[6a]N[6a]Cl)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(Cl)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a,6a]Cl)(C[6a]N[6a]Cl){2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(Cl){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(Cl){1|Cl<1>,2|C<3>}	114.3220	0.000	1	114.3220	0.000	1	114.3220	0.000	1	115.4624	2.271	342	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:1:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:H-1:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H){2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H){1|C<3>,2|H<1>,2|N<2>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>}	114.0210	0.000	1	114.7050	0.936	2	114.7050	0.936	2	115.4624	2.271	342	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:1:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:H-1:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H){2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H){1|N<2>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(H){1|H<1>,2|C<3>}	115.3890	0.000	1	114.7050	0.936	2	114.7050	0.936	2	115.4624	2.271	342	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:Cl-1:	N[6a]-2:N[6a]-2:Cl-1:	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]Cl)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Cl)	C[6a](N[6a]C[6a])2(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]Cl){2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Cl){1|Cl<1>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(Cl){1|Cl<1>,1|C<3>,1|N<3>}	112.5710	0.000	1	112.8207	0.413	3	112.9184	0.376	12	115.4624	2.271	342	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:Cl-1:	N[6a]-2:N[6a]-2:Cl-1:	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]Cl)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Cl)	C[6a](N[6a]C[6a])2(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]Cl){2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Cl){1|Cl<1>,2|N<2>}	C[6a](N[6a]C[6a])2(Cl){1|Cl<1>,1|C<3>,1|N<2>}	112.9455	0.856	2	112.8207	0.413	3	112.9184	0.376	12	115.4624	2.271	342	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:Cl-1:	N[6a]-2:N[6a]-2:Cl-1:	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]Cl)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl)	C[6a](N[6a]C[6a])2(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]Cl){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl){1|Cl<1>,1|C<3>,1|N<2>}	C[6a](N[6a]C[6a])2(Cl){1|Cl<1>,2|C<3>}	112.9280	0.461	4	112.8097	0.262	8	112.9184	0.376	12	115.4624	2.271	342	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:Cl-1:	N[6a]-2:N[6a]-2:Cl-1:	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]Cl)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl)	C[6a](N[6a]C[6a])2(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]Cl){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl){1|Cl<1>,1|H<1>,1|N<2>}	C[6a](N[6a]C[6a])2(Cl){1|Cl<1>,1|C<3>,1|H<1>}	113.1680	0.000	1	112.8097	0.262	8	112.9184	0.376	12	115.4624	2.271	342	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:Cl-1:	N[6a]-2:N[6a]-2:Cl-1:	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]Cl)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl)	C[6a](N[6a]C[6a])2(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]Cl){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl){1|Cl<1>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(Cl){1|Cl<1>,1|C<3>,1|N<3>}	111.8110	0.000	1	112.8097	0.262	8	112.9184	0.376	12	115.4624	2.271	342	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:Cl-1:	N[6a]-2:N[6a]-2:Cl-1:	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]Cl)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl)	C[6a](N[6a]C[6a])2(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]Cl){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl){1|Cl<1>,1|Pd<4>,1|N<2>}	C[6a](N[6a]C[6a])2(Cl){1|Cl<1>,1|Pd<4>,1|C<3>}	112.8935	0.023	2	112.8097	0.262	8	112.9184	0.376	12	115.4624	2.271	342	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:Cl-1:	N[6a]-2:N[6a]-2:Cl-1:	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]Cl)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(Cl)	C[6a](N[6a]C[6a])2(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]Cl){1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(Cl){1|Cl<1>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(Cl){1|Cl<1>,1|C<3>,1|N<3>}	114.0810	0.000	1	114.0810	0.000	1	112.9184	0.376	12	115.4624	2.271	342	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:Cl-1:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Cl)	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H){1|C<2>,1|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Cl){1|H<1>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(H){1|Cl<1>,1|C<3>,1|N<3>}	114.8080	0.066	2	114.1594	0.680	9	114.5373	1.584	24	115.4624	2.271	342	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:Cl-1:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Cl)	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H){1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Cl){1|Cl<1>,1|H<1>,1|N<2>}	C[6a](N[6a]C[6a])2(H){2|Cl<1>,1|C<3>}	115.1275	0.442	2	114.1594	0.680	9	114.5373	1.584	24	115.4624	2.271	342	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:Cl-1:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Cl)	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H){1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Cl){1|H<1>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(H){1|Cl<1>,1|C<3>,1|N<3>}	113.5128	0.330	5	114.1594	0.680	9	114.5373	1.584	24	115.4624	2.271	342	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:Cl-1:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl)	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl){1|C<4>,1|H<1>,1|N<2>}	C[6a](N[6a]C[6a])2(H){1|Cl<1>,1|C<3>,1|C<4>}	113.3760	0.000	1	113.8073	0.191	6	114.5373	1.584	24	115.4624	2.271	342	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:Cl-1:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl)	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl){1|H<1>,1|N<2>,1|O<2>}	C[6a](N[6a]C[6a])2(H){1|Cl<1>,1|C<3>,1|O<2>}	113.8936	0.428	5	113.8073	0.191	6	114.5373	1.584	24	115.4624	2.271	342	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:Cl-1:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(Cl)	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H){1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(Cl){1|Cl<1>,1|H<1>,1|N<2>}	C[6a](N[6a]C[6a])2(H){2|Cl<1>,1|C<3>}	115.3070	0.201	2	115.4714	4.291	5	114.5373	1.584	24	115.4624	2.271	342	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:Cl-1:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(Cl)	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H){1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(Cl){1|H<1>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(H){1|Cl<1>,1|C<3>,1|N<3>}	113.9095	0.518	2	115.4714	4.291	5	114.5373	1.584	24	115.4624	2.271	342	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:Cl-1:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(Cl)	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H){1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(Cl){1|H<1>,2|N<2>}	C[6a](N[6a]C[6a])2(H){1|Cl<1>,1|C<3>,1|N<2>}	118.9240	0.000	1	115.4714	4.291	5	114.5373	1.584	24	115.4624	2.271	342	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:Cl-1:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]N[5a])(N[6a]C[6a])(Cl)	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H){1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]N[5a])(N[6a]C[6a])(Cl){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](N[6a]C[6a])2(H){1|Cl<1>,1|C<3>,1|N<3>}	114.4710	0.000	1	114.4710	0.000	1	114.5373	1.584	24	115.4624	2.271	342	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:Cl-1:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(Cl)	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H){1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(Cl){1|Cl<1>,1|H<1>,1|N<2>}	C[6a](N[6a]C[6a])2(H){2|Cl<1>,1|C<3>}	115.9250	0.014	2	115.5963	0.324	3	114.5373	1.584	24	115.4624	2.271	342	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:Cl-1:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(Cl)	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H){1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(Cl){1|H<1>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(H){1|Cl<1>,1|C<3>,1|N<3>}	114.9390	0.000	1	115.5963	0.324	3	114.5373	1.584	24	115.4624	2.271	342	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:F-1:	N[6a]-2:N[6a]-2:F-1:	N[6a](C[6a]C[6a]F)(C[6a]N[6a]F)	C[6a](C[6a]C[6a]Ni)(N[6a]C[6a])(F)	C[6a](N[6a]C[6a])2(F)	N[6a](C[6a]C[6a]F)(C[6a]N[6a]F){1|Ni<4>,1|C<3>}	C[6a](C[6a]C[6a]Ni)(N[6a]C[6a])(F){1|N<2>,2|F<1>}	C[6a](N[6a]C[6a])2(F){1|C<3>,2|F<1>}	112.2987	0.242	4	112.2987	0.058	4	112.2855	0.055	6	115.4624	2.271	342	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:F-1:	N[6a]-2:N[6a]-2:F-1:	N[6a](C[6a]C[6a]F)(C[6a]N[6a]F)	C[6a](C[6a]C[6a]Pd)(N[6a]C[6a])(F)	C[6a](N[6a]C[6a])2(F)	N[6a](C[6a]C[6a]F)(C[6a]N[6a]F){1|Pd<4>,1|C<3>}	C[6a](C[6a]C[6a]Pd)(N[6a]C[6a])(F){1|N<2>,2|F<1>}	C[6a](N[6a]C[6a])2(F){1|C<3>,2|F<1>}	112.2590	0.313	2	112.2590	0.098	2	112.2855	0.055	6	115.4624	2.271	342	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a]-2:N[6a]-2:Cl-1:	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H)	C[6a](N[6a]C[6a])2(Cl)	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H){2|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H){1|Cl<1>,1|H<1>,3|N<2>}	C[6a](N[6a]C[6a])2(Cl){1|C<3>,2|H<1>}	115.0015	0.258	2	115.0015	0.067	2	113.8387	1.011	23	115.4624	2.271	342	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a]-2:N[6a]-2:Cl-1:	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	C[6a](N[6a]C[6a])2(Cl)	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H){1|Br<1>,1|C<3>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|Cl<1>,2|N<2>}	C[6a](N[6a]C[6a])2(Cl){1|C<3>,1|H<1>,1|N<2>}	112.7150	0.000	1	112.7150	0.000	1	113.8387	1.011	23	115.4624	2.271	342	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a]-2:N[6a]-2:Cl-1:	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	C[6a](N[6a]C[6a])2(Cl)	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H){1|C<2>,1|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|Cl<1>,1|H<1>,1|N<2>}	C[6a](N[6a]C[6a])2(Cl){1|C<3>,2|H<1>}	115.2750	0.335	2	114.6760	1.133	3	113.8387	1.011	23	115.4624	2.271	342	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a]-2:N[6a]-2:Cl-1:	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	C[6a](N[6a]C[6a])2(Cl)	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H){2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|Cl<1>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(Cl){1|C<3>,1|H<1>,1|N<3>}	113.4780	0.000	1	114.6760	1.133	3	113.8387	1.011	23	115.4624	2.271	342	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a]-2:N[6a]-2:Cl-1:	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](N[6a]C[6a])2(Cl)	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|Cl<1>,1|C<4>,1|N<2>}	C[6a](N[6a]C[6a])2(Cl){1|C<3>,1|C<4>,1|H<1>}	113.1880	0.000	1	113.3555	0.709	13	113.8387	1.011	23	115.4624	2.271	342	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a]-2:N[6a]-2:Cl-1:	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](N[6a]C[6a])2(Cl)	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|Cl<1>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(Cl){1|C<3>,1|H<1>,1|N<3>}	112.5472	0.367	4	113.3555	0.709	13	113.8387	1.011	23	115.4624	2.271	342	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a]-2:N[6a]-2:Cl-1:	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](N[6a]C[6a])2(Cl)	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|Cl<1>,1|N<2>,1|O<2>}	C[6a](N[6a]C[6a])2(Cl){1|C<3>,1|H<1>,1|O<2>}	113.6203	0.655	7	113.3555	0.709	13	113.8387	1.011	23	115.4624	2.271	342	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a]-2:N[6a]-2:Cl-1:	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](N[6a]C[6a])2(Cl)	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){2|Cl<1>,1|N<2>}	C[6a](N[6a]C[6a])2(Cl){1|Cl<1>,1|C<3>,1|H<1>}	114.9030	0.000	1	113.3555	0.709	13	113.8387	1.011	23	115.4624	2.271	342	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a]-2:N[6a]-2:Cl-1:	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(H)	C[6a](N[6a]C[6a])2(Cl)	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H){1|C<3>,1|I<1>}	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(H){1|Cl<1>,1|H<1>,1|N<2>}	C[6a](N[6a]C[6a])2(Cl){1|C<3>,2|H<1>}	114.8620	0.158	2	114.8620	0.025	2	113.8387	1.011	23	115.4624	2.271	342	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a]-2:N[6a]-2:Cl-1:	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	C[6a](N[6a]C[6a])2(Cl)	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H){1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|Cl<1>,1|H<1>,1|N<2>}	C[6a](N[6a]C[6a])2(Cl){1|C<3>,2|H<1>}	114.0990	0.202	2	114.0990	0.041	2	113.8387	1.011	23	115.4624	2.271	342	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H)	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H){2|C<3>}	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[6a](N[6a]C[6a])2(H){1|C<3>,2|H<1>}	116.0127	0.969	4	115.5368	0.495	11	115.5120	1.027	206	115.4624	2.271	342	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H)	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H){2|C<3>}	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	C[6a](N[6a]C[6a])2(H){1|C<3>,2|H<1>}	115.4420	0.231	2	115.5368	0.495	11	115.5120	1.027	206	115.4624	2.271	342	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H)	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H){2|C<3>}	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6a](N[6a]C[6a])2(H){1|H<1>,2|C<3>}	114.7870	0.000	1	115.5368	0.495	11	115.5120	1.027	206	115.4624	2.271	342	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H)	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H){2|C<3>}	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H){1|N<2>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a])2(H){1|C<3>,2|H<1>}	115.2957	0.346	4	115.5368	0.495	11	115.5120	1.027	206	115.4624	2.271	342	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H)	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H){2|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](N[6a]C[6a])2(H){1|C<3>,1|H<1>,1|N<3>}	114.4400	0.170	2	115.5097	0.274	55	115.5120	1.027	206	115.4624	2.271	342	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H)	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H){2|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H){1|N<2>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a])2(H){1|C<3>,2|H<1>}	115.5533	0.504	49	115.5097	0.274	55	115.5120	1.027	206	115.4624	2.271	342	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H)	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H){2|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H){2|H<1>,3|N<2>}	C[6a](N[6a]C[6a])2(H){1|C<3>,2|H<1>}	115.5113	0.233	4	115.5097	0.274	55	115.5120	1.027	206	115.4624	2.271	342	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]B)(N[6a]C[6a])(H)	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H){1|B<3>,1|C<3>}	C[6a](C[6a]C[6a]B)(N[6a]C[6a])(H){1|N<2>,2|H<1>}	C[6a](N[6a]C[6a])2(H){1|C<3>,2|H<1>}	116.1745	0.045	2	116.1745	0.002	2	115.5120	1.027	206	115.4624	2.271	342	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H){1|Br<1>,1|C<3>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>}	C[6a](N[6a]C[6a])2(H){1|H<1>,2|C<3>}	115.3030	0.125	3	115.6365	0.168	6	115.5120	1.027	206	115.4624	2.271	342	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H){1|Br<1>,1|C<3>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|H<1>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(H){1|C<3>,1|H<1>,1|N<3>}	115.6910	0.000	1	115.6365	0.168	6	115.5120	1.027	206	115.4624	2.271	342	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H){1|Br<1>,1|C<3>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|N<2>,2|H<1>}	C[6a](N[6a]C[6a])2(H){1|C<3>,2|H<1>}	116.1095	0.152	2	115.6365	0.168	6	115.5120	1.027	206	115.4624	2.271	342	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H){1|C<2>,1|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|N<2>,2|H<1>}	C[6a](N[6a]C[6a])2(H){1|C<3>,2|H<1>}	116.0825	0.455	11	115.9447	0.820	30	115.5120	1.027	206	115.4624	2.271	342	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|N<2>,2|H<1>}	C[6a](N[6a]C[6a])2(H){1|C<3>,2|H<1>}	115.7218	0.358	4	115.9447	0.820	30	115.5120	1.027	206	115.4624	2.271	342	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H){2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|N<2>,2|H<1>}	C[6a](N[6a]C[6a])2(H){1|C<3>,2|H<1>}	115.9031	1.221	15	115.9447	0.820	30	115.5120	1.027	206	115.4624	2.271	342	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]C[4])(N[6a]C[6a])(H)	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]C[4])(N[6a]C[6a])(H){1|N<2>,2|C<4>,3|H<1>}	C[6a](N[6a]C[6a])2(H){1|C<3>,2|H<1>}	115.7010	0.027	2	115.7010	0.001	2	115.5120	1.027	206	115.4624	2.271	342	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H)	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H){1|Fe<10>,1|N<2>,2|C<4>,2|H<1>}	C[6a](N[6a]C[6a])2(H){1|C<3>,2|H<1>}	116.2977	0.608	15	116.2977	0.369	15	115.5120	1.027	206	115.4624	2.271	342	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(H)	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H){2|C<3>}	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(H){1|N<2>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a])2(H){1|C<3>,2|H<1>}	115.9313	0.875	4	115.9313	0.765	4	115.5120	1.027	206	115.4624	2.271	342	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(H)	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,1|F<1>}	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(H){1|C<4>,1|H<1>,1|N<2>}	C[6a](N[6a]C[6a])2(H){1|C<3>,1|C<4>,1|H<1>}	114.6690	0.000	1	114.6690	0.000	1	115.5120	1.027	206	115.4624	2.271	342	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>}	C[6a](N[6a]C[6a])2(H){1|H<1>,2|C<3>}	114.8181	0.631	15	115.1546	1.748	72	115.5120	1.027	206	115.4624	2.271	342	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<4>,1|H<1>,1|N<2>}	C[6a](N[6a]C[6a])2(H){1|C<3>,1|C<4>,1|H<1>}	114.2970	0.213	4	115.1546	1.748	72	115.5120	1.027	206	115.4624	2.271	342	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,1|N<2>,1|O<2>}	C[6a](N[6a]C[6a])2(H){1|C<3>,1|H<1>,1|O<2>}	114.1500	0.000	1	115.1546	1.748	72	115.5120	1.027	206	115.4624	2.271	342	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|N<2>,2|H<1>}	C[6a](N[6a]C[6a])2(H){1|C<3>,2|H<1>}	115.3370	1.475	52	115.1546	1.748	72	115.5120	1.027	206	115.4624	2.271	342	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,1|N<2>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|H<1>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(H){1|C<3>,1|H<1>,1|N<3>}	113.9650	0.000	1	115.3415	3.790	2	115.5120	1.027	206	115.4624	2.271	342	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|N<2>,2|H<1>}	C[6a](N[6a]C[6a])2(H){1|C<3>,2|H<1>}	116.7180	0.000	1	115.3415	3.790	2	115.5120	1.027	206	115.4624	2.271	342	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]N[5a])(N[6a]C[6a])(H)	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]N[5a])(N[6a]C[6a])(H){1|N<2>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a])2(H){1|C<3>,2|H<1>}	115.9655	0.260	2	115.9655	0.067	2	115.5120	1.027	206	115.4624	2.271	342	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(H)	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(H){1|N<2>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a])2(H){1|C<3>,2|H<1>}	115.1015	0.202	2	115.1015	0.041	2	115.5120	1.027	206	115.4624	2.271	342	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]Pd)(N[6a]C[6a])(H)	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H){1|Pd<4>,1|C<3>}	C[6a](C[6a]C[6a]Pd)(N[6a]C[6a])(H){1|N<2>,2|H<1>}	C[6a](N[6a]C[6a])2(H){1|C<3>,2|H<1>}	114.4045	0.927	2	114.4045	0.859	2	115.5120	1.027	206	115.4624	2.271	342	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a]-2:N[6a]-2:I-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]I)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	C[6a](N[6a]C[6a])2(I)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]I){1|Br<1>,1|C<3>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|H<1>,1|I<1>,1|N<2>}	C[6a](N[6a]C[6a])2(I){1|C<3>,2|H<1>}	117.1090	0.240	2	117.1090	0.058	2	117.1090	0.058	2	115.4624	2.271	342	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a]-2:N[6a]-2:S-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]S)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](N[6a]C[6a])2(S)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]S){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,1|N<2>,1|S<1>}	C[6a](N[6a]C[6a])2(S){1|C<3>,2|H<1>}	125.1430	0.000	1	125.1430	0.000	1	125.1430	0.000	1	115.4624	2.271	342	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:2:	C[6a]-3:C[6a]-3:	C[5,6a]-3:N[6a]-2:H-1:	N[6a]-2:N[6a]-2:N-2:	N[6a](C[6a]C[5,6a]H)(C[6a]N[6a]N)	C[6a](C[5,6a]C[5,6a]S[5])(N[6a]C[6a])(H)	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(NN)	N[6a](C[6a]C[5,6a]H)(C[6a]N[6a]N){1|C<3>,1|S<4>}	C[6a](C[5,6a]C[5,6a]S[5])(N[6a]C[6a])(H){1|C<4>,1|O<2>,2|N<2>,2|O<1>}	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(NN){1|C<3>,1|C<4>,1|H<1>}	116.3420	0.000	1	116.3420	0.000	1	116.3420	0.000	1	115.3578	1.755	218	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:2:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:Cl-1:	N[6a]-2:N[6a]-2:S-2:	N[6a](C[6a]C[5a,6a]Cl)(C[6a]N[6a]S)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(Cl)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(SC)	N[6a](C[6a]C[5a,6a]Cl)(C[6a]N[6a]S){2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(Cl){1|H<1>,1|N<3>,1|S<2>,2|N<2>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(SC){1|Cl<1>,1|C<3>,1|N<3>}	116.4030	0.000	1	116.4030	0.000	1	116.4030	0.000	1	115.3578	1.755	218	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:2:	C[6a]-3:C[6a]-3:	C[6,6a]-3:N[6a]-2:H-1:	N[6a]-2:N[6a]-2:O-2:	N[6a](C[6a]C[6,6a]H)(C[6a]N[6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(H)	C[6a](N[6a]C[6,6a])(N[6a]C[6a])(OC)	N[6a](C[6a]C[6,6a]H)(C[6a]N[6a]O){2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(H){1|N<2>,2|C<3>,2|O<2>}	C[6a](N[6a]C[6,6a])(N[6a]C[6a])(OC){1|H<1>,2|C<3>}	114.8200	0.000	1	114.8200	0.000	1	114.8200	0.000	1	115.3578	1.755	218	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-1:	N[6a]-2:N[6a]-2:Cl-2:	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C)	C[6a](N[6a]C[6a])2(ClC[6a])	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]C){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C){1|Cl<2>,1|C<4>,1|N<2>}	C[6a](N[6a]C[6a])2(ClC[6a]){1|C<1>,1|C<3>,1|C<4>}	115.5780	0.000	1	115.5780	0.000	1	115.5780	0.000	1	115.3578	1.755	218	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:Cl-1:	N[6a]-2:N[6a]-2:N-2:	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl)	C[6a](N[6a]C[6a])2(NH)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]N){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl){1|Cl<1>,2|N<2>}	C[6a](N[6a]C[6a])2(NH){2|Cl<1>,1|C<3>}	115.2000	0.141	2	115.2000	0.020	2	115.2000	0.020	2	115.3578	1.755	218	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:Cl-1:	N[6a]-2:N[6a]-2:S-2:	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]S)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(Cl)	C[6a](N[6a]C[6a])2(SC)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]S){2|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(Cl){1|Cl<1>,1|N<2>,1|S<2>,2|C<3>}	C[6a](N[6a]C[6a])2(SC){2|Cl<1>,1|C<3>}	115.2360	0.506	4	115.2360	0.257	4	114.4201	0.728	22	115.3578	1.755	218	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:Cl-1:	N[6a]-2:N[6a]-2:S-2:	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]S)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl)	C[6a](N[6a]C[6a])2(SC)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]S){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl){1|Cl<1>,1|N<2>,1|S<2>}	C[6a](N[6a]C[6a])2(SC){2|Cl<1>,1|C<3>}	114.7310	0.228	12	114.2612	0.695	17	114.4201	0.728	22	115.3578	1.755	218	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:Cl-1:	N[6a]-2:N[6a]-2:S-2:	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]S)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl)	C[6a](N[6a]C[6a])2(SC)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]S){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl){1|N<2>,1|N<3>,1|S<2>}	C[6a](N[6a]C[6a])2(SC){1|Cl<1>,1|C<3>,1|N<3>}	113.1240	0.715	4	114.2612	0.695	17	114.4201	0.728	22	115.3578	1.755	218	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:Cl-1:	N[6a]-2:N[6a]-2:S-2:	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]S)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl)	C[6a](N[6a]C[6a])2(SC)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]S){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl){1|S<2>,2|N<2>}	C[6a](N[6a]C[6a])2(SC){1|Cl<1>,1|C<3>,1|N<2>}	113.1720	0.000	1	114.2612	0.695	17	114.4201	0.728	22	115.3578	1.755	218	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:Cl-1:	N[6a]-2:N[6a]-2:S-2:	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]S)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl)	C[6a](N[6a]C[6a])2(SC[6a])	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]S){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl){1|N<2>,1|O<2>,1|S<2>}	C[6a](N[6a]C[6a])2(SC[6a]){1|Cl<1>,1|C<3>,1|O<2>}	113.8580	0.000	1	113.8580	0.000	1	114.4201	0.728	22	115.3578	1.755	218	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a]-2:N[6a]-2:C-2:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]C)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](N[6a]C[6a])2(CC)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]C){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<2>,1|H<1>,1|N<2>}	C[6a](N[6a]C[6a])2(CC){1|C<3>,2|H<1>}	116.0784	0.583	12	116.0784	0.340	12	116.0784	0.340	12	115.3578	1.755	218	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a]-2:N[6a]-2:N-2:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](N[6a]C[6a])2(NC[6a])	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|N<2>}	C[6a](N[6a]C[6a])2(NC[6a]){1|C<3>,2|H<1>}	115.7695	0.279	4	115.7695	0.078	4	116.3134	2.645	46	115.3578	1.755	218	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a]-2:N[6a]-2:N-2:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](N[6a]C[6a])2(NH)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|N<2>}	C[6a](N[6a]C[6a])2(NH){1|C<3>,2|H<1>}	119.4102	2.519	6	119.4102	6.344	6	116.3134	2.645	46	115.3578	1.755	218	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a]-2:N[6a]-2:N-2:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](N[6a]C[6a])2(NS)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<4>,2|N<2>}	C[6a](N[6a]C[6a])2(NS){1|C<3>,1|C<4>,1|H<1>}	115.1345	0.352	14	115.8577	0.596	36	116.3134	2.645	46	115.3578	1.755	218	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a]-2:N[6a]-2:N-2:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](N[6a]C[6a])2(NS)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|N<2>}	C[6a](N[6a]C[6a])2(NS){1|C<3>,2|H<1>}	116.3180	0.588	22	115.8577	0.596	36	116.3134	2.645	46	115.3578	1.755	218	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a]-2:N[6a]-2:O-2:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]B)(N[6a]C[6a])(H)	C[6a](N[6a]C[6a])2(OC)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O){1|B<3>,1|C<3>}	C[6a](C[6a]C[6a]B)(N[6a]C[6a])(H){1|H<1>,1|N<2>,1|O<2>}	C[6a](N[6a]C[6a])2(OC){1|C<3>,2|H<1>}	115.0505	0.504	2	115.0505	0.254	2	114.5184	0.196	27	115.3578	1.755	218	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a]-2:N[6a]-2:O-2:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	C[6a](N[6a]C[6a])2(OC)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O){2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|N<2>,2|O<2>}	C[6a](N[6a]C[6a])2(OC){1|C<3>,1|H<1>,1|O<2>}	113.9670	0.000	1	113.9670	0.000	1	114.5184	0.196	27	115.3578	1.755	218	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a]-2:N[6a]-2:O-2:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](N[6a]C[6a])2(OC[4])	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<4>,1|N<2>,1|O<2>}	C[6a](N[6a]C[6a])2(OC[4]){1|C<3>,1|C<4>,1|H<1>}	115.4200	0.000	1	115.4200	0.000	1	114.5184	0.196	27	115.3578	1.755	218	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a]-2:N[6a]-2:O-2:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](N[6a]C[6a])2(OC[6a])	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|N<2>,1|O<2>}	C[6a](N[6a]C[6a])2(OC[6a]){1|H<1>,2|C<3>}	114.0860	0.703	2	114.4569	0.140	23	114.5184	0.196	27	115.3578	1.755	218	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a]-2:N[6a]-2:O-2:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](N[6a]C[6a])2(OC[6a])	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,1|N<2>,1|O<2>}	C[6a](N[6a]C[6a])2(OC[6a]){1|C<3>,2|H<1>}	114.5433	0.249	20	114.4569	0.140	23	114.5184	0.196	27	115.3578	1.755	218	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a]-2:N[6a]-2:O-2:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](N[6a]C[6a])2(OC[6a])	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|N<2>,1|N<3>,1|O<2>}	C[6a](N[6a]C[6a])2(OC[6a]){1|C<3>,1|H<1>,1|N<3>}	113.4710	0.000	1	114.4569	0.140	23	114.5184	0.196	27	115.3578	1.755	218	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a]-2:N[6a]-2:S-2:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]S)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](N[6a]C[6a])2(SC)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]S){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|N<2>,1|S<2>}	C[6a](N[6a]C[6a])2(SC){1|H<1>,2|C<3>}	114.3998	0.713	19	114.9967	0.786	70	115.1729	1.332	100	115.3578	1.755	218	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a]-2:N[6a]-2:S-2:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]S)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](N[6a]C[6a])2(SC)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]S){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,1|N<2>,1|S<2>}	C[6a](N[6a]C[6a])2(SC){1|C<3>,2|H<1>}	115.2537	0.852	46	114.9967	0.786	70	115.1729	1.332	100	115.3578	1.755	218	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a]-2:N[6a]-2:S-2:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]S)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](N[6a]C[6a])2(SC)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]S){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|N<2>,1|N<3>,1|S<2>}	C[6a](N[6a]C[6a])2(SC){1|C<3>,1|H<1>,1|N<3>}	114.9004	0.798	5	114.9967	0.786	70	115.1729	1.332	100	115.3578	1.755	218	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a]-2:N[6a]-2:S-2:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]S)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](N[6a]C[6a])2(SC[6a])	N[6a](C[6a]C[6a]H)(C[6a]N[6a]S){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,1|N<2>,1|S<2>}	C[6a](N[6a]C[6a])2(SC[6a]){1|C<3>,2|H<1>}	114.7132	0.245	5	114.6723	0.058	6	115.1729	1.332	100	115.3578	1.755	218	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a]-2:N[6a]-2:S-2:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]S)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](N[6a]C[6a])2(SC[6a])	N[6a](C[6a]C[6a]H)(C[6a]N[6a]S){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|N<2>,2|S<2>}	C[6a](N[6a]C[6a])2(SC[6a]){1|C<3>,1|H<1>,1|S<2>}	114.4680	0.000	1	114.6723	0.058	6	115.1729	1.332	100	115.3578	1.755	218	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a]-2:N[6a]-2:S-2:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]S)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](N[6a]C[6a])2(SFe)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]S){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,1|N<2>,1|S<2>}	C[6a](N[6a]C[6a])2(SFe){1|C<3>,2|H<1>}	120.1015	2.573	2	120.1015	6.621	2	115.1729	1.332	100	115.3578	1.755	218	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a]-2:N[6a]-2:S-2:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]S)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](N[6a]C[6a])2(SMn)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]S){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,1|N<2>,1|S<2>}	C[6a](N[6a]C[6a])2(SMn){1|C<3>,2|H<1>}	116.1167	0.747	4	116.1167	0.558	4	115.1729	1.332	100	115.3578	1.755	218	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a]-2:N[6a]-2:S-2:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]S)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](N[6a]C[6a])2(SPt)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]S){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,1|N<2>,1|S<2>}	C[6a](N[6a]C[6a])2(SPt){1|C<3>,2|H<1>}	115.6520	1.669	2	115.6520	2.785	2	115.1729	1.332	100	115.3578	1.755	218	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a]-2:N[6a]-2:S-2:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]S)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](N[6a]C[6a])2(SRe)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]S){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,1|N<2>,1|S<2>}	C[6a](N[6a]C[6a])2(SRe){1|C<3>,2|H<1>}	115.9515	0.854	4	115.9515	0.729	4	115.1729	1.332	100	115.3578	1.755	218	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a]-2:N[6a]-2:S-2:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]S)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](N[6a]C[6a])2(SS)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]S){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|N<2>,1|S<2>}	C[6a](N[6a]C[6a])2(SS){1|H<1>,2|C<3>}	114.4087	0.407	3	114.7923	0.243	7	115.1729	1.332	100	115.3578	1.755	218	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a]-2:N[6a]-2:S-2:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]S)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](N[6a]C[6a])2(SS)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]S){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,1|N<2>,1|S<2>}	C[6a](N[6a]C[6a])2(SS){1|C<3>,2|H<1>}	115.0800	0.344	4	114.7923	0.243	7	115.1729	1.332	100	115.3578	1.755	218	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a]-2:N[6a]-2:S-2:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]S)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](N[6a]C[6a])2(SSn)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]S){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,1|N<2>,1|S<2>}	C[6a](N[6a]C[6a])2(SSn){1|C<3>,2|H<1>}	115.4095	0.868	4	115.4095	0.754	4	115.1729	1.332	100	115.3578	1.755	218	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a]-2:N[6a]-2:S-2:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]S)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	C[6a](N[6a]C[6a])(N[6a]N[6a])(SC)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]S){1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|N<2>,1|S<2>}	C[6a](N[6a]C[6a])(N[6a]N[6a])(SC){1|C<3>,1|H<1>}	114.5200	0.000	1	114.5200	0.000	1	115.1729	1.332	100	115.3578	1.755	218	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:2:	C[6a]-3:C[6a]-3:	N[6a]-3:N[6a]-2:O-1:	N[6a]-2:N[6a]-2:O-2:	N[6a](C[6a]N[6a]O)2	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O)	C[6a](N[6a]C[6a])2(OC)	N[6a](C[6a]N[6a]O)2{1|C<3>,1|C<4>}	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O){1|N<2>,2|O<2>}	C[6a](N[6a]C[6a])2(OC){1|N<3>,1|O<1>,1|O<2>}	117.1158	0.303	4	117.1158	0.092	4	116.9160	0.268	5	115.3578	1.755	218	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:2:	C[6a]-3:C[6a]-3:	N[6a]-3:N[6a]-2:O-1:	N[6a]-2:N[6a]-2:O-2:	N[6a](C[6a]N[6a]O)2	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(O)	C[6a](N[6a]C[6a])2(OC)	N[6a](C[6a]N[6a]O)2{1|C<3>,1|H<1>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(O){1|N<2>,2|O<2>}	C[6a](N[6a]C[6a])2(OC){1|N<3>,1|O<1>,1|O<2>}	116.1170	0.000	1	116.1170	0.000	1	116.9160	0.268	5	115.3578	1.755	218	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:3:	C[6a]-3:C[6a]-3:	C[5,6a]-3:N[6a]-2:H-1:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[5,6a]H)(C[6a]N[6a]N)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(H)	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[5,6a]H)(C[6a]N[6a]N){1|C<3>,1|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(H){1|N<2>,1|N<3>,2|C<4>,2|H<1>}	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(NHH){1|C<3>,1|C<4>,1|H<1>}	116.7680	0.000	1	116.7680	0.000	1	118.1715	3.007	4	115.6588	1.305	503	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:3:	C[6a]-3:C[6a]-3:	C[5,6a]-3:N[6a]-2:H-1:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[5,6a]H)(C[6a]N[6a]N)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(H)	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[5,6a]H)(C[6a]N[6a]N){1|C<3>,1|N<3>}	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(H){1|Co<6>,1|C<3>,1|N<2>,2|N<3>}	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|N<3>}	120.6360	0.000	1	118.6393	3.198	3	118.1715	3.007	4	115.6588	1.305	503	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:3:	C[6a]-3:C[6a]-3:	C[5,6a]-3:N[6a]-2:H-1:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[5,6a]H)(C[6a]N[6a]N)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(H)	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[5,6a]H)(C[6a]N[6a]N){1|C<3>,1|N<3>}	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(H){1|Cu<5>,1|C<3>,1|N<2>,2|N<3>}	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|N<3>}	117.6410	0.645	2	118.6393	3.198	3	118.1715	3.007	4	115.6588	1.305	503	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:3:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:Cl-1:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[5a,6a]Cl)(C[6a]N[6a]N)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NCC)	N[6a](C[6a]C[5a,6a]Cl)(C[6a]N[6a]N){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|N<2>,2|N<3>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NCC){1|Cl<1>,1|C<3>,1|N<3>}	116.4880	0.000	1	116.4880	0.000	1	117.1411	0.139	8	115.6588	1.305	503	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:3:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:Cl-1:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[5a,6a]Cl)(C[6a]N[6a]N)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[5a,6a]Cl)(C[6a]N[6a]N){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|N<2>,2|N<3>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH){1|Cl<1>,1|C<3>,1|N<3>}	117.2344	0.283	7	117.2344	0.080	7	117.1411	0.139	8	115.6588	1.305	503	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:3:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:H-1:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]N)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]N){2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(H){1|C<3>,2|N<2>,2|N<3>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|N<3>}	117.0000	0.000	1	117.0000	0.000	1	118.1317	0.372	7	115.6588	1.305	503	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:3:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:H-1:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]N)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]N){1|C<3>,1|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>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|N<3>}	118.3203	0.383	6	118.3203	0.147	6	118.1317	0.372	7	115.6588	1.305	503	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:3:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:H-1:	N[6a]-2:N[6a]-2:N[6]-3:	N[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]N[6])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(N[6]C[6]2)	N[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]N[6]){1|C<3>,1|N<3>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(N[6]C[6]2){2|C<3>,2|C<4>,5|H<1>}	117.1070	0.164	2	117.1070	0.027	2	117.1070	0.027	2	115.6588	1.305	503	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:3:	C[6a]-3:C[6a]-3:	C[6,6a]-3:N[6a]-2:H-1:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6,6a]H)(C[6a]N[6a]N)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(H)	C[6a](N[6a]C[6,6a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6,6a]H)(C[6a]N[6a]N){1|C<3>,1|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(H){1|N<2>,1|N<3>,2|C<4>,2|H<1>}	C[6a](N[6a]C[6,6a])(N[6a]C[6a])(NHH){1|C<3>,1|C<4>,1|H<1>}	115.4120	0.000	1	115.3180	0.007	3	115.3180	0.007	3	115.6588	1.305	503	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:3:	C[6a]-3:C[6a]-3:	C[6,6a]-3:N[6a]-2:H-1:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6,6a]H)(C[6a]N[6a]N)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(H)	C[6a](N[6a]C[6,6a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6,6a]H)(C[6a]N[6a]N){2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(H){1|N<2>,1|O<1>,3|N<3>}	C[6a](N[6a]C[6,6a])(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|N<3>}	115.2710	0.000	2	115.3180	0.007	3	115.3180	0.007	3	115.6588	1.305	503	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:3:	C[6a]-3:C[6a]-3:	C[6,6a]-3:N[6a]-2:H-1:	N[6a]-2:N[6a]-2:N[5]-3:	N[6a](C[6a]N[6a]N[5])(C[6a]C[6,6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(N[6a]C[6a])(H)	C[6a](N[6a]C[6,6a])(N[6a]C[6a])(N[5]C[5]2)	N[6a](C[6a]N[6a]N[5])(C[6a]C[6,6a]H){1|C<3>,1|N<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]N[6])(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|S<2>}	C[6a](N[6a]C[6,6a])(N[6a]C[6a])(N[5]C[5]2){1|C<3>,1|S<2>,2|C<4>,5|H<1>}	115.2830	0.000	1	115.2830	0.000	1	115.2830	0.000	1	115.6588	1.305	503	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:H-1:	N[6a]-2:N[6a]-2:C-3:	N[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C){2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H){1|H<1>,1|N<2>,3|C<3>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(COO){1|H<1>,2|C<3>}	116.0140	0.000	1	116.0140	0.000	1	116.0140	0.000	1	115.6588	1.305	503	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:H-1:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N){2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(NCH){1|H<1>,2|C<3>}	115.2800	0.000	1	115.2800	0.000	1	115.6945	0.344	2	115.6588	1.305	503	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:H-1:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N){2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H){1|N<2>,1|O<1>,3|N<3>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|N<3>}	116.1090	0.000	1	116.1090	0.000	1	115.6945	0.344	2	115.6588	1.305	503	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:H-1:	N[6a]-2:N[6a]-2:N[5]-3:	N[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N[5])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(N[5]C[5]2)	N[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N[5]){2|C<3>,2|C<4>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H){1|C<3>,1|N<2>,1|O<1>,2|N<3>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(N[5]C[5]2){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	114.8510	0.000	1	114.8510	0.000	1	114.8510	0.000	1	115.6588	1.305	503	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:H-1:	N[6a]-2:N[6a]-2:N[6]-3:	N[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N[6])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(N[6]C[6]2)	N[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N[6]){2|C<3>,2|C<4>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H){1|C<3>,1|N<2>,1|O<1>,2|N<3>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(N[6]C[6]2){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	115.7525	0.321	8	115.7525	0.103	8	115.7525	0.103	8	115.6588	1.305	503	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:Cl-1:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(Cl)	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]N){1|Br<1>,1|C<3>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(Cl){1|N<2>,2|N<3>}	C[6a](N[6a]C[6a])2(NHH){1|Cl<1>,1|C<3>,1|N<3>}	114.7950	0.000	1	114.7950	0.000	1	114.9690	1.900	59	115.6588	1.305	503	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:Cl-1:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Cl)	C[6a](N[6a]C[6a])2(NCC)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]N){1|C<2>,1|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Cl){1|H<1>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(NCC){1|Cl<1>,1|C<3>,1|H<1>}	116.0230	0.000	1	116.6546	0.137	5	114.9690	1.900	59	115.6588	1.305	503	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:Cl-1:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Cl)	C[6a](N[6a]C[6a])2(NCC)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]N){1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Cl){1|H<1>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(NCC){1|Cl<1>,1|C<3>,1|H<1>}	116.8125	0.127	4	116.6546	0.137	5	114.9690	1.900	59	115.6588	1.305	503	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:Cl-1:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Cl)	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]N){2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Cl){1|N<2>,2|N<3>}	C[6a](N[6a]C[6a])2(NHH){1|Cl<1>,1|C<3>,1|N<3>}	114.3809	0.632	14	114.3809	0.399	14	114.9690	1.900	59	115.6588	1.305	503	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:Cl-1:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl)	C[6a](N[6a]C[6a])2(NCH)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]N){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl){1|Cl<1>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(NCH){2|Cl<1>,1|C<3>}	114.9280	0.394	4	115.1501	1.453	7	114.9690	1.900	59	115.6588	1.305	503	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:Cl-1:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl)	C[6a](N[6a]C[6a])2(NCH)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]N){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl){1|N<2>,1|N<3>,1|O<2>}	C[6a](N[6a]C[6a])2(NCH){1|Cl<1>,1|C<3>,1|O<2>}	115.4463	1.974	3	115.1501	1.453	7	114.9690	1.900	59	115.6588	1.305	503	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:Cl-1:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl)	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]N){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl){1|C<4>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(NHH){1|Cl<1>,1|C<3>,1|C<4>}	115.3241	0.146	8	114.2451	0.929	25	114.9690	1.900	59	115.6588	1.305	503	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:Cl-1:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl)	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]N){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl){1|Cl<1>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(NHH){2|Cl<1>,1|C<3>}	114.8280	0.000	1	114.2451	0.929	25	114.9690	1.900	59	115.6588	1.305	503	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:Cl-1:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl)	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]N){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl){1|N<2>,1|N<3>,1|O<2>}	C[6a](N[6a]C[6a])2(NHH){1|Cl<1>,1|C<3>,1|O<2>}	114.6945	0.282	2	114.2451	0.929	25	114.9690	1.900	59	115.6588	1.305	503	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:Cl-1:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl)	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]N){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl){1|N<2>,2|N<3>}	C[6a](N[6a]C[6a])2(NHH){1|Cl<1>,1|C<3>,1|N<3>}	113.5227	0.602	14	114.2451	0.929	25	114.9690	1.900	59	115.6588	1.305	503	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:Cl-1:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(Cl)	C[6a](N[6a]C[6a])2(NCC)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]N){1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(Cl){1|H<1>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(NCC){1|Cl<1>,1|C<3>,1|H<1>}	117.4336	0.252	5	117.4336	0.063	5	114.9690	1.900	59	115.6588	1.305	503	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:Cl-1:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(Cl)	C[6a](N[6a]C[6a])2(NC[6]C)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]N){1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(Cl){1|H<1>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(NC[6]C){1|Cl<1>,1|C<3>,1|H<1>}	117.6300	0.000	1	117.6300	0.000	1	114.9690	1.900	59	115.6588	1.305	503	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:Cl-1:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(Cl)	C[6a](N[6a]C[6a])2(NC[6a]C)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]N){1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(Cl){1|H<1>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(NC[6a]C){1|Cl<1>,1|C<3>,1|H<1>}	116.7920	0.000	1	116.7920	0.000	1	114.9690	1.900	59	115.6588	1.305	503	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a]-2:N[6a]-2:C-3:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]C)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](N[6a]C[6a])2(CC[5a]2)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]C){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>}	C[6a](N[6a]C[6a])2(CC[5a]2){1|C<3>,2|H<1>}	116.0895	0.486	2	116.0895	0.236	2	115.8208	0.204	12	115.6588	1.305	503	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a]-2:N[6a]-2:C-3:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]C)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](N[6a]C[6a])2(CC[6a]C)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]C){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>}	C[6a](N[6a]C[6a])2(CC[6a]C){1|C<3>,2|H<1>}	116.2950	0.192	2	116.2950	0.037	2	115.8208	0.204	12	115.6588	1.305	503	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a]-2:N[6a]-2:C-3:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]C)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](N[6a]C[6a])2(CNN)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]C){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>}	C[6a](N[6a]C[6a])2(CNN){1|C<3>,2|H<1>}	115.7010	0.447	6	115.7010	0.200	6	115.8208	0.204	12	115.6588	1.305	503	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a]-2:N[6a]-2:C-3:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]C)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](N[6a]C[6a])2(CNO)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]C){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>}	C[6a](N[6a]C[6a])2(CNO){1|C<3>,2|H<1>}	115.4375	0.035	2	115.4375	0.001	2	115.8208	0.204	12	115.6588	1.305	503	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a]-2:N[6a]-2:C[5]-3:	N[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](N[6a]C[6a])2(C[5]N[5]2)	N[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|H<1>,2|N<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>}	C[6a](N[6a]C[6a])2(C[5]N[5]2){1|C<3>,2|H<1>,2|N<2>}	111.3640	0.000	1	114.3153	7.160	3	114.3153	7.160	3	115.6588	1.305	503	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a]-2:N[6a]-2:C[5]-3:	N[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](N[6a]C[6a])2(C[5]N[5]2)	N[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|H<1>,2|N<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>}	C[6a](N[6a]C[6a])2(C[5]N[5]2){2|Se<2>,1|C<3>,2|H<1>}	115.7910	1.120	2	114.3153	7.160	3	114.3153	7.160	3	115.6588	1.305	503	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a]-2:N[6a]-2:C[6]-3:	N[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](N[6a]C[6a])2(C[6]N[6]2)	N[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>}	C[6a](N[6a]C[6a])2(C[6]N[6]2){3|C<3>,3|H<1>}	115.3737	0.220	6	115.3737	0.048	6	115.3737	0.048	6	115.6588	1.305	503	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H)	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){2|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](N[6a]C[6a])2(NHH){1|C<3>,2|H<1>}	116.1772	0.398	21	116.1772	0.159	21	115.6642	0.714	321	115.6588	1.305	503	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	C[6a](N[6a]C[6a])2(NCH)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|Br<1>,1|C<3>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|H<1>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(NCH){1|C<3>,2|H<1>}	117.1530	1.113	4	117.1530	1.239	4	115.6642	0.714	321	115.6588	1.305	503	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|Br<1>,1|C<3>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|H<1>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(NHH){1|C<3>,2|H<1>}	119.1335	2.716	2	119.1335	7.377	2	115.6642	0.714	321	115.6588	1.305	503	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	C[6a](N[6a]C[6a])2(NHN)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|Br<1>,1|C<3>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|H<1>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(NHN){1|C<3>,2|H<1>}	115.8510	1.068	2	115.8510	1.140	2	115.6642	0.714	321	115.6588	1.305	503	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	C[6a](N[6a]C[6a])2(NCC)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<2>,1|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|Cl<1>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(NCC){1|Cl<1>,1|C<3>,1|H<1>}	116.3220	0.000	1	115.8524	0.123	5	115.6642	0.714	321	115.6588	1.305	503	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	C[6a](N[6a]C[6a])2(NCC)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|Cl<1>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(NCC){1|Cl<1>,1|C<3>,1|H<1>}	115.7350	0.269	4	115.8524	0.123	5	115.6642	0.714	321	115.6588	1.305	503	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<2>,1|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|H<1>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(NHH){1|C<3>,2|H<1>}	116.5690	0.358	6	116.1832	1.642	14	115.6642	0.714	321	115.6588	1.305	503	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(NHH){1|H<1>,2|C<3>}	114.4360	0.000	1	116.1832	1.642	14	115.6642	0.714	321	115.6588	1.305	503	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|N<2>,2|N<3>}	C[6a](N[6a]C[6a])2(NHH){1|C<3>,1|H<1>,1|N<3>}	115.1844	0.521	5	116.1832	1.642	14	115.6642	0.714	321	115.6588	1.305	503	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|H<1>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(NHH){1|C<3>,2|H<1>}	118.3965	0.945	2	116.1832	1.642	14	115.6642	0.714	321	115.6588	1.305	503	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H)	C[6a](N[6a]C[6a])2(NCH)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H){1|H<1>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(NCH){1|C<3>,2|H<1>}	116.2505	0.450	2	116.2505	0.203	2	115.6642	0.714	321	115.6588	1.305	503	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H)	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H){1|H<1>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(NHH){1|C<3>,2|H<1>}	116.4430	0.000	1	116.4430	0.000	1	115.6642	0.714	321	115.6588	1.305	503	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(H)	C[6a](N[6a]C[6a])2(NC[6a]H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|F<1>}	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(H){1|C<3>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(NC[6a]H){1|H<1>,2|C<3>}	115.1200	0.000	1	115.1200	0.000	1	115.6642	0.714	321	115.6588	1.305	503	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(H)	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|F<1>}	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(H){1|C<3>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(NHH){1|H<1>,2|C<3>}	115.8600	0.264	2	115.8600	0.070	2	115.6642	0.714	321	115.6588	1.305	503	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(H)	C[6a](N[6a]C[6a])2(NHN)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|F<1>}	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(H){1|H<1>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(NHN){1|C<3>,2|H<1>}	115.1900	0.273	2	115.1900	0.074	2	115.6642	0.714	321	115.6588	1.305	503	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](N[6a]C[6a])2(NCC)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<4>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(NCC){1|C<3>,1|C<4>,1|H<1>}	114.2640	0.191	2	114.8798	0.523	4	115.6642	0.714	321	115.6588	1.305	503	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](N[6a]C[6a])2(NCC)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(NCC){1|C<3>,2|H<1>}	115.4955	0.129	2	114.8798	0.523	4	115.6642	0.714	321	115.6588	1.305	503	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](N[6a]C[6a])2(NCH)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(NCH){1|C<3>,2|H<1>}	115.5894	0.526	34	115.5466	0.294	36	115.6642	0.714	321	115.6588	1.305	503	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](N[6a]C[6a])2(NCH)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|N<2>,1|N<3>,1|O<2>}	C[6a](N[6a]C[6a])2(NCH){1|C<3>,1|H<1>,1|O<2>}	114.8180	0.170	2	115.5466	0.294	36	115.6642	0.714	321	115.6588	1.305	503	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](N[6a]C[6a])2(NC[5a]H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(NC[5a]H){1|C<3>,2|H<1>}	115.1160	0.246	2	115.1160	0.061	2	115.6642	0.714	321	115.6588	1.305	503	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](N[6a]C[6a])2(NC[6]H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(NC[6]H){1|C<3>,2|H<1>}	117.2340	0.997	2	117.2340	0.994	2	115.6642	0.714	321	115.6588	1.305	503	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](N[6a]C[6a])2(NC[6a]C)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(NC[6a]C){1|C<3>,2|H<1>}	115.0030	0.208	4	115.0030	0.043	4	115.6642	0.714	321	115.6588	1.305	503	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](N[6a]C[6a])2(NC[6a]H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(NC[6a]H){1|H<1>,2|C<3>}	114.6556	0.338	7	115.5326	0.496	29	115.6642	0.714	321	115.6588	1.305	503	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](N[6a]C[6a])2(NC[6a]H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(NC[6a]H){1|C<3>,2|H<1>}	115.8116	0.540	22	115.5326	0.496	29	115.6642	0.714	321	115.6588	1.305	503	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](N[6a]C[6a])2(NCaS)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(NCaS){1|C<3>,2|H<1>}	116.2885	0.793	2	116.2885	0.628	2	115.6642	0.714	321	115.6588	1.305	503	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(NHH){1|H<1>,2|C<3>}	115.5702	0.207	6	116.0535	0.631	68	115.6642	0.714	321	115.6588	1.305	503	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(NHH){1|C<3>,2|H<1>}	116.4061	0.506	51	116.0535	0.631	68	115.6642	0.714	321	115.6588	1.305	503	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|N<2>,1|N<3>,1|O<2>}	C[6a](N[6a]C[6a])2(NHH){1|C<3>,1|H<1>,1|O<2>}	114.8710	0.349	2	116.0535	0.631	68	115.6642	0.714	321	115.6588	1.305	503	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|N<2>,2|N<3>}	C[6a](N[6a]C[6a])2(NHH){1|C<3>,1|H<1>,1|N<3>}	114.6409	0.276	9	116.0535	0.631	68	115.6642	0.714	321	115.6588	1.305	503	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](N[6a]C[6a])2(NHS)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<4>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(NHS){1|C<3>,1|C<4>,1|H<1>}	114.9792	0.337	71	115.0524	0.137	93	115.6642	0.714	321	115.6588	1.305	503	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](N[6a]C[6a])2(NHS)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(NHS){1|C<3>,2|H<1>}	115.2885	0.378	22	115.0524	0.137	93	115.6642	0.714	321	115.6588	1.305	503	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(H)	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|I<1>}	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(H){1|H<1>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(NHH){1|C<3>,2|H<1>}	116.1130	0.000	1	116.1130	0.000	1	115.6642	0.714	321	115.6588	1.305	503	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	C[6a](N[6a]C[6a])2(NCC)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|Cl<1>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(NCC){1|Cl<1>,1|C<3>,1|H<1>}	115.6790	0.440	5	115.6790	0.194	5	115.6642	0.714	321	115.6588	1.305	503	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	C[6a](N[6a]C[6a])2(NC[6]C)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|Cl<1>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(NC[6]C){1|Cl<1>,1|C<3>,1|H<1>}	116.0230	0.000	1	116.0230	0.000	1	115.6642	0.714	321	115.6588	1.305	503	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	C[6a](N[6a]C[6a])2(NC[6a]C)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|Cl<1>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(NC[6a]C){1|Cl<1>,1|C<3>,1|H<1>}	115.4960	0.000	1	115.4960	0.000	1	115.6642	0.714	321	115.6588	1.305	503	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|H<1>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(NHH){1|C<3>,2|H<1>}	116.2980	0.314	5	116.2980	0.099	5	115.6642	0.714	321	115.6588	1.305	503	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(H)	C[6a](N[6a]C[6a])2(NHS)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(H){1|H<1>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(NHS){1|C<3>,2|H<1>}	115.9953	0.473	12	115.9953	0.224	12	115.6642	0.714	321	115.6588	1.305	503	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a]-2:N[6a]-2:N[5]-3:	N[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](N[6a]C[6a])2(N[5]C[5]2)	N[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(N[5]C[5]2){1|N<3>,2|C<3>,4|H<1>}	114.2444	0.312	8	114.2444	0.097	8	114.2444	0.097	8	115.6588	1.305	503	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a]-2:N[6a]-2:N[6]-3:	N[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](N[6a]C[6a])2(N[6]C[6]2)	N[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H){1|C<3>,1|H<1>,2|C<4>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<4>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(N[6]C[6]2){1|C<3>,3|C<4>,5|H<1>}	115.3180	0.000	1	115.2961	0.962	43	115.3915	0.992	47	115.6588	1.305	503	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a]-2:N[6a]-2:N[6]-3:	N[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](N[6a]C[6a])2(N[6]C[6]2)	N[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H){1|C<3>,1|H<1>,2|C<4>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	115.4747	0.644	36	115.2961	0.962	43	115.3915	0.992	47	115.6588	1.305	503	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a]-2:N[6a]-2:N[6]-3:	N[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](N[6a]C[6a])2(N[6]C[6]2)	N[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(N[6]C[6]2){3|C<3>,4|H<1>}	114.2213	1.886	6	115.2961	0.962	43	115.3915	0.992	47	115.6588	1.305	503	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a]-2:N[6a]-2:N[6]-3:	N[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(H)	C[6a](N[6a]C[6a])2(N[6]C[6]2)	N[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(H){1|H<1>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	116.4955	0.721	2	116.4162	0.209	4	115.3915	0.992	47	115.6588	1.305	503	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a]-2:N[6a]-2:N[6]-3:	N[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(H)	C[6a](N[6a]C[6a])2(N[6]C[6]2)	N[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(H){1|H<1>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(N[6]C[6]2){1|C<3>,3|C<4>,5|H<1>}	116.3370	0.288	2	116.4162	0.209	4	115.3915	0.992	47	115.6588	1.305	503	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:3:	C[6a]-3:C[6a]-3:	N[5,6a]-3:N[6a]-2:O-1:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]N[5,6a]O)(C[6a]N[6a]N)	C[6a](N[5,6a]C[5,6a]C[5])(N[6a]C[6a])(O)	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(NCC)	N[6a](C[6a]N[5,6a]O)(C[6a]N[6a]N){2|C<3>}	C[6a](N[5,6a]C[5,6a]C[5])(N[6a]C[6a])(O){1|C<3>,1|C<4>,1|N<2>,2|N<3>}	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(NCC){1|O<1>,2|N<3>}	119.1650	0.000	1	119.1650	0.000	1	119.1650	0.000	1	115.6588	1.305	503	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:3:	C[6a]-3:C[6a]-3:	N[5a,6a]-3:N[6a]-2:H-1:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]N[5a,6a]H)(C[6a]N[6a]N)	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NCC)	N[6a](C[6a]N[5a,6a]H)(C[6a]N[6a]N){2|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(H){1|N<3>,2|C<3>,2|N<2>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NCC){1|H<1>,1|N<2>,1|N<3>}	116.8850	0.598	2	116.8850	0.358	2	116.7330	0.248	3	115.6588	1.305	503	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:3:	C[6a]-3:C[6a]-3:	N[5a,6a]-3:N[6a]-2:H-1:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]N[5a,6a]H)(C[6a]N[6a]N)	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NCC)	N[6a](C[6a]N[5a,6a]H)(C[6a]N[6a]N){1|C<3>,1|N<2>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(H){1|C<3>,1|N<3>,2|N<2>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NCC){1|H<1>,1|N<2>,1|N<3>}	116.4290	0.000	1	116.4290	0.000	1	116.7330	0.248	3	115.6588	1.305	503	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:3:	C[6a]-3:C[6a]-3:	N[5a,6a]-3:N[6a]-2:O-1:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]N[5a,6a]O)(C[6a]N[6a]N)	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(O)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH)	N[6a](C[6a]N[5a,6a]O)(C[6a]N[6a]N){2|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(O){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH){1|O<1>,2|N<3>}	119.5915	0.803	2	119.6685	0.229	4	119.6685	0.229	4	115.6588	1.305	503	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:3:	C[6a]-3:C[6a]-3:	N[5a,6a]-3:N[6a]-2:O-1:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]N[5a,6a]O)(C[6a]N[6a]N)	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(O)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH)	N[6a](C[6a]N[5a,6a]O)(C[6a]N[6a]N){2|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(O){1|C<3>,1|I<1>,1|N<2>,2|N<3>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH){1|O<1>,2|N<3>}	119.7455	0.139	2	119.6685	0.229	4	119.6685	0.229	4	115.6588	1.305	503	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:3:	C[6a]-3:C[6a]-3:	N[6a]-3:N[6a]-2:H-1:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]N[6a]H)(C[6a]N[6a]N)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(H)	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]N[6a]H)(C[6a]N[6a]N){1|C<3>,1|C<4>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|O<2>}	C[6a](N[6a]C[6a])2(NHH){1|H<1>,1|N<3>,1|O<1>}	114.8590	0.000	1	114.8590	0.000	1	114.8590	0.000	1	115.6588	1.305	503	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:3:	C[6a]-3:C[6a]-3:	N[6a]-3:N[6a]-2:O-1:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(O)	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O){1|C<3>,1|C<4>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(O){1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|H<1>}	C[6a](N[6a]C[6a])2(NHH){1|H<1>,1|N<3>,1|O<1>}	119.2810	0.000	1	119.2810	0.000	1	119.2810	0.000	1	115.6588	1.305	503	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:4:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:Cl-1:	N[6a]-2:N[6a]-2:S-4:	N[6a](C[6a]C[5a,6a]Cl)(C[6a]N[6a]S)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(Cl)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(SCOO)	N[6a](C[6a]C[5a,6a]Cl)(C[6a]N[6a]S){2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(Cl){1|H<1>,1|N<3>,1|S<4>,2|N<2>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(SCOO){1|Cl<1>,1|C<3>,1|N<3>}	115.9160	0.000	1	115.9160	0.000	1	115.9160	0.000	1	115.8073	2.701	29	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:Cl-1:	N[6a]-2:N[6a]-2:C-4:	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]C)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(Cl)	C[6a](N[6a]C[6a])2(CH3)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]C){1|C<3>,1|N<2>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(Cl){1|C<4>,1|N<2>,1|O<2>}	C[6a](N[6a]C[6a])2(CH3){1|Cl<1>,1|C<3>,1|O<2>}	115.9960	0.000	1	115.9390	0.006	2	115.9390	0.006	2	115.8073	2.701	29	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:Cl-1:	N[6a]-2:N[6a]-2:C-4:	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]C)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(Cl)	C[6a](N[6a]C[6a])2(CH3)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]C){1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(Cl){1|C<4>,1|N<2>,1|O<2>}	C[6a](N[6a]C[6a])2(CH3){1|Cl<1>,1|C<3>,1|O<2>}	115.8820	0.000	1	115.9390	0.006	2	115.9390	0.006	2	115.8073	2.701	29	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a]-2:N[6a]-2:C-4:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]C)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	C[6a](N[6a]C[6a])2(CH3)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]C){1|Br<1>,1|C<3>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|N<2>,2|C<4>}	C[6a](N[6a]C[6a])2(CH3){1|C<3>,1|C<4>,1|H<1>}	116.0770	0.000	1	116.0770	0.000	1	115.7363	2.399	15	115.8073	2.701	29	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a]-2:N[6a]-2:C-4:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]C)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	C[6a](N[6a]C[6a])2(CH3)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]C){1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<4>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(CH3){1|C<3>,1|H<1>,1|N<3>}	117.1418	1.848	4	117.1418	3.415	4	115.7363	2.399	15	115.8073	2.701	29	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a]-2:N[6a]-2:C-4:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]C)	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(H)	C[6a](N[6a]C[6a])2(CF3)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]C){2|C<3>}	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(H){1|Ir<6>,1|C<3>,1|C<4>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(CF3){1|Ir<6>,1|C<3>,1|H<1>}	114.1685	0.043	2	114.0220	0.101	4	115.7363	2.399	15	115.8073	2.701	29	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a]-2:N[6a]-2:C-4:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]C)	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(H)	C[6a](N[6a]C[6a])2(CF3)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]C){2|C<3>}	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(H){1|Ir<6>,1|C<4>,1|N<3>,2|N<2>}	C[6a](N[6a]C[6a])2(CF3){1|Ir<6>,1|C<3>,1|H<1>}	113.8755	0.463	2	114.0220	0.101	4	115.7363	2.399	15	115.8073	2.701	29	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a]-2:N[6a]-2:C-4:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]C)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](N[6a]C[6a])2(CCHH)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]C){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<4>,1|H<1>,1|N<2>}	C[6a](N[6a]C[6a])2(CCHH){1|C<3>,2|H<1>}	115.9305	0.349	2	115.9305	0.122	2	115.7363	2.399	15	115.8073	2.701	29	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a]-2:N[6a]-2:C-4:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]C)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](N[6a]C[6a])2(CC[5]CH)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]C){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<4>,1|H<1>,1|N<2>}	C[6a](N[6a]C[6a])2(CC[5]CH){1|C<3>,2|H<1>}	116.7225	0.197	2	116.7225	0.039	2	115.7363	2.399	15	115.8073	2.701	29	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a]-2:N[6a]-2:C-4:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]C)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](N[6a]C[6a])2(CHHN)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]C){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|N<2>}	C[6a](N[6a]C[6a])2(CHHN){1|H<1>,2|C<3>}	115.0035	0.071	2	115.0035	0.005	2	115.7363	2.399	15	115.8073	2.701	29	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a]-2:N[6a]-2:N-4:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](N[6a]C[6a])2(NH3)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,1|N<2>,1|N<4>}	C[6a](N[6a]C[6a])2(NH3){1|C<3>,2|H<1>}	119.4550	2.130	2	119.4550	4.536	2	116.9678	4.750	6	115.8073	2.701	29	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a]-2:N[6a]-2:N-4:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](N[6a]C[6a])2(NSn3)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<4>,1|N<2>,1|N<4>}	C[6a](N[6a]C[6a])2(NSn3){1|C<3>,1|C<4>,1|H<1>}	115.7242	0.468	4	115.7242	0.219	4	116.9678	4.750	6	115.8073	2.701	29	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a]-2:N[6a]-2:S-4:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]S)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](N[6a]C[6a])2(SCOO)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]S){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|N<2>,1|S<4>}	C[6a](N[6a]C[6a])2(SCOO){1|H<1>,2|C<3>}	113.4660	0.000	1	113.4660	0.000	1	114.5532	0.554	5	115.8073	2.701	29	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a]-2:N[6a]-2:S-4:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]S)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](N[6a]C[6a])2(SFe2H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]S){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,1|N<2>,1|S<4>}	C[6a](N[6a]C[6a])2(SFe2H){1|C<3>,2|H<1>}	115.2410	0.027	2	115.2410	0.001	2	114.5532	0.554	5	115.8073	2.701	29	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a]-2:N[6a]-2:S-4:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]S)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](N[6a]C[6a])2(SO3)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]S){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|N<2>,1|S<4>}	C[6a](N[6a]C[6a])2(SO3){1|H<1>,2|C<3>}	114.4090	0.214	2	114.4090	0.046	2	114.5532	0.554	5	115.8073	2.701	29	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:3:2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:H-1:	N[6a]-2:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]H){4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H){1|H<1>,1|N<2>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]){3|H<1>,4|C<3>}	115.9130	0.751	3	115.9753	0.391	4	116.0422	0.316	5	116.0422	0.316	5	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:3:2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:H-1:	N[6a]-2:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]H){4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H){1|N<2>,1|O<1>,1|O<2>,2|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|O<2>,3|C<3>,3|H<1>}	116.1620	0.000	1	115.9753	0.391	4	116.0422	0.316	5	116.0422	0.316	5	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:3:2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:H-1:	N[6a]-2:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]H){2|C<3>,2|N<2>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H){1|H<1>,1|N<2>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]2)(N[6a]C[6a]){1|H<1>,4|C<3>}	116.3100	0.000	1	116.3100	0.000	1	116.0422	0.316	5	116.0422	0.316	5	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:4:2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:H-1:	N[6a]-2:C[3]-4:N[6a]-2:	N[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C[3])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H)	C[6a](N[6a]C[6a,6a])(C[3]C[3]2H)(N[6a]C[6a])	N[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C[3]){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|O<2>}	C[6a](N[6a]C[6a,6a])(C[3]C[3]2H)(N[6a]C[6a]){2|C<3>,5|H<1>}	116.0760	0.000	1	116.0760	0.000	1	116.0760	0.000	1	116.0760	0.000	1	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[5,6,6a]-3:N[6a]-2:Cl-1:	C[6a]-3:N[6a]-2:Cl-1:	N[6a](C[6a]C[5,6,6a]Cl)(C[6a]C[6a]Cl)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(N[6a]C[6a])(Cl)	C[6a](C[6a]C[5,6,6a]H)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[5,6,6a]Cl)(C[6a]C[6a]Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(N[6a]C[6a])(Cl){1|Cl<1>,1|O<2>,2|C<3>,2|C<4>}	C[6a](C[6a]C[5,6,6a]H)(N[6a]C[6a])(Cl){1|Cl<1>,1|C<3>,1|C<4>}	116.8090	0.000	1	116.8090	0.000	1	116.8090	0.000	1	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[5,6a]-3:N[6a]-2:Cl-1:	C[6a]-3:N[6a]-2:Cl-1:	N[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]Cl)	C[6a](C[5,6a]N[5,6a]C[5])(N[6a]C[6a])(Cl)	C[6a](C[6a]N[5,6a]O)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]Cl){1|C<4>,1|N<3>,1|O<1>}	C[6a](C[5,6a]N[5,6a]C[5])(N[6a]C[6a])(Cl){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]N[5,6a]O)(N[6a]C[6a])(Cl){1|Cl<1>,1|C<3>,1|C<4>}	118.9660	0.000	1	118.9660	0.000	1	118.9660	0.000	1	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[5,6a]-3:N[6a]-2:F-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[5,6a]F)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(F)	C[6a](C[6a]C[5,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5,6a]F)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(F){1|B<3>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[5,6a]H)(N[6a]C[6a])(H){1|B<3>,1|C<3>,1|F<1>}	117.8210	0.000	1	117.8210	0.000	1	117.8210	0.000	1	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[5,6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]As[5])(N[6a]C[6a])(H)	C[6a](C[6a]C[5,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H){1|As<3>,1|C<3>,1|H<1>}	C[6a](C[5,6a]C[5,6a]As[5])(N[6a]C[6a])(H){1|H<1>,4|C<3>}	C[6a](C[6a]C[5,6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	116.5560	0.081	2	116.8730	0.160	4	117.2184	0.478	14	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[5,6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]As[5])(N[6a]C[6a])(H)	C[6a](C[6a]C[5,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H){1|As<4>,1|C<3>,1|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>}	C[6a](C[6a]C[5,6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	117.1900	0.269	2	116.8730	0.160	4	117.2184	0.478	14	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[5,6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(H)	C[6a](C[6a]C[5,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[5,6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	116.9810	0.000	1	117.9822	0.617	4	117.2184	0.478	14	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[5,6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(H)	C[6a](C[6a]C[5,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[6a](C[6a]C[5,6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	118.6045	0.128	2	117.9822	0.617	4	117.2184	0.478	14	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[5,6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(H)	C[6a](C[6a]C[5,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6a](C[6a]C[5,6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	117.7390	0.000	1	117.9822	0.617	4	117.2184	0.478	14	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[5,6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]P[5])(N[6a]C[6a])(H)	C[6a](C[6a]C[5,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|P<3>}	C[6a](C[5,6a]C[5,6a]P[5])(N[6a]C[6a])(H){1|H<1>,4|C<3>}	C[6a](C[6a]C[5,6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	116.8330	0.277	2	117.0747	0.115	4	117.2184	0.478	14	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[5,6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]P[5])(N[6a]C[6a])(H)	C[6a](C[6a]C[5,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|P<4>}	C[6a](C[5,6a]C[5,6a]P[5])(N[6a]C[6a])(H){1|H<1>,1|O<1>,4|C<3>}	C[6a](C[6a]C[5,6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	117.3165	0.185	2	117.0747	0.115	4	117.2184	0.478	14	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[5,6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]Si[5])(N[6a]C[6a])(H)	C[6a](C[6a]C[5,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H){1|Si<4>,1|C<3>,1|H<1>}	C[6a](C[5,6a]C[5,6a]Si[5])(N[6a]C[6a])(H){1|H<1>,5|C<3>}	C[6a](C[6a]C[5,6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	116.6685	0.182	2	116.6685	0.033	2	117.2184	0.478	14	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:Br-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[5a,6a]Br)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Br)	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]Br)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Br){1|H<1>,1|S<4>,3|C<3>}	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(H){1|Br<1>,2|C<3>}	118.4410	0.000	1	118.4410	0.000	1	118.4410	0.000	1	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:Cl-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[5a,6a]Cl)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl)	C[6a](C[6a]C[5a,6a]Br)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]Cl)(C[6a]C[6a]H){1|Br<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>}	C[6a](C[6a]C[5a,6a]Br)(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|N<2>}	119.4350	0.000	1	119.4350	0.000	1	118.4237	0.767	3	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:Cl-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[5a,6a]Cl)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl)	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]Cl)(C[6a]C[6a]H){1|C<3>,1|H<1>,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>}	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|N<2>}	117.8990	0.000	1	117.9180	0.001	2	118.4237	0.767	3	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:Cl-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[5a,6a]Cl)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl)	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]Cl)(C[6a]C[6a]H){1|C<3>,1|H<1>,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>}	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|N<3>}	117.9370	0.000	1	117.9180	0.001	2	118.4237	0.767	3	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:Cl-1:	N[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[5a,6a]Cl)(C[6a]N[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(Cl)	C[6a](N[6a]C[5a,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]Cl)(C[6a]N[6a]H){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(Cl){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](N[6a]C[5a,6a]H)(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|N<2>}	116.5060	0.000	1	116.5060	0.000	1	116.5060	0.000	1	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:F-1:	C[6a]-3:N[6a]-2:F-1:	N[6a](C[6a]C[5a,6a]F)(C[6a]C[6a]F)	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a])(F)	C[6a](C[6a]C[5a,6a]F)(N[6a]C[6a])(F)	N[6a](C[6a]C[5a,6a]F)(C[6a]C[6a]F){1|F<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a])(F){1|F<1>,1|S<2>,3|C<3>}	C[6a](C[6a]C[5a,6a]F)(N[6a]C[6a])(F){1|C<3>,1|F<1>,1|S<2>}	116.8320	0.000	1	116.8320	0.000	1	116.8320	0.000	1	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[5a,6a]H)2	C[6a](C[5a,6a]C[5a,5a,6a]C[5a,6a])(N[6a]C[6a])(H)	C[6a](C[5a,6a]C[5a,5a,6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]H)2{3|C<3>}	C[6a](C[5a,6a]C[5a,5a,6a]C[5a,6a])(N[6a]C[6a])(H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[5a,6a]C[5a,5a,6a]C[5a,6a])(N[6a]C[6a])(H){1|H<1>,1|N<3>,3|C<3>}	121.0095	0.159	2	121.0095	0.025	2	121.0095	0.025	2	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:H-1:	C[6,6a]-3:N[6a]-2:Cl-1:	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6,6a]Cl)	C[6a](C[5a,6a]C[5a,6,6a]N[5a])(N[6a]C[6a])(H)	C[6a](C[6,6a]C[5a,6,6a]C[6])(N[6a]C[6a])(Cl)	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6,6a]Cl){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[5a,6a]C[5a,6,6a]N[5a])(N[6a]C[6a])(H){1|Cl<1>,1|S<4>,3|C<3>}	C[6a](C[6,6a]C[5a,6,6a]C[6])(N[6a]C[6a])(Cl){1|C<4>,2|C<3>,3|H<1>}	119.0760	0.000	1	119.0760	0.000	1	119.0760	0.000	1	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:Br-1:	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]Br)	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a])(H)	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(Br)	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]Br){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a])(H){1|Br<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(Br){1|C<3>,1|H<1>,1|N<3>}	116.5090	0.000	1	116.5090	0.000	1	116.5090	0.000	1	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:Cl-1:	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]Cl)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(H)	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(H){1|Cl<1>,4|C<3>}	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(Cl){1|H<1>,2|C<3>}	118.3980	0.000	1	118.3980	0.000	1	118.3980	0.000	1	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a])(H)	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a])(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	117.7550	0.035	2	117.5228	0.110	5	117.7780	0.258	18	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a])(H)	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a])(H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	117.3680	0.360	3	117.5228	0.110	5	117.7780	0.258	18	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(H)	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	117.7810	0.000	1	117.7926	0.173	5	117.7780	0.258	18	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(H)	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	117.9400	0.470	3	117.7926	0.173	5	117.7780	0.258	18	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(H)	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(H){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|O<2>}	117.3620	0.000	1	117.7926	0.173	5	117.7780	0.258	18	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(H)	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(H){1|H<1>,4|C<3>}	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	117.7830	0.000	1	118.1383	0.203	3	117.7780	0.258	18	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(H)	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(H){2|H<1>,3|C<3>}	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	118.3160	0.465	2	118.1383	0.203	3	117.7780	0.258	18	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a])(H)	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a])(H){1|H<1>,3|C<3>}	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	117.5820	0.000	1	117.5820	0.000	1	117.7780	0.258	18	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a])(H)	C[6a](C[6a]N[5a,6a]Cl)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H){1|Cl<1>,1|N<2>,1|N<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a])(H){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]N[5a,6a]Cl)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	118.9190	0.000	1	118.9190	0.000	1	117.7780	0.258	18	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a])(H)	C[6a](C[6a]N[5a,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a])(H){1|H<1>,3|C<3>}	C[6a](C[6a]N[5a,6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	117.5037	0.534	3	117.5037	0.285	3	117.7780	0.258	18	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:O-1:	N[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(O)	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(O){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a])(H){1|C<3>,1|N<2>,1|O<1>}	120.8300	0.000	1	120.8300	0.000	1	120.8300	0.000	1	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6,6,6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(N[6a]C[6a])(H)	C[6a](C[6a]C[6,6,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(N[6a]C[6a])(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[6a](C[6a]C[6,6,6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	117.0550	0.000	1	117.0550	0.000	1	117.0550	0.000	1	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6,6a]-3:N[6a]-2:Cl-1:	C[6a]-3:N[6a]-2:Cl-1:	N[6a](C[6a]C[6,6a]Cl)(C[6a]C[6a]Cl)	C[6a](C[6,6a]C[6,6a]C[6,6])(N[6a]C[6a])(Cl)	C[6a](C[6a]C[6,6a]H)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6,6a]Cl)(C[6a]C[6a]Cl){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(N[6a]C[6a])(Cl){1|Cl<1>,1|C<4>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6,6a]H)(N[6a]C[6a])(Cl){1|Cl<1>,1|C<3>,1|C<4>}	117.0890	0.000	1	117.0890	0.000	1	117.1094	0.027	5	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6,6a]-3:N[6a]-2:Cl-1:	C[6a]-3:N[6a]-2:Cl-1:	N[6a](C[6a]C[6,6a]Cl)(C[6a]C[6a]Cl)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(Cl)	C[6a](C[6a]C[6,6a]H)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6,6a]Cl)(C[6a]C[6a]Cl){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(Cl){1|Cl<1>,1|C<4>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6,6a]H)(N[6a]C[6a])(Cl){1|Cl<1>,1|C<3>,1|C<4>}	117.1145	0.190	4	117.1145	0.036	4	117.1094	0.027	5	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6,6a]-3:N[6a]-2:H-1:	C[6,6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6,6a]H)2	C[6a](C[6,6a]C[6,6,6a]C[6,6a])(N[6a]C[6a])(H)	C[6a](C[6,6a]C[6,6,6a]C[6,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6,6a]H)2{3|C<3>}	C[6a](C[6,6a]C[6,6,6a]C[6,6a])(N[6a]C[6a])(H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6,6a]C[6,6,6a]C[6,6a])(N[6a]C[6a])(H){1|H<1>,1|N<3>,3|C<3>}	116.9250	0.000	1	116.9250	0.000	1	116.9250	0.000	1	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6,6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(H)	C[6a](C[6a]C[6,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(H){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6,6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	115.4453	0.498	3	116.1726	0.561	8	116.1746	0.601	12	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6,6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(H)	C[6a](C[6a]C[6,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6,6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	116.7530	0.000	1	116.1726	0.561	8	116.1746	0.601	12	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6,6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(H)	C[6a](C[6a]C[6,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6,6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	117.0290	0.000	1	116.1726	0.561	8	116.1746	0.601	12	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6,6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(H)	C[6a](C[6a]C[6,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(H){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6,6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	116.4210	0.542	3	116.1726	0.561	8	116.1746	0.601	12	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6,6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(N[6a]C[6a])(H)	C[6a](C[6a]C[6,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6,6a]C[6,6a]N[6])(N[6a]C[6a])(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[6a](C[6a]C[6,6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|S<2>}	117.1230	0.000	1	117.1230	0.000	1	116.1746	0.601	12	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6,6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]S[6])(N[6a]C[6a])(H)	C[6a](C[6a]C[6,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6,6a]C[6,6a]S[6])(N[6a]C[6a])(H){1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6,6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	115.5880	0.000	1	115.8637	0.748	3	116.1746	0.601	12	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6,6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]S[6])(N[6a]C[6a])(H)	C[6a](C[6a]C[6,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6,6a]C[6,6a]S[6])(N[6a]C[6a])(H){1|H<1>,1|S<2>,2|C<3>}	C[6a](C[6a]C[6,6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	116.8330	0.000	1	115.8637	0.748	3	116.1746	0.601	12	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6,6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]S[6])(N[6a]C[6a])(H)	C[6a](C[6a]C[6,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6,6a]C[6,6a]S[6])(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,2|O<1>}	C[6a](C[6a]C[6,6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	115.1700	0.000	1	115.8637	0.748	3	116.1746	0.601	12	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:Cl-1:	C[6a,6a]-3:N[6a]-2:Cl-1:	N[6a](C[6a]C[6a,6a]Cl)2	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a])(Cl)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a,6a]Cl)2{3|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a])(Cl){1|Cl<1>,1|N<2>,3|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a])(Cl){2|Cl<1>,1|N<2>,2|C<3>}	119.0950	0.000	1	119.7170	0.774	2	119.7170	0.774	2	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:Cl-1:	C[6a,6a]-3:N[6a]-2:Cl-1:	N[6a](C[6a]C[6a,6a]Cl)2	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a])(Cl)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a,6a]Cl)2{3|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a])(Cl){2|Cl<1>,1|N<2>,2|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a])(Cl){2|Cl<1>,1|N<2>,2|C<3>}	120.3390	0.000	1	119.7170	0.774	2	119.7170	0.774	2	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:Cl-1:	C[6a]-3:N[6a]-2:Cl-1:	N[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]Cl)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(Cl)	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]Cl){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(Cl){1|Cl<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(Cl){1|Cl<1>,2|C<3>}	117.7950	0.000	1	117.7950	0.000	1	117.7950	0.000	1	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:Cl-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(Cl)	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(Cl){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|N<3>}	116.0070	0.000	1	116.0070	0.000	1	116.0070	0.000	1	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a,6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a,6a]H)2	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a])(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]H)2{3|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a])(H){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a])(H){2|H<1>,3|C<3>}	118.3423	0.757	10	118.3423	0.574	10	118.3333	0.517	11	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a,6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a,6a]H)2	C[6a](C[6a,6a]C[3x6a]N[6a])(N[6a]C[6a])(H)	C[6a](C[6a,6a]C[3x6a]N[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]H)2{1|C<3>,2|N<2>}	C[6a](C[6a,6a]C[3x6a]N[6a])(N[6a]C[6a])(H){1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[3x6a]N[6a])(N[6a]C[6a])(H){1|H<1>,3|C<3>}	118.2430	0.000	1	118.2430	0.000	1	118.3333	0.517	11	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]2)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]2)(N[6a]C[6a])(H){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	116.6700	0.000	1	116.6700	0.000	1	117.1520	7.698	49	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H)	C[6a](C[6a]C[6a,6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|C<2>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]C)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	115.9987	0.724	3	116.7751	0.928	7	117.1520	7.698	49	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H)	C[6a](C[6a]C[6a,6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|C<4>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]C)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	116.7240	0.000	1	116.7751	0.928	7	117.1520	7.698	49	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H)	C[6a](C[6a]C[6a,6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|C<4>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]C)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	117.5687	0.640	3	116.7751	0.928	7	117.1520	7.698	49	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H)	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H){3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a])(H){1|H<1>,4|C<3>}	116.4093	0.271	10	116.4093	0.073	10	117.1520	7.698	49	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H)	C[6a](C[6a]C[6a,6a]F)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|F<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]F)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	116.7608	0.267	4	116.7608	0.071	4	117.1520	7.698	49	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H)	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>}	116.6930	0.000	1	117.6525	18.344	20	117.1520	7.698	49	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H)	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	117.1150	0.000	1	117.6525	18.344	20	117.1520	7.698	49	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H)	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	116.9610	0.000	1	117.6525	18.344	20	117.1520	7.698	49	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H)	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	117.8280	0.000	1	117.6525	18.344	20	117.1520	7.698	49	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H)	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	116.6650	0.000	1	117.6525	18.344	20	117.1520	7.698	49	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H)	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	117.8526	4.966	15	117.6525	18.344	20	117.1520	7.698	49	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a])(H)	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a])(H){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	117.2090	1.015	2	117.2880	0.534	3	117.1520	7.698	49	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a])(H)	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a])(H){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	117.4460	0.000	1	117.2880	0.534	3	117.1520	7.698	49	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]O[6a])(N[6a]C[6a])(H)	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a,6a]C[6a,6a]O[6a])(N[6a]C[6a])(H){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	117.5750	0.331	4	117.5750	0.110	4	117.1520	7.698	49	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:I-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a,6a]I)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(I)	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]I)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(I){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(H){1|I<1>,2|C<3>}	117.8200	0.000	1	117.8200	0.000	1	117.8200	0.000	1	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:N[6a]-2:Br-1:	N[6a](C[6a]C[6a]Br)2	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(Br)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]Br)2{1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(Br){1|Br<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br){1|Br<1>,1|C<3>,1|H<1>}	117.6640	0.000	1	117.6640	0.000	1	116.4779	0.699	14	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:N[6a]-2:Br-1:	N[6a](C[6a]C[6a]Br)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Br)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]Br)2{1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Br){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Br){1|Br<1>,1|C<3>,1|H<1>}	116.7060	0.160	2	116.7060	0.026	2	116.4779	0.699	14	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:N[6a]-2:Br-1:	N[6a](C[6a]C[6a]Br)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]Br)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br){1|Br<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br){1|Br<1>,1|C<3>,1|C<4>}	115.4990	0.199	2	115.7228	0.093	4	116.4779	0.699	14	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:N[6a]-2:Br-1:	N[6a](C[6a]C[6a]Br)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]Br)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br){1|Br<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br){1|Br<1>,2|C<3>}	115.9465	0.194	2	115.7228	0.093	4	116.4779	0.699	14	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:N[6a]-2:Br-1:	N[6a](C[6a]C[6a]Br)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]Br)2{1|C<3>,1|H<1>,1|N<4>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(Br){1|Br<1>,1|C<3>,1|H<1>}	114.8840	0.000	1	114.8840	0.000	1	116.4779	0.699	14	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:N[6a]-2:Br-1:	N[6a](C[6a]C[6a]Br)2	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(Br)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]Br)2{1|H<1>,1|N<2>,1|N<3>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(Br){1|Br<1>,1|C<3>}	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(Br){1|Br<1>,1|C<3>}	116.8510	0.363	5	116.9733	0.195	6	116.4779	0.699	14	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:N[6a]-2:Br-1:	N[6a](C[6a]C[6a]Br)2	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(Br)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]Br)2{1|H<1>,2|N<2>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(Br){1|Br<1>,1|C<3>}	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(Br){1|Br<1>,1|C<3>}	117.5850	0.000	1	116.9733	0.195	6	116.4779	0.699	14	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(Br)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(Br){1|Br<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){2|Br<1>,1|C<3>}	116.5970	0.000	1	116.5970	0.000	1	117.7806	0.374	14	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H){2|Br<1>,1|C<3>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(Br){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|Br<1>,2|C<3>}	117.9880	0.434	2	117.9880	0.188	2	117.7806	0.374	14	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(Br)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(Br){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|Br<1>,2|C<3>}	117.3190	0.000	1	117.3190	0.000	1	117.7806	0.374	14	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(Br)	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|I<1>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(Br){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(H){1|Br<1>,2|C<3>}	118.2580	0.147	2	118.2580	0.022	2	117.7806	0.374	14	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(Br)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(Br){1|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|Br<1>,1|C<3>,1|H<1>}	117.0460	0.000	1	117.0460	0.000	1	117.7806	0.374	14	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(Br)	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|I<1>}	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(Br){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(H){1|Br<1>,2|C<3>}	118.5255	0.129	2	118.5255	0.017	2	117.7806	0.374	14	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(Br)	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<3>,2|I<1>}	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(Br){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(H){1|Br<1>,2|C<3>}	118.0890	0.130	2	118.0890	0.017	2	117.7806	0.374	14	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(Br)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(Br){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(H){1|Br<1>,1|C<3>}	117.5225	0.387	2	117.4150	0.109	3	117.7806	0.374	14	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(Br)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H){1|H<1>,2|N<2>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(Br){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(H){1|Br<1>,1|C<3>}	117.2000	0.000	1	117.4150	0.109	3	117.7806	0.374	14	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:N[6a]-2:Br-1:	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]Cl)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(Cl)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(Cl){1|Br<1>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br){1|Cl<1>,1|C<3>,1|H<1>}	115.5150	0.000	1	115.5150	0.000	1	115.5150	0.000	1	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:N[6a]-2:Cl-1:	N[6a](C[6a]C[6a]Cl)2	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(Cl)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)2{3|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(Cl){1|Cl<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(Cl){1|Cl<1>,1|H<1>,3|C<3>}	117.5940	0.000	1	117.5940	0.000	1	117.6522	1.441	19	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:N[6a]-2:Cl-1:	N[6a](C[6a]C[6a]Cl)2	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(Cl)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)2{1|Br<1>,2|C<3>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(Cl){1|Cl<1>,1|H<1>,3|C<3>}	117.9290	0.000	1	117.9290	0.000	1	117.6522	1.441	19	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:N[6a]-2:Cl-1:	N[6a](C[6a]C[6a]Cl)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Cl)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)2{1|C<3>,2|C<2>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Cl){1|Cl<1>,1|C<3>,1|H<1>}	117.2980	0.000	1	117.2980	0.000	1	117.6522	1.441	19	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:N[6a]-2:Cl-1:	N[6a](C[6a]C[6a]Cl)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Cl)	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)2{1|F<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(Cl){1|Cl<1>,1|C<3>,1|H<1>}	117.6440	0.000	1	117.6440	0.000	1	117.6522	1.441	19	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:N[6a]-2:Cl-1:	N[6a](C[6a]C[6a]Cl)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Cl)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)2{1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl){1|Cl<1>,1|C<3>,1|H<1>}	116.6880	0.000	1	116.6880	0.000	1	117.6522	1.441	19	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:N[6a]-2:Cl-1:	N[6a](C[6a]C[6a]Cl)2	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(Cl)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)2{1|Cl<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Cl){1|Cl<1>,1|C<3>,1|H<1>}	117.9280	0.000	1	117.9280	0.000	1	117.6522	1.441	19	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:N[6a]-2:Cl-1:	N[6a](C[6a]C[6a]Cl)2	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(Cl)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)2{2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(Cl){1|Cl<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(Cl){1|Cl<1>,1|C<3>,1|C<4>}	116.7120	0.000	1	118.1243	2.307	9	117.6522	1.441	19	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:N[6a]-2:Cl-1:	N[6a](C[6a]C[6a]Cl)2	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(Cl)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)2{2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(Cl){1|Cl<1>,1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(Cl){1|Cl<1>,1|C<3>,1|N<3>}	117.1473	1.967	3	118.1243	2.307	9	117.6522	1.441	19	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:N[6a]-2:Cl-1:	N[6a](C[6a]C[6a]Cl)2	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(Cl)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)2{2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(Cl){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(Cl){2|Cl<1>,1|C<3>}	118.9930	0.722	5	118.1243	2.307	9	117.6522	1.441	19	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:N[6a]-2:Cl-1:	N[6a](C[6a]C[6a]Cl)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl){1|Cl<1>,1|C<3>,1|I<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl){1|Cl<1>,1|C<3>,1|I<1>}	116.0650	0.000	1	116.2305	0.055	2	117.6522	1.441	19	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:N[6a]-2:Cl-1:	N[6a](C[6a]C[6a]Cl)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl){1|Cl<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl){1|Cl<1>,2|C<3>}	116.3960	0.000	1	116.2305	0.055	2	117.6522	1.441	19	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:N[6a]-2:Cl-1:	N[6a](C[6a]C[6a]Cl)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)2{1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(Cl){1|Cl<1>,1|C<3>,1|H<1>}	117.3655	0.063	2	117.3655	0.004	2	117.6522	1.441	19	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(Cl)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(Cl){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|H<1>}	117.5900	0.000	1	117.5900	0.000	1	116.7517	1.520	15	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(Cl)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){2|Br<1>,1|C<3>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|Cl<1>,2|C<3>}	118.4330	0.069	2	118.4330	0.005	2	116.7517	1.520	15	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(Cl)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|Cl<1>,2|C<3>}	117.3080	0.000	1	117.3080	0.000	1	116.7517	1.520	15	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(Cl)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(Cl){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|H<1>}	117.0600	0.256	2	117.0600	0.066	2	116.7517	1.520	15	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(Cl)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(Cl){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|N<3>}	115.5620	0.000	1	115.5620	0.000	1	116.7517	1.520	15	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(Cl)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(Cl){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|S<2>}	116.2690	0.000	1	116.2690	0.000	1	116.7517	1.520	15	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){2|Cl<1>,1|C<3>}	115.7935	0.138	2	115.7935	0.019	2	116.7517	1.520	15	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|Cl<1>,2|C<3>}	115.9855	1.433	2	115.9855	2.054	2	116.7517	1.520	15	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl)	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|I<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(H){1|Cl<1>,2|C<3>}	117.0970	0.000	1	117.0970	0.000	1	116.7517	1.520	15	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|N<3>}	114.5400	0.000	1	114.5400	0.000	1	116.7517	1.520	15	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(Cl)	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,2|I<1>}	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|N<3>}	118.3660	0.000	1	118.3660	0.000	1	116.7517	1.520	15	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:Cl-1:	N[5a,6a]-3:N[6a]-2:H-1:	N[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]Cl)	C[6a](C[6a]C[5a,6a]C[5a])(N[6a]C[6a])(Cl)	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(H)	N[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]Cl){1|N<2>,2|C<3>}	C[6a](C[6a]C[5a,6a]C[5a])(N[6a]C[6a])(Cl){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,2|N<2>}	119.0780	0.000	1	119.0780	0.000	1	119.0780	0.000	1	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:F-1:	C[6a]-3:N[6a]-2:F-1:	N[6a](C[6a]C[6a]F)2	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(F)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(F)	N[6a](C[6a]C[6a]F)2{1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(F){1|F<1>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(F){1|C<3>,1|F<1>,1|H<1>}	115.8580	0.000	1	115.8580	0.000	1	115.4840	1.477	130	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:F-1:	C[6a]-3:N[6a]-2:F-1:	N[6a](C[6a]C[6a]F)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(F)	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F)	N[6a](C[6a]C[6a]F)2{1|C<3>,1|C<4>,1|F<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(F){1|C<3>,1|F<1>,1|P<4>}	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F){1|C<3>,1|F<1>,1|P<4>}	115.4510	0.000	1	115.4510	0.000	1	115.4840	1.477	130	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:F-1:	C[6a]-3:N[6a]-2:F-1:	N[6a](C[6a]C[6a]F)2	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(F)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(F)	N[6a](C[6a]C[6a]F)2{1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(F){1|Ir<6>,1|F<1>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(F){1|Ir<6>,1|C<3>,1|F<1>}	114.6962	1.531	21	114.5536	2.239	24	115.4840	1.477	130	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:F-1:	C[6a]-3:N[6a]-2:F-1:	N[6a](C[6a]C[6a]F)2	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(F)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(F)	N[6a](C[6a]C[6a]F)2{1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(F){1|Ir<7>,1|F<1>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(F){1|Ir<7>,1|C<3>,1|F<1>}	113.4635	1.087	2	114.5536	2.239	24	115.4840	1.477	130	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:F-1:	C[6a]-3:N[6a]-2:F-1:	N[6a](C[6a]C[6a]F)2	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(F)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(F)	N[6a](C[6a]C[6a]F)2{1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(F){1|Pt<4>,1|F<1>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(F){1|Pt<4>,1|C<3>,1|F<1>}	113.7400	0.000	1	114.5536	2.239	24	115.4840	1.477	130	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:F-1:	C[6a]-3:N[6a]-2:F-1:	N[6a](C[6a]C[6a]F)2	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(F)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(F)	N[6a](C[6a]C[6a]F)2{2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(F){1|C<3>,1|F<1>,1|N<3>}	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(F){1|C<3>,1|F<1>,1|N<3>}	114.8507	0.305	3	114.8507	0.093	3	115.4840	1.477	130	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:F-1:	C[6a]-3:N[6a]-2:F-1:	N[6a](C[6a]C[6a]F)2	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(F)	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F)	N[6a](C[6a]C[6a]F)2{1|Cl<1>,1|C<3>,1|F<1>}	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(F){1|C<3>,1|F<1>,1|N<3>}	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F){1|C<3>,1|F<1>,1|N<3>}	114.5910	0.000	1	114.5910	0.000	1	115.4840	1.477	130	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:F-1:	C[6a]-3:N[6a]-2:F-1:	N[6a](C[6a]C[6a]F)2	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F)	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F)	N[6a](C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F){1|Al<8>,1|C<3>,1|F<1>}	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F){1|Al<8>,1|C<3>,1|F<1>}	116.0640	0.000	1	115.7890	1.075	95	115.4840	1.477	130	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:F-1:	C[6a]-3:N[6a]-2:F-1:	N[6a](C[6a]C[6a]F)2	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F)	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F)	N[6a](C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F){1|C<3>,1|C<4>,1|F<1>}	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F){1|C<3>,1|C<4>,1|F<1>}	115.4476	0.980	10	115.7890	1.075	95	115.4840	1.477	130	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:F-1:	C[6a]-3:N[6a]-2:F-1:	N[6a](C[6a]C[6a]F)2	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F)	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F)	N[6a](C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F){1|C<3>,1|F<1>,1|H<1>}	117.3780	0.000	1	115.7890	1.075	95	115.4840	1.477	130	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:F-1:	C[6a]-3:N[6a]-2:F-1:	N[6a](C[6a]C[6a]F)2	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F)	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F)	N[6a](C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F){1|C<3>,1|F<1>,1|N<2>}	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F){1|C<3>,1|F<1>,1|N<2>}	114.1720	0.000	1	115.7890	1.075	95	115.4840	1.477	130	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:F-1:	C[6a]-3:N[6a]-2:F-1:	N[6a](C[6a]C[6a]F)2	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F)	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F)	N[6a](C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F){1|C<3>,1|F<1>,1|N<3>}	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F){1|C<3>,1|F<1>,1|N<3>}	116.8349	0.477	8	115.7890	1.075	95	115.4840	1.477	130	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:F-1:	C[6a]-3:N[6a]-2:F-1:	N[6a](C[6a]C[6a]F)2	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F)	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F)	N[6a](C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F){1|C<3>,1|F<1>,1|O<2>}	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F){1|C<3>,1|F<1>,1|O<2>}	116.4675	0.657	11	115.7890	1.075	95	115.4840	1.477	130	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:F-1:	C[6a]-3:N[6a]-2:F-1:	N[6a](C[6a]C[6a]F)2	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F)	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F)	N[6a](C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F){1|C<3>,1|F<1>,1|P<4>}	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F){1|C<3>,1|F<1>,1|P<4>}	116.1870	0.274	2	115.7890	1.075	95	115.4840	1.477	130	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:F-1:	C[6a]-3:N[6a]-2:F-1:	N[6a](C[6a]C[6a]F)2	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F)	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F)	N[6a](C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F){1|C<3>,1|F<1>,1|S<1>}	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F){1|C<3>,1|F<1>,1|S<1>}	114.6520	0.000	1	115.7890	1.075	95	115.4840	1.477	130	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:F-1:	C[6a]-3:N[6a]-2:F-1:	N[6a](C[6a]C[6a]F)2	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F)	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F)	N[6a](C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F){1|C<3>,1|F<1>,1|S<2>}	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F){1|C<3>,1|F<1>,1|S<2>}	117.1505	0.566	2	115.7890	1.075	95	115.4840	1.477	130	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:F-1:	C[6a]-3:N[6a]-2:F-1:	N[6a](C[6a]C[6a]F)2	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F)	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F)	N[6a](C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F){1|C<3>,2|F<1>}	117.5925	0.654	2	115.7890	1.075	95	115.4840	1.477	130	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:F-1:	C[6a]-3:N[6a]-2:F-1:	N[6a](C[6a]C[6a]F)2	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F)	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F)	N[6a](C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F){1|Co<4>,1|C<3>,1|F<1>}	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F){1|Co<4>,1|C<3>,1|F<1>}	114.5670	0.000	1	115.7890	1.075	95	115.4840	1.477	130	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:F-1:	C[6a]-3:N[6a]-2:F-1:	N[6a](C[6a]C[6a]F)2	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F)	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F)	N[6a](C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F){1|Co<5>,1|C<3>,1|F<1>}	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F){1|Co<5>,1|C<3>,1|F<1>}	114.9200	0.000	1	115.7890	1.075	95	115.4840	1.477	130	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:F-1:	C[6a]-3:N[6a]-2:F-1:	N[6a](C[6a]C[6a]F)2	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F)	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F)	N[6a](C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F){1|F<1>,2|C<3>}	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F){1|F<1>,2|C<3>}	116.1531	0.518	17	115.7890	1.075	95	115.4840	1.477	130	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:F-1:	C[6a]-3:N[6a]-2:F-1:	N[6a](C[6a]C[6a]F)2	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F)	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F)	N[6a](C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F){1|Ge<4>,1|C<3>,1|F<1>}	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F){1|Ge<4>,1|C<3>,1|F<1>}	115.7715	0.073	2	115.7890	1.075	95	115.4840	1.477	130	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:F-1:	C[6a]-3:N[6a]-2:F-1:	N[6a](C[6a]C[6a]F)2	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F)	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F)	N[6a](C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F){1|Ir<4>,1|C<3>,1|F<1>}	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F){1|Ir<4>,1|C<3>,1|F<1>}	114.4822	0.549	4	115.7890	1.075	95	115.4840	1.477	130	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:F-1:	C[6a]-3:N[6a]-2:F-1:	N[6a](C[6a]C[6a]F)2	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F)	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F)	N[6a](C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F){1|Ir<5>,1|C<3>,1|F<1>}	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F){1|Ir<5>,1|C<3>,1|F<1>}	114.6980	0.349	3	115.7890	1.075	95	115.4840	1.477	130	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:F-1:	C[6a]-3:N[6a]-2:F-1:	N[6a](C[6a]C[6a]F)2	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F)	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F)	N[6a](C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F){1|Ir<6>,1|C<3>,1|F<1>}	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F){1|Ir<6>,1|C<3>,1|F<1>}	113.7360	0.091	2	115.7890	1.075	95	115.4840	1.477	130	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:F-1:	C[6a]-3:N[6a]-2:F-1:	N[6a](C[6a]C[6a]F)2	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F)	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F)	N[6a](C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F){1|Ir<7>,1|C<3>,1|F<1>}	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F){1|Ir<7>,1|C<3>,1|F<1>}	114.0620	0.000	1	115.7890	1.075	95	115.4840	1.477	130	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:F-1:	C[6a]-3:N[6a]-2:F-1:	N[6a](C[6a]C[6a]F)2	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F)	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F)	N[6a](C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F){1|Mg<4>,1|C<3>,1|F<1>}	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F){1|Mg<4>,1|C<3>,1|F<1>}	115.9390	0.000	1	115.7890	1.075	95	115.4840	1.477	130	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:F-1:	C[6a]-3:N[6a]-2:F-1:	N[6a](C[6a]C[6a]F)2	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F)	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F)	N[6a](C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F){1|Ni<4>,1|C<3>,1|F<1>}	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F){1|Ni<4>,1|C<3>,1|F<1>}	114.4520	0.000	1	115.7890	1.075	95	115.4840	1.477	130	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:F-1:	C[6a]-3:N[6a]-2:F-1:	N[6a](C[6a]C[6a]F)2	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F)	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F)	N[6a](C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F){1|Pd<4>,1|C<3>,1|F<1>}	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F){1|Pd<4>,1|C<3>,1|F<1>}	114.8503	0.551	4	115.7890	1.075	95	115.4840	1.477	130	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:F-1:	C[6a]-3:N[6a]-2:F-1:	N[6a](C[6a]C[6a]F)2	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F)	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F)	N[6a](C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F){1|Rh<4>,1|C<3>,1|F<1>}	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F){1|Rh<4>,1|C<3>,1|F<1>}	114.8343	0.365	3	115.7890	1.075	95	115.4840	1.477	130	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:F-1:	C[6a]-3:N[6a]-2:F-1:	N[6a](C[6a]C[6a]F)2	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F)	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F)	N[6a](C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F){1|Rh<5>,1|C<3>,1|F<1>}	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F){1|Rh<5>,1|C<3>,1|F<1>}	114.6123	0.200	3	115.7890	1.075	95	115.4840	1.477	130	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:F-1:	C[6a]-3:N[6a]-2:F-1:	N[6a](C[6a]C[6a]F)2	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F)	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F)	N[6a](C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F){1|Rh<8>,1|C<3>,1|F<1>}	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F){1|Rh<8>,1|C<3>,1|F<1>}	114.5160	0.000	1	115.7890	1.075	95	115.4840	1.477	130	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:F-1:	C[6a]-3:N[6a]-2:F-1:	N[6a](C[6a]C[6a]F)2	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F)	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F)	N[6a](C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F){1|Ru<5>,1|C<3>,1|F<1>}	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F){1|Ru<5>,1|C<3>,1|F<1>}	114.3870	0.000	1	115.7890	1.075	95	115.4840	1.477	130	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:F-1:	C[6a]-3:N[6a]-2:F-1:	N[6a](C[6a]C[6a]F)2	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F)	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F)	N[6a](C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F){1|Se<2>,1|C<3>,1|F<1>}	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F){1|Se<2>,1|C<3>,1|F<1>}	116.6422	0.346	5	115.7890	1.075	95	115.4840	1.477	130	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:F-1:	C[6a]-3:N[6a]-2:F-1:	N[6a](C[6a]C[6a]F)2	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F)	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F)	N[6a](C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F){1|Si<4>,1|C<3>,1|F<1>}	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F){1|Si<4>,1|C<3>,1|F<1>}	115.8940	0.000	1	115.7890	1.075	95	115.4840	1.477	130	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:F-1:	C[6a]-3:N[6a]-2:F-1:	N[6a](C[6a]C[6a]F)2	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F)	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F)	N[6a](C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F){1|Si<5>,1|C<3>,1|F<1>}	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F){1|Si<5>,1|C<3>,1|F<1>}	115.7960	0.000	1	115.7890	1.075	95	115.4840	1.477	130	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:F-1:	C[6a]-3:N[6a]-2:F-1:	N[6a](C[6a]C[6a]F)2	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F)	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F)	N[6a](C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F){1|Sn<4>,1|C<3>,1|F<1>}	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F){1|Sn<4>,1|C<3>,1|F<1>}	116.0890	0.345	2	115.7890	1.075	95	115.4840	1.477	130	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:F-1:	C[6a]-3:N[6a]-2:F-1:	N[6a](C[6a]C[6a]F)2	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F)	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F)	N[6a](C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F){1|Te<2>,1|C<3>,1|F<1>}	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F){1|Te<2>,1|C<3>,1|F<1>}	116.1155	0.374	2	115.7890	1.075	95	115.4840	1.477	130	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:F-1:	C[6a]-3:N[6a]-2:F-1:	N[6a](C[6a]C[6a]F)2	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(F)	N[6a](C[6a]C[6a]F)2{1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F){1|C<3>,1|F<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(F){1|C<3>,1|F<1>,1|N<3>}	114.5130	0.000	2	114.5130	0.000	2	115.4840	1.477	130	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:F-1:	C[6a]-3:N[6a]-2:F-1:	N[6a](C[6a]C[6a]F)2	C[6a](C[6a]C[6a]Ni)(N[6a]C[6a])(F)	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F)	N[6a](C[6a]C[6a]F)2{1|Ni<4>,1|C<3>,1|F<1>}	C[6a](C[6a]C[6a]Ni)(N[6a]C[6a])(F){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F){1|C<3>,2|F<1>}	115.3650	0.328	2	115.3650	0.108	2	115.4840	1.477	130	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:F-1:	C[6a]-3:N[6a]-2:F-1:	N[6a](C[6a]C[6a]F)2	C[6a](C[6a]C[6a]Rh)(N[6a]C[6a])(F)	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F)	N[6a](C[6a]C[6a]F)2{1|Rh<8>,1|C<3>,1|F<1>}	C[6a](C[6a]C[6a]Rh)(N[6a]C[6a])(F){1|C<3>,1|F<1>,1|N<3>}	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F){1|C<3>,1|F<1>,1|N<3>}	113.4690	0.000	1	113.4690	0.000	1	115.4840	1.477	130	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:F-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]F)(C[6a]C[6a]H)	C[6a](C[6a]B[5a]C[6a])(N[6a]C[6a])(F)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]F)(C[6a]C[6a]H){1|B<4>,1|C<3>,1|H<1>}	C[6a](C[6a]B[5a]C[6a])(N[6a]C[6a])(F){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|F<1>,1|H<1>}	115.4446	0.567	15	115.4446	0.322	15	115.3522	0.514	20	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:F-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]F)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(F)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]F)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(F){1|H<1>,1|I<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|F<1>,1|I<1>}	116.1865	0.657	2	116.1865	0.432	2	115.3522	0.514	20	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:F-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]F)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(F)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]F)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(F){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|F<1>}	114.3340	0.313	3	114.3340	0.098	3	115.3522	0.514	20	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a,6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]C[5a])(N[6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H){3|C<3>}	C[6a](C[6a]C[6a,6a]C[5a])(N[6a]C[6a])(H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H){2|H<1>,3|C<3>}	116.8700	0.000	1	116.8700	0.000	1	116.8700	0.000	1	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:Br-1:	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H){1|Br<1>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br){1|C<3>,2|H<1>}	116.8493	0.225	3	116.8493	0.051	3	117.3123	1.842	34	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:Br-1:	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]B)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H){1|B<3>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]B)(N[6a]C[6a])(H){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br){1|C<3>,2|H<1>}	116.6640	0.119	3	116.6640	0.014	3	117.3123	1.842	34	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:Br-1:	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br){1|C<3>,2|H<1>}	117.4630	0.000	1	117.4630	0.000	1	117.3123	1.842	34	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:Br-1:	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|I<1>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|Br<1>,2|C<3>}	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(Br){1|H<1>,2|C<3>}	118.5190	0.205	2	118.5190	0.042	2	117.3123	1.842	34	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:Br-1:	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br){1|C<3>,2|H<1>}	115.9915	0.165	2	116.0127	0.015	3	117.3123	1.842	34	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:Br-1:	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br){1|C<3>,2|H<1>}	116.0550	0.000	1	116.0127	0.015	3	117.3123	1.842	34	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:Br-1:	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br){1|C<3>,2|H<1>}	116.3740	0.000	1	116.0973	0.746	4	117.3123	1.842	34	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:Br-1:	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br){1|C<3>,2|H<1>}	115.9870	0.000	1	116.0973	0.746	4	117.3123	1.842	34	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:Br-1:	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H){1|Br<1>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br){1|C<3>,2|H<1>}	114.9810	0.000	1	116.0973	0.746	4	117.3123	1.842	34	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:Br-1:	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H){1|Br<1>,1|C<3>,1|H<1>,2|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br){1|C<3>,2|H<1>}	117.0470	0.000	1	116.0973	0.746	4	117.3123	1.842	34	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:Br-1:	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|I<1>}	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H){1|Br<1>,2|C<3>}	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(Br){1|H<1>,2|C<3>}	118.7955	0.354	2	118.7955	0.126	2	117.3123	1.842	34	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:Br-1:	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(Br){2|H<1>,3|C<3>}	116.6310	0.000	1	116.6310	0.000	1	117.3123	1.842	34	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:Br-1:	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Br){1|C<3>,2|H<1>}	118.3040	0.000	1	117.3436	1.119	5	117.3123	1.842	34	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:Br-1:	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Br){1|C<3>,2|H<1>}	117.1035	1.053	4	117.3436	1.119	5	117.3123	1.842	34	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:Br-1:	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br){1|C<3>,2|H<1>}	116.6810	0.205	2	116.6810	0.042	2	117.3123	1.842	34	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:Br-1:	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(Br){1|C<3>,2|H<1>}	117.4705	0.021	2	118.3371	3.917	7	117.3123	1.842	34	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:Br-1:	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(Br){1|C<3>,2|H<1>}	118.6838	2.313	5	118.3371	3.917	7	117.3123	1.842	34	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:Br-1:	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br){1|C<3>,2|H<1>}	118.4890	0.000	1	118.4890	0.000	1	117.3123	1.842	34	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:Cl-1:	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]C[5,6]C[6a])(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[5,6]C[6a])(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl){1|C<3>,2|H<1>}	115.1030	0.000	1	115.1030	0.000	1	116.6335	0.523	197	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:Cl-1:	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>,1|O<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl){1|C<3>,2|H<1>}	116.5440	0.000	1	116.3710	0.060	2	116.6335	0.523	197	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:Cl-1:	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|H<1>,2|N<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl){1|C<3>,2|H<1>}	116.1980	0.000	1	116.3710	0.060	2	116.6335	0.523	197	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:Cl-1:	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H){1|Cl<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Cl){1|C<3>,2|H<1>}	117.3965	0.238	2	117.3965	0.057	2	116.6335	0.523	197	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:Cl-1:	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]B)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|B<3>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]B)(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl){1|C<3>,2|H<1>}	116.5090	0.000	1	116.5090	0.000	1	116.6335	0.523	197	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:Cl-1:	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]B[5])(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|Cl<1>,1|B<3>,1|C<3>}	C[6a](C[6a]C[6a]B[5])(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|H<1>,2|O<2>}	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(Cl){1|C<3>,2|H<1>}	116.8640	0.000	2	116.8640	0.000	2	116.6335	0.523	197	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:Cl-1:	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|Br<1>,2|C<3>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|Cl<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(Cl){1|H<1>,4|C<3>}	117.5990	0.099	2	117.5990	0.010	2	116.6335	0.523	197	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:Cl-1:	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|Br<1>,1|C<2>,1|C<3>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|Cl<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Cl){1|H<1>,2|C<3>}	117.8820	0.151	2	117.3640	0.373	4	116.6335	0.523	197	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:Cl-1:	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|Br<1>,2|C<3>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Cl){1|C<3>,2|H<1>}	116.8460	0.151	2	117.3640	0.373	4	116.6335	0.523	197	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:Cl-1:	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|Cl<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl){1|H<1>,2|C<3>}	116.9021	0.568	12	116.9021	0.323	12	116.6335	0.523	197	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:Cl-1:	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|I<1>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|Cl<1>,2|C<3>}	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(Cl){1|H<1>,2|C<3>}	118.0358	0.470	6	118.0358	0.220	6	116.6335	0.523	197	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:Cl-1:	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]Si)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|Br<1>,1|Si<4>,1|C<3>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|Cl<1>,2|C<3>}	C[6a](C[6a]C[6a]Si)(N[6a]C[6a])(Cl){1|H<1>,2|C<3>}	116.6240	0.246	2	116.6240	0.061	2	116.6335	0.523	197	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:Cl-1:	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]Sn)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|Br<1>,1|Sn<4>,1|C<3>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|Cl<1>,2|C<3>}	C[6a](C[6a]C[6a]Sn)(N[6a]C[6a])(Cl){1|H<1>,2|C<3>}	116.4210	0.109	2	116.4210	0.012	2	116.6335	0.523	197	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:Cl-1:	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Cl){1|C<3>,2|H<1>}	117.3253	0.277	3	117.2332	0.085	4	116.6335	0.523	197	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:Cl-1:	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Cl){1|C<3>,2|H<1>}	116.9570	0.000	1	117.2332	0.085	4	116.6335	0.523	197	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:Cl-1:	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl){1|C<3>,2|H<1>}	116.4015	0.002	2	116.1627	0.195	74	116.6335	0.523	197	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:Cl-1:	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|Cl<1>,1|B<3>,1|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl){1|B<3>,1|C<3>,1|H<1>}	116.9480	0.000	1	116.1627	0.195	74	116.6335	0.523	197	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:Cl-1:	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl){1|C<3>,2|H<1>}	116.1484	0.414	59	116.1627	0.195	74	116.6335	0.523	197	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:Cl-1:	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl){1|C<3>,2|H<1>}	116.1277	0.567	12	116.1627	0.195	74	116.6335	0.523	197	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:Cl-1:	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(Cl){1|C<3>,2|H<1>}	117.3015	0.039	2	117.3015	0.002	2	116.6335	0.523	197	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:Cl-1:	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl){1|C<3>,2|H<1>}	116.5840	0.000	1	116.0582	0.331	5	116.6335	0.523	197	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:Cl-1:	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl){1|C<3>,2|H<1>}	115.6120	0.720	2	116.0582	0.331	5	116.6335	0.523	197	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:Cl-1:	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl){1|C<3>,2|H<1>}	116.0630	0.000	1	116.0582	0.331	5	116.6335	0.523	197	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:Cl-1:	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>,1|O<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl){1|C<3>,2|H<1>}	116.4200	0.000	1	116.0582	0.331	5	116.6335	0.523	197	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:Cl-1:	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(Cl){1|C<3>,2|H<1>}	118.4050	0.000	1	118.4050	0.000	1	116.6335	0.523	197	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:Cl-1:	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]N[6])(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]N[6])(N[6a]C[6a])(Cl){2|H<1>,3|C<3>}	118.5790	0.000	1	118.5790	0.000	1	116.6335	0.523	197	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:Cl-1:	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Cl){1|C<3>,2|H<1>}	116.8010	0.608	34	116.8010	0.369	34	116.6335	0.523	197	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:Cl-1:	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl){1|C<3>,2|H<1>}	115.9660	0.000	1	115.9660	0.000	1	116.6335	0.523	197	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:Cl-1:	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(Cl){1|C<3>,2|H<1>}	116.6860	0.485	2	117.1446	0.651	9	116.6335	0.523	197	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:Cl-1:	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(Cl){1|C<3>,1|C<4>,1|H<1>}	116.5280	0.000	1	117.1446	0.651	9	116.6335	0.523	197	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:Cl-1:	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(Cl){1|C<3>,2|H<1>}	117.4002	0.869	6	117.1446	0.651	9	116.6335	0.523	197	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:Cl-1:	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(Cl){2|H<1>,3|C<3>}	117.1270	0.000	1	117.1270	0.000	1	116.6335	0.523	197	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:Cl-1:	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(Cl){1|C<3>,2|H<1>}	116.9446	0.671	18	116.9446	0.450	18	116.6335	0.523	197	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:Cl-1:	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]S)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]S)(N[6a]C[6a])(Cl){1|C<3>,2|H<1>}	116.9710	0.000	1	116.9710	0.000	1	116.6335	0.523	197	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:Cl-1:	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl){1|C<3>,2|H<1>}	116.6690	0.000	1	116.6690	0.000	1	116.6335	0.523	197	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:Cl-1:	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]S)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6a]S)(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl){1|C<3>,2|H<1>}	116.3720	0.058	2	116.3720	0.003	2	116.6335	0.523	197	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:Cl-1:	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]Si)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|Si<4>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Si)(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl){1|C<3>,2|H<1>}	117.1390	0.000	1	117.1390	0.000	1	116.6335	0.523	197	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:Cl-1:	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|O<2>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|Cl<1>,1|C<3>}	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(Cl){1|C<3>,1|H<1>}	116.4254	0.483	5	116.4254	0.233	5	116.6335	0.523	197	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:Cl-1:	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]S)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|S<2>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|Cl<1>,1|C<3>}	C[6a](C[6a]N[6a]S)(N[6a]C[6a])(Cl){1|C<3>,1|H<1>}	116.0120	0.000	1	116.0120	0.000	1	116.6335	0.523	197	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:F-1:	N[6a](C[6a]C[6a]F)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(F)	N[6a](C[6a]C[6a]F)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H){1|F<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(F){1|C<3>,2|H<1>}	115.5458	0.281	5	115.5458	0.079	5	115.5467	0.062	9	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:F-1:	N[6a](C[6a]C[6a]F)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(F)	N[6a](C[6a]C[6a]F)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(F){1|C<3>,2|H<1>}	115.6370	0.065	2	115.6370	0.004	2	115.5467	0.062	9	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:F-1:	N[6a](C[6a]C[6a]F)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5])(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(F)	N[6a](C[6a]C[6a]F)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N[5])(N[6a]C[6a])(H){1|F<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(F){1|C<3>,2|H<1>}	115.1880	0.000	1	115.1880	0.000	1	115.5467	0.062	9	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:F-1:	N[6a](C[6a]C[6a]F)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]Si)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(F)	N[6a](C[6a]C[6a]F)(C[6a]C[6a]H){1|Si<4>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Si)(N[6a]C[6a])(H){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(F){1|C<3>,2|H<1>}	115.7290	0.000	1	115.7290	0.000	1	115.5467	0.062	9	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]B[5,5]C[6a])(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{1|B<4>,1|C<3>,1|H<1>}	C[6a](C[6a]B[5,5]C[6a])(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>,1|N<4>,2|O<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	115.7590	0.000	1	115.7590	0.000	1	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]B[5,5]N[6a])(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{1|B<4>,1|H<1>,1|N<2>}	C[6a](C[6a]B[5,5]N[6a])(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<4>,2|O<2>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	115.4490	0.000	1	115.4490	0.000	1	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H)	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{3|C<3>}	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	117.9250	0.000	1	117.6717	0.059	3	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H)	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{3|C<3>}	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H){1|N<2>,2|C<3>,2|H<1>}	117.4390	0.000	1	117.6717	0.059	3	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H)	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{3|C<3>}	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H){1|O<2>,2|C<3>,2|H<1>}	117.6510	0.000	1	117.6717	0.059	3	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{3|C<3>}	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H){2|H<1>,3|C<3>}	117.0330	0.000	1	117.0330	0.000	1	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{1|Br<1>,2|C<3>}	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	117.8610	0.000	1	117.8610	0.000	1	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{3|C<3>}	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H){1|C<3>,2|H<1>,2|N<3>}	117.2840	0.000	1	117.2610	0.002	3	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{3|C<3>}	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H){1|N<2>,2|C<3>,2|H<1>}	117.2495	0.059	2	117.2610	0.002	3	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{1|H<1>,2|C<3>}	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	117.3204	0.668	14	117.1463	0.924	77	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{1|H<1>,2|C<3>}	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	117.0122	0.474	9	117.1463	0.924	77	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{1|H<1>,2|C<3>}	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	117.2145	1.180	8	117.1463	0.924	77	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{1|H<1>,2|C<3>}	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H){1|C<3>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	116.2197	1.106	10	117.1463	0.924	77	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{1|H<1>,2|C<3>}	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	117.0149	0.446	10	117.1463	0.924	77	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{1|H<1>,2|C<3>}	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	117.8599	0.966	19	117.1463	0.924	77	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{1|H<1>,2|C<3>}	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	116.6620	0.588	2	117.1463	0.924	77	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{1|H<1>,2|C<3>}	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H){1|S<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	116.3894	0.363	5	117.1463	0.924	77	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	116.1021	0.470	16	116.0396	0.695	25	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>,1|O<2>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	115.1997	0.404	3	116.0396	0.695	25	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	115.3180	0.000	1	116.0396	0.695	25	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a])(H){1|C<3>,1|H<1>,2|N<2>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	116.4876	1.528	5	116.0396	0.695	25	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[5x3,5x5,20x6]C[6a])(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{1|C<3>,1|C<6>,1|H<1>}	C[6a](C[6a]C[5x3,5x5,20x6]C[6a])(N[6a]C[6a])(H){1|C<3>,1|C<6>,2|H<1>,4|B<6>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	117.3080	0.000	1	117.3080	0.000	1	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6,6]C[6a])(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6,6]C[6a])(N[6a]C[6a])(H){1|C<3>,2|N<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	116.5132	0.444	6	116.5132	0.197	6	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{3|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H){1|H<1>,1|N<3>,3|C<3>}	116.5240	0.000	1	116.7000	0.028	3	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{3|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H){1|H<1>,4|C<3>}	116.8550	0.000	1	116.7000	0.028	3	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{3|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H){2|H<1>,3|C<3>}	116.7210	0.000	1	116.7000	0.028	3	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	116.6770	0.216	2	116.6770	0.047	2	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H){1|C<2>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<2>,1|C<3>,1|H<1>}	116.5317	0.182	3	116.5958	0.994	81	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H){1|C<3>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	116.0880	1.727	7	116.5958	0.994	81	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	116.3900	0.000	1	116.5958	0.994	81	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	116.6991	1.023	23	116.5958	0.994	81	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	116.8980	0.000	1	116.5958	0.994	81	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	116.6236	0.898	46	116.5958	0.994	81	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	117.9445	0.070	2	117.9445	0.005	2	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]S)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{1|S<4>,2|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H){1|C<3>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]S)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	117.2460	0.000	1	116.9840	0.137	2	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]S)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{1|S<4>,2|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]S)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	116.7220	0.000	1	116.9840	0.137	2	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]B)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{1|B<4>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]B)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	116.6685	0.299	4	116.6685	0.090	4	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{1|Br<1>,2|C<3>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H){1|H<1>,4|C<3>}	117.0404	0.540	9	117.0404	0.292	9	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{2|Br<1>,1|C<3>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	118.9945	0.544	4	118.7838	0.444	5	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{2|Br<1>,1|C<3>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	117.9410	0.000	1	118.7838	0.444	5	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{1|Br<1>,1|C<2>,1|C<3>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	117.6910	0.055	2	117.7063	0.388	10	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{1|Br<1>,2|C<3>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	117.7101	0.706	8	117.7063	0.388	10	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	120.8353	2.918	3	119.9383	8.896	4	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	117.2470	0.000	1	119.9383	8.896	4	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{1|Br<1>,1|C<3>,1|N<2>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	116.3820	0.515	3	116.3820	0.266	3	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{1|Br<1>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	119.3870	0.000	2	119.3870	0.000	2	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{1|C<2>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	116.6540	0.000	1	117.3931	1.892	52	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{1|C<3>,2|C<2>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	116.9398	1.201	5	117.3931	1.892	52	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|B<3>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|B<3>,1|C<3>,1|H<1>}	115.7050	0.000	1	117.3931	1.892	52	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	117.7056	1.548	19	117.3931	1.892	52	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	117.3632	0.110	4	117.3931	1.892	52	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|Ru<6>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|Ru<6>,1|C<3>,1|H<1>}	116.4230	0.000	1	117.3931	1.892	52	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{3|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	117.3858	1.420	21	117.3931	1.892	52	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{1|F<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	118.2510	0.000	1	118.2510	0.000	1	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<2>,1|C<3>,1|H<1>}	116.0143	0.441	3	117.0986	1.096	699	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	116.0745	0.371	2	117.0986	1.096	699	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>}	115.9110	0.000	1	117.0986	1.096	699	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	117.1801	0.840	48	117.0986	1.096	699	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	117.0540	0.027	2	117.0986	1.096	699	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	116.7899	0.784	18	117.0986	1.096	699	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	116.3663	0.943	3	117.0986	1.096	699	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	116.9582	1.117	166	117.0986	1.096	699	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	117.2344	1.614	10	117.0986	1.096	699	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	115.0938	0.516	4	117.0986	1.096	699	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|O<2>}	115.8110	0.285	4	117.0986	1.096	699	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	117.2068	1.014	429	117.0986	1.096	699	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	116.9974	0.899	9	117.0986	1.096	699	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<2>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	117.3547	0.168	3	117.4774	0.671	5	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	117.6615	1.586	2	117.4774	0.671	5	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{1|C<2>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	117.9414	0.631	5	118.0719	0.464	7	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	117.7290	0.000	1	118.0719	0.464	7	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	119.0670	0.000	1	118.0719	0.464	7	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[3])(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]C[3])(N[6a]C[6a])(H){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	117.8735	0.142	2	117.8735	0.020	2	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[4])(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]C[4])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C[4])(N[6a]C[6a])(H){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[4])(N[6a]C[6a])(H){1|C<3>,2|C<4>,3|H<1>}	116.8300	0.116	2	116.8300	0.013	2	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[4])(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[4])(N[6a]C[6a])(H){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	116.5563	0.288	3	116.5035	0.067	4	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[4])(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[4])(N[6a]C[6a])(H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	116.3450	0.000	1	116.5035	0.067	4	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H){2|H<1>,3|C<3>}	117.3600	0.000	1	117.3600	0.000	1	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H){1|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	117.1555	0.076	2	117.1555	0.006	2	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{3|C<3>}	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H){1|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H){1|C<3>,2|H<1>,2|N<3>}	118.5007	0.758	3	118.5007	0.575	3	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	116.6110	0.366	4	117.0086	1.503	34	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|N<4>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	119.0240	0.303	2	117.0086	1.503	34	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	117.0590	0.556	2	117.0086	1.503	34	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	116.1610	0.000	1	117.0086	1.503	34	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H){1|Co<9>,1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	115.2360	0.000	1	117.0086	1.503	34	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H){1|Fe<10>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	115.7380	0.000	1	117.0086	1.503	34	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	117.4730	0.000	1	117.0086	1.503	34	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	115.7440	0.000	1	117.0086	1.503	34	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	117.5370	0.000	1	117.0086	1.503	34	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H){1|C<3>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	116.7260	0.000	1	117.0086	1.503	34	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H){1|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	118.1315	1.938	6	117.0086	1.503	34	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	116.5805	0.628	4	117.0086	1.503	34	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	116.6619	0.617	9	117.0086	1.503	34	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	117.3885	0.179	2	116.8579	0.426	23	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(H){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	116.9060	0.000	1	116.8579	0.426	23	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(H){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	116.4260	0.570	2	116.8579	0.426	23	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(H){1|C<3>,2|O<2>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	117.0220	0.000	1	116.8579	0.426	23	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(H){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	116.4200	0.000	1	116.8579	0.426	23	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	116.9893	0.403	3	116.8579	0.426	23	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(H){1|C<3>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	117.0620	0.000	1	116.8579	0.426	23	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	117.5570	0.000	1	116.8579	0.426	23	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	116.7425	0.826	11	116.8579	0.426	23	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	117.9095	0.965	6	117.9095	0.932	6	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	118.5010	0.000	1	118.4976	0.430	5	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	118.4967	0.757	4	118.4976	0.430	5	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	117.2270	0.000	1	117.2270	0.000	1	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|Au<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|Au<2>,1|C<3>,1|H<1>}	115.2440	0.000	1	116.7284	2.240	4755	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|Au<3>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|Au<3>,1|C<3>,1|H<1>}	115.2415	1.817	4	116.7284	2.240	4755	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|B<3>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|B<3>,1|C<3>,1|H<1>}	116.0870	0.000	1	116.7284	2.240	4755	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|B<4>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|B<4>,1|C<3>,1|H<1>}	115.8070	0.000	1	116.7284	2.240	4755	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<2>,1|C<3>,1|H<1>}	116.5638	1.201	190	116.7284	2.240	4755	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	116.5863	1.356	621	116.7284	2.240	4755	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|I<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|I<1>}	115.1840	0.000	1	116.7284	2.240	4755	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<1>}	117.3550	0.000	1	116.7284	2.240	4755	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>}	117.1732	1.294	109	116.7284	2.240	4755	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	115.6407	1.028	182	116.7284	2.240	4755	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|O<2>}	116.4282	1.692	5	116.7284	2.240	4755	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|O<4>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|O<4>}	120.7360	0.180	2	116.7284	2.240	4755	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|S<2>}	116.6513	2.098	64	116.7284	2.240	4755	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|S<4>}	118.1582	2.800	4	116.7284	2.240	4755	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	117.3714	2.023	575	116.7284	2.240	4755	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|Fe<8>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|Fe<8>,1|C<3>,1|H<1>}	113.8130	0.000	1	116.7284	2.240	4755	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	116.6993	1.372	2985	116.7284	2.240	4755	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|Se<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|Se<2>,1|C<3>,1|H<1>}	115.6077	1.098	7	116.7284	2.240	4755	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|Se<3>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|Se<3>,1|C<3>,1|H<1>}	116.2810	0.000	1	116.7284	2.240	4755	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|I<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	117.6690	0.000	1	117.6690	0.000	1	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|N<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	124.1807	0.903	3	117.7126	2.465	213	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	115.0920	0.229	2	117.7126	2.465	213	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|O<2>}	116.2920	0.000	1	117.7126	2.465	213	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	117.3546	0.852	50	117.7126	2.465	213	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	117.6105	0.190	2	117.7126	2.465	213	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	116.3495	2.743	4	117.7126	2.465	213	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|O<2>}	117.5468	1.423	4	117.7126	2.465	213	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	117.8562	1.396	138	117.7126	2.465	213	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|H<1>}	117.5340	0.000	1	117.7126	2.465	213	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	116.0155	0.642	6	117.7126	2.465	213	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|Sn<4>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|Sn<4>,1|C<3>,1|H<1>}	116.4940	0.000	1	117.7126	2.465	213	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|N<4>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	120.9610	0.000	1	117.7126	2.465	213	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	116.9520	0.691	21	116.9329	0.463	22	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	116.5310	0.000	1	116.9329	0.463	22	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]P)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|P<4>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]P)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	117.1680	0.477	2	117.1680	0.227	2	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]S)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]S)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	116.0440	0.000	1	116.1084	0.502	12	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]S)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]S)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|O<2>}	115.6905	0.390	2	116.1084	0.502	12	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]S)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]S)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	115.5420	0.651	4	116.1084	0.502	12	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]S)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]S)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	116.7223	0.386	4	116.1084	0.502	12	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]S)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]S)(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|H<1>}	116.8190	0.000	1	116.1084	0.502	12	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{1|C<3>,2|I<1>}	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(H){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(H){1|Br<1>,1|C<3>,1|H<1>}	118.0050	0.000	1	117.6320	0.278	2	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{1|C<3>,2|I<1>}	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|I<1>}	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|I<1>}	117.2590	0.000	1	117.6320	0.278	2	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{1|C<3>,2|N<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	115.8490	0.000	1	115.8490	0.000	1	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5])(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N[5])(N[6a]C[6a])(H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	116.8300	0.000	1	116.0212	0.419	6	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5])(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N[5])(N[6a]C[6a])(H){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|O<2>}	115.8640	0.000	1	116.0212	0.419	6	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5])(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N[5])(N[6a]C[6a])(H){1|H<1>,2|C<3>,2|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	115.0100	0.000	1	116.0212	0.419	6	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5])(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N[5])(N[6a]C[6a])(H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	116.1410	0.420	3	116.0212	0.419	6	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N[5a])(N[6a]C[6a])(H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	117.3295	0.595	2	117.3717	0.182	3	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N[5a])(N[6a]C[6a])(H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	117.4560	0.000	1	117.3717	0.182	3	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]N[5a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{1|C<3>,2|N<3>}	C[6a](C[6a]C[6a]N[5a])(N[6a]C[6a])(H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(N[6a]C[6a])(H){1|N<2>,2|C<3>,2|H<1>}	118.0660	0.000	1	118.2647	0.030	3	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]N[5a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{1|C<3>,2|N<3>}	C[6a](C[6a]C[6a]N[5a])(N[6a]C[6a])(H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(N[6a]C[6a])(H){2|H<1>,3|C<3>}	118.3640	0.000	2	118.2647	0.030	3	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N[6])(N[6a]C[6a])(H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	117.7190	0.000	1	117.0553	1.145	3	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N[6])(N[6a]C[6a])(H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	116.7235	1.276	2	117.0553	1.145	3	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	116.0860	0.000	1	116.0860	0.000	1	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(H){1|C<3>,1|H<1>,2|N<2>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	115.3865	0.469	6	115.8169	0.328	14	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(H){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	116.1950	0.419	7	115.8169	0.328	14	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(H){1|H<1>,3|C<3>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	115.7530	0.000	1	115.8169	0.328	14	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]Se)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]Se)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{2|Se<2>,1|C<3>}	C[6a](C[6a]C[6a]Se)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Se)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	117.7260	0.000	1	117.7260	0.000	1	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]N[5,6]C[6a])(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]N[5,6]C[6a])(N[6a]C[6a])(H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	117.4750	0.000	1	117.4750	0.000	1	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]N[5a]N[6a])(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{1|H<1>,1|N<2>,1|N<3>}	C[6a](C[6a]N[5a]N[6a])(N[6a]C[6a])(H){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	116.5215	0.398	2	116.5215	0.158	2	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]N[6a]2)(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{1|H<1>,1|N<2>,1|N<3>}	C[6a](C[6a]N[6a]2)(N[6a]C[6a])(H){1|H<1>,3|C<3>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	116.2750	0.000	1	116.2750	0.000	1	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{1|N<2>,2|C<2>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	116.6610	0.646	8	116.6603	0.400	11	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{1|N<2>,2|C<4>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	116.6583	0.736	3	116.6603	0.400	11	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{1|C<2>,1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	115.9540	0.294	6	115.7581	0.555	215	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	115.7136	0.690	188	115.7581	0.555	215	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{1|C<4>,1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	116.1006	1.146	21	115.7581	0.555	215	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|O<2>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	116.3030	0.000	1	116.3030	0.000	1	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]N[6a]C[5])(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]C[5])(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	116.9558	0.845	5	116.8016	0.559	12	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]N[6a]C[5])(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]C[5])(N[6a]C[6a])(H){1|C<3>,1|H<1>,2|N<2>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	116.8713	0.375	3	116.8016	0.559	12	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]N[6a]C[5])(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{1|C<4>,1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]C[5])(N[6a]C[6a])(H){1|Fe<10>,1|C<3>,1|H<1>,2|C<4>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	116.5565	0.937	4	116.8016	0.559	12	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]N[6a]C[6])(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]C[6])(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	116.6745	0.037	2	116.0968	0.216	6	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]N[6a]C[6])(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{1|C<4>,1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]C[6])(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	115.7330	0.069	3	116.0968	0.216	6	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]N[6a]C[6])(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{1|C<4>,1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]C[6])(N[6a]C[6a])(H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	116.0330	0.000	1	116.0968	0.216	6	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]N[6a]Cl)(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{1|Cl<1>,1|N<2>,1|O<2>}	C[6a](C[6a]N[6a]Cl)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	117.2481	0.285	7	117.2481	0.081	7	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{1|N<2>,2|H<1>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	116.3455	1.074	99	116.3455	1.152	99	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{1|H<1>,1|N<2>,1|N<3>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	117.1930	0.899	26	117.0355	0.975	30	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{1|H<1>,2|N<2>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	116.0115	1.036	4	117.0355	0.975	30	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{1|H<1>,1|N<2>,1|O<2>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	116.3017	0.388	9	116.3017	0.151	9	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]P)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{1|H<1>,1|N<2>,1|P<4>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]P)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	117.4780	0.000	1	117.4780	0.000	1	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]S)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{1|H<1>,1|N<2>,1|S<2>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]S)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	115.9149	0.869	8	115.9245	0.450	13	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]S)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{1|H<1>,1|N<2>,1|S<3>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]S)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	115.9065	0.274	2	115.9245	0.450	13	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]S)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{1|H<1>,1|N<2>,1|S<4>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]S)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	115.9620	0.128	3	115.9245	0.450	13	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{1|N<2>,2|N<3>}	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	117.4050	1.439	8	117.4050	2.069	8	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]N[6a]N[6])(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{1|H<1>,1|N<2>,1|N<3>}	C[6a](C[6a]N[6a]N[6])(N[6a]C[6a])(H){1|C<3>,1|H<1>,2|C<4>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	116.6100	0.000	1	116.6100	0.000	1	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{1|N<2>,2|O<2>}	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	117.5620	0.470	41	117.5620	0.221	41	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]N[6a]Pd)(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{1|Pd<4>,1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]Pd)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	114.7910	0.164	2	114.7910	0.027	2	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]P[6,6]C[6a])(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|P<3>}	C[6a](C[6a]P[6,6]C[6a])(N[6a]C[6a])(H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	117.1430	0.000	1	117.1430	0.000	1	116.7860	2.037	6593	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:I-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]I)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(I)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]I){2|Br<1>,1|C<3>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|I<1>,2|C<3>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(I){1|H<1>,2|C<3>}	119.3185	0.213	2	119.3185	0.045	2	119.0007	0.115	11	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:I-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]I)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(I)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]I){1|Br<1>,1|C<3>,1|I<1>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|I<1>,2|C<3>}	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(I){1|H<1>,2|C<3>}	119.0985	0.128	2	119.0985	0.016	2	119.0007	0.115	11	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:I-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]I)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(I)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]I){1|Br<1>,1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|I<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(I){1|C<3>,2|H<1>}	119.2260	0.000	1	119.2260	0.000	1	119.0007	0.115	11	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:I-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]I)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(I)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]I){1|Cl<1>,1|C<3>,1|I<1>}	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H){1|I<1>,2|C<3>}	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(I){1|H<1>,2|C<3>}	119.1280	0.182	2	119.1280	0.033	2	119.0007	0.115	11	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:I-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]I)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(I)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]I){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|I<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(I){1|C<3>,2|H<1>}	118.4570	0.000	1	118.4570	0.000	1	119.0007	0.115	11	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:I-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]I)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(I)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]I){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|I<1>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(I){1|C<3>,2|H<1>}	118.3470	0.000	1	118.3470	0.000	1	119.0007	0.115	11	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:I-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]I)	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(I)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]I){1|C<3>,2|I<1>}	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(H){1|I<1>,2|C<3>}	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(I){1|H<1>,2|C<3>}	118.9440	0.132	2	118.9440	0.017	2	119.0007	0.115	11	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|H<1>,1|N<3>,1|O<1>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|O<1>}	114.6290	0.000	1	114.6290	0.000	1	115.4523	0.825	3	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,1|N<3>,1|O<1>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|O<1>}	115.8640	0.796	2	115.8640	0.634	2	115.4523	0.825	3	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a]-3:N[6a]-2:O-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|H<1>,1|N<3>,1|O<1>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(O){1|C<3>,2|H<1>}	120.2840	0.000	1	120.2840	0.000	1	118.5473	5.314	3	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a]-3:N[6a]-2:O-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|N<3>,1|O<1>,1|O<2>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(O){1|C<3>,1|H<1>,1|O<2>}	115.9320	0.000	1	115.9320	0.000	1	118.5473	5.314	3	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a]-3:N[6a]-2:O-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,1|N<3>,1|O<1>}	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O){1|C<3>,2|H<1>}	119.4260	0.000	1	119.4260	0.000	1	118.5473	5.314	3	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:I-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]I)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(I)	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]I){1|Br<1>,1|C<3>,1|I<1>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(I){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(H){1|I<1>,2|C<3>}	119.0200	0.382	2	119.0200	0.146	2	118.6484	0.502	5	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:I-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]I)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(I)	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]I){1|Cl<1>,1|C<3>,1|I<1>}	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(I){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(H){1|I<1>,2|C<3>}	118.8580	0.385	2	118.8580	0.148	2	118.6484	0.502	5	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:I-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]I)	C[6a](C[6a]C[6a]N[5a])(N[6a]C[6a])(I)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]I){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N[5a])(N[6a]C[6a])(I){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|I<1>}	117.4860	0.000	1	117.4860	0.000	1	118.6484	0.502	5	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:I-1:	C[6a]-3:N[6a]-2:I-1:	N[6a](C[6a]C[6a]I)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(I)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(I)	N[6a](C[6a]C[6a]I)2{1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(I){1|C<3>,1|H<1>,1|I<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(I){1|C<3>,1|H<1>,1|I<1>}	117.1640	0.000	1	117.1640	0.000	1	116.6245	0.582	2	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:I-1:	C[6a]-3:N[6a]-2:I-1:	N[6a](C[6a]C[6a]I)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(I)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(I)	N[6a](C[6a]C[6a]I)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(I){1|C<3>,1|H<1>,1|I<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(I){1|C<3>,1|H<1>,1|I<1>}	116.0850	0.000	1	116.0850	0.000	1	116.6245	0.582	2	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	N[5a,6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]B[5,5a])(N[6a]C[6a])(H)	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H){1|B<4>,1|C<3>,1|H<1>}	C[6a](N[5a,6a]C[5a,6a]B[5,5a])(N[6a]C[6a])(H){1|H<1>,1|N<4>,2|C<3>,2|O<2>}	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	114.4450	0.000	1	114.4450	0.000	1	114.4450	0.000	1	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	N[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H){1|H<1>,2|C<3>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|O<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(O){1|N<3>,2|H<1>}	118.7210	0.000	1	118.7210	0.000	1	118.7210	0.000	1	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	N[6a]-3:N[6a]-2:O-1:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,2|H<1>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(O){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|O<1>,2|N<3>}	123.2250	0.276	2	123.2250	0.076	2	123.2250	0.076	2	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:	N[6a]-3:N[6a]-2:O-1:	N[6a]-3:N[6a]-2:O-1:	N[6a](C[6a]N[6a]O)2	C[6a](N[6a]C[6a]2)(N[6a]C[6a])(O)	C[6a](N[6a]C[6a]2)(N[6a]C[6a])(O)	N[6a](C[6a]N[6a]O)2{3|C<3>}	C[6a](N[6a]C[6a]2)(N[6a]C[6a])(O){1|Fe<8>,1|N<3>,1|O<1>,2|C<3>}	C[6a](N[6a]C[6a]2)(N[6a]C[6a])(O){1|Fe<8>,1|N<3>,1|O<1>,2|C<3>}	120.9920	0.000	1	120.9920	0.000	1	120.9920	0.000	1	116.7781	2.073	7208	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:2:	C[6a]-3:C[6a]-3:	C[5,6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:S-2:	N[6a](C[6a]C[5,6a]H)(C[6a]C[6a]S)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(H)	C[6a](C[6a]C[5,6a]H)(N[6a]C[6a])(SC[5a])	N[6a](C[6a]C[5,6a]H)(C[6a]C[6a]S){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(H){1|C<3>,1|S<2>,2|C<4>,2|H<1>}	C[6a](C[6a]C[5,6a]H)(N[6a]C[6a])(SC[5a]){1|C<3>,1|C<4>,1|H<1>}	117.6700	0.000	1	117.6700	0.000	1	117.6700	0.000	1	116.8826	2.293	476	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:2:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:O-2:	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(H)	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(OC)	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(H){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(OC){1|H<1>,2|C<3>}	118.2420	0.280	2	118.2420	0.078	2	118.2420	0.078	2	116.8826	2.293	476	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:2:	C[6a]-3:C[6a]-3:	C[6,6a]-3:N[6a]-2:Cl-1:	C[6a]-3:N[6a]-2:O-2:	N[6a](C[6a]C[6,6a]Cl)(C[6a]C[6a]O)	C[6a](C[6,6a]C[6,6a]C[6,6])(N[6a]C[6a])(Cl)	C[6a](C[6a]C[6,6a]H)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6,6a]Cl)(C[6a]C[6a]O){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(N[6a]C[6a])(Cl){1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6,6a]H)(N[6a]C[6a])(OC){1|Cl<1>,1|C<3>,1|C<4>}	116.7320	0.000	1	116.7320	0.000	1	116.7320	0.000	1	116.8826	2.293	476	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:S-2:	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]S)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H)	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(SC)	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]S){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H){1|H<1>,1|S<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(SC){1|H<1>,2|C<3>}	117.1680	0.000	1	117.1680	0.000	1	117.1680	0.000	1	116.8826	2.293	476	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:O-1:	N[6a]-3:N[6a]-2:N-2:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N)	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a])(O)	C[6a](N[6a]C[6a,6a]C)(N[6a]C[6a])(NC)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N){1|C<3>,1|C<4>,1|N<2>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a])(O){1|C<3>,1|N<3>,2|N<2>}	C[6a](N[6a]C[6a,6a]C)(N[6a]C[6a])(NC){1|C<3>,1|N<2>,1|O<1>}	121.8960	0.000	1	121.8960	0.000	1	121.8960	0.000	1	116.8826	2.293	476	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]Cl)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]Cl){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl){1|Cl<1>,1|C<3>,1|N<2>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{2|Cl<1>,2|H<1>,3|C<3>}	115.6990	0.255	2	115.6990	0.065	2	115.7682	0.064	4	116.8826	2.293	476	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]Cl)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(Cl)	C[6a](C[6a]N[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]Cl){1|C<3>,1|O<2>,2|N<2>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(Cl){1|Cl<1>,1|C<3>,1|N<2>}	C[6a](C[6a]N[6a]2)(N[6a]C[6a])2{2|Cl<1>,3|C<3>}	115.8375	0.327	2	115.8375	0.107	2	115.7682	0.064	4	116.8826	2.293	476	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C-3:N[6a]-2:N[6a]-2:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]C)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](CC[5a]C[5])(N[6a]C[6a])2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]C){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>}	C[6a](CC[5a]C[5])(N[6a]C[6a])2{1|C<3>,2|H<1>}	116.0079	0.358	8	116.0079	0.128	8	116.0079	0.128	8	116.8826	2.293	476	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[5a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	C[6a](C[5a]C[5a]S[5a])(N[6a]C[6a])2	N[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H){1|S<2>,3|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[5a]C[5a]S[5a])(N[6a]C[6a])2{3|C<3>,3|H<1>}	116.4190	0.346	2	116.4190	0.120	2	115.9722	0.205	6	116.8826	2.293	476	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[5a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[5a]N[5a]2)(N[6a]C[6a])2	N[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[5a]N[5a]2)(N[6a]C[6a])2{1|C<4>,2|H<1>,3|C<3>}	115.7488	0.319	4	115.7488	0.102	4	115.9722	0.205	6	116.8826	2.293	476	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:C-2:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H){1|C<2>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC){1|C<3>,2|H<1>}	116.8800	0.000	1	116.8800	0.000	1	116.7376	0.557	44	116.8826	2.293	476	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:C-2:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC){1|C<3>,2|H<1>}	118.0350	0.000	1	117.5930	0.391	2	116.7376	0.557	44	116.8826	2.293	476	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:C-2:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC){1|C<3>,2|H<1>}	117.1510	0.000	1	117.5930	0.391	2	116.7376	0.557	44	116.8826	2.293	476	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:C-2:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H){1|C<2>,1|C<3>,1|H<1>,2|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC){1|C<3>,2|H<1>}	117.5015	0.064	2	117.5015	0.004	2	116.7376	0.557	44	116.8826	2.293	476	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:C-2:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H){1|C<2>,1|H<1>,1|S<2>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN){1|C<3>,2|H<1>}	115.9450	0.000	2	115.9450	0.000	2	116.7376	0.557	44	116.8826	2.293	476	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:C-2:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(CN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(CN){1|C<3>,2|H<1>}	117.0070	0.000	1	117.0070	0.000	1	116.7376	0.557	44	116.8826	2.293	476	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:C-2:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CC)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CC){1|C<3>,2|H<1>}	117.2910	0.539	2	117.2910	0.290	2	116.7376	0.557	44	116.8826	2.293	476	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:C-2:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CN){1|C<3>,2|H<1>}	115.2420	0.000	1	115.2420	0.000	1	116.7376	0.557	44	116.8826	2.293	476	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:C-2:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC){1|C<3>,2|H<1>}	116.7368	0.634	30	116.7368	0.402	30	116.7376	0.557	44	116.8826	2.293	476	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:C-2:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CW)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CW){1|C<3>,2|H<1>}	114.7890	0.000	1	114.7890	0.000	1	116.7376	0.557	44	116.8826	2.293	476	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:C-2:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN){1|C<3>,2|H<1>}	116.2000	0.000	1	116.2000	0.000	1	116.7376	0.557	44	116.8826	2.293	476	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:C-2:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N[5a])(N[6a]C[6a])(H){1|C<2>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN){1|C<3>,2|H<1>}	117.5700	0.000	1	117.5700	0.000	1	116.7376	0.557	44	116.8826	2.293	476	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:N-2:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[5a])	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[5a]){1|C<3>,2|H<1>}	118.4975	0.060	2	118.4975	0.004	2	117.9371	2.274	76	116.8826	2.293	476	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:N-2:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC){1|C<3>,2|H<1>}	118.9583	0.225	3	118.9583	0.050	3	117.9371	2.274	76	116.8826	2.293	476	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:N-2:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NS)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NS){1|C<3>,2|H<1>}	118.3845	0.070	2	118.3845	0.005	2	117.9371	2.274	76	116.8826	2.293	476	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:N-2:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(NS)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|Br<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(NS){1|C<3>,2|H<1>}	118.3440	0.000	1	118.3440	0.000	1	117.9371	2.274	76	116.8826	2.293	476	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:N-2:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC){1|C<3>,2|H<1>}	116.9050	0.657	3	116.9050	0.432	3	117.9371	2.274	76	116.8826	2.293	476	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:N-2:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NN)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NN){1|C<3>,2|H<1>}	117.0980	0.000	1	117.0980	0.000	1	117.9371	2.274	76	116.8826	2.293	476	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:N-2:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a])	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]){1|C<3>,2|H<1>}	118.7580	0.000	1	118.7580	0.000	1	117.9371	2.274	76	116.8826	2.293	476	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:N-2:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NN)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|N<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NN){1|C<3>,1|C<4>,1|H<1>}	117.7820	0.000	1	117.6330	0.044	2	117.9371	2.274	76	116.8826	2.293	476	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:N-2:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NN)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NN){1|C<3>,2|H<1>}	117.4840	0.000	1	117.6330	0.044	2	117.9371	2.274	76	116.8826	2.293	476	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:N-2:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NS)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NS){1|C<3>,2|H<1>}	117.8370	0.000	1	117.8370	0.000	1	117.9371	2.274	76	116.8826	2.293	476	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:N-2:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(NH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(NH){1|C<3>,2|H<1>}	118.6795	0.490	2	118.6795	0.240	2	117.9371	2.274	76	116.8826	2.293	476	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:N-2:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC){1|C<3>,2|H<1>}	118.3870	0.000	1	118.3870	0.000	1	117.9371	2.274	76	116.8826	2.293	476	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:N-2:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a])	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]){1|C<3>,2|H<1>}	118.0040	0.000	1	118.0040	0.000	1	117.9371	2.274	76	116.8826	2.293	476	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:N-2:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NMo)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NMo){1|C<3>,2|H<1>}	115.7805	0.091	2	115.7805	0.008	2	117.9371	2.274	76	116.8826	2.293	476	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:N-2:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC){1|C<3>,2|H<1>}	117.6287	0.750	18	117.6287	0.562	18	117.9371	2.274	76	116.8826	2.293	476	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:N-2:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[5])	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[5]){1|C<3>,2|H<1>}	120.4590	2.683	3	120.4590	7.201	3	117.9371	2.274	76	116.8826	2.293	476	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:N-2:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6])	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]){1|C<3>,2|H<1>}	116.8360	0.447	5	116.8360	0.199	5	117.9371	2.274	76	116.8826	2.293	476	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:N-2:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a])	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]){1|C<3>,2|H<1>}	118.1948	1.882	5	118.1948	3.541	5	117.9371	2.274	76	116.8826	2.293	476	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:N-2:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NN)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NN){1|C<3>,2|H<1>}	116.7111	0.679	8	116.7111	0.460	8	117.9371	2.274	76	116.8826	2.293	476	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:N-2:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NP)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NP){1|C<3>,2|H<1>}	117.8960	1.093	2	117.8960	1.195	2	117.9371	2.274	76	116.8826	2.293	476	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:N-2:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NS)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NS){1|C<3>,2|H<1>}	120.0687	3.166	3	120.0687	10.021	3	117.9371	2.274	76	116.8826	2.293	476	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:N-2:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC){1|C<3>,2|H<1>}	118.6250	0.000	1	118.6250	0.000	1	117.9371	2.274	76	116.8826	2.293	476	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:N-2:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NH){1|C<3>,2|H<1>}	122.9230	0.000	1	122.9230	0.000	1	117.9371	2.274	76	116.8826	2.293	476	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:N-2:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NC[5])	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NC[5]){1|C<3>,2|H<1>}	117.6470	0.000	1	117.6470	0.000	1	117.9371	2.274	76	116.8826	2.293	476	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:N-2:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NC[6])	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NC[6]){1|C<3>,2|H<1>}	119.0760	0.000	1	119.0760	0.000	1	117.9371	2.274	76	116.8826	2.293	476	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:N-2:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NH){1|C<3>,2|H<1>}	119.9710	0.000	1	119.9710	0.000	1	117.9371	2.274	76	116.8826	2.293	476	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:N-2:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|N<3>,1|O<2>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NC){1|C<3>,2|H<1>}	118.3690	0.000	1	118.3690	0.000	1	117.9371	2.274	76	116.8826	2.293	476	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:N-2:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC){1|C<3>,2|H<1>}	117.3773	0.473	3	117.3773	0.223	3	117.9371	2.274	76	116.8826	2.293	476	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:N-2:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]N[6a]Br)(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|Br<1>,1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]Br)(N[6a]C[6a])(H){1|C<3>,1|N<2>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NH){1|C<3>,1|H<1>}	116.9730	0.000	1	116.9730	0.000	1	117.9371	2.274	76	116.8826	2.293	476	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H){4|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H){1|C<3>,1|C<4>,3|N<2>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{1|C<4>,3|C<3>,3|H<1>}	115.2315	0.030	2	116.0495	0.379	8	116.1593	0.438	73	116.8826	2.293	476	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H){4|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{3|C<3>,4|H<1>}	116.3222	0.417	6	116.0495	0.379	8	116.1593	0.438	73	116.8826	2.293	476	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H){1|Br<1>,3|C<3>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{1|C<3>,2|N<2>,4|H<1>}	116.4910	0.143	2	117.0300	0.159	8	116.1593	0.438	73	116.8826	2.293	476	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H){1|Br<1>,3|C<3>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{3|C<3>,4|H<1>}	117.2097	0.252	6	117.0300	0.159	8	116.1593	0.438	73	116.8826	2.293	476	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|N<2>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{1|C<4>,3|C<3>,3|H<1>}	116.0520	0.519	2	116.2081	0.155	30	116.1593	0.438	73	116.8826	2.293	476	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{1|B<6>,3|C<3>,3|H<1>}	115.3465	0.135	2	116.2081	0.155	30	116.1593	0.438	73	116.8826	2.293	476	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{1|C<3>,2|N<2>,4|H<1>}	115.9490	0.204	2	116.2081	0.155	30	116.1593	0.438	73	116.8826	2.293	476	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{1|O<2>,3|C<3>,3|H<1>}	116.6505	1.020	2	116.2081	0.155	30	116.1593	0.438	73	116.8826	2.293	476	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{3|C<3>,4|H<1>}	116.2705	0.216	20	116.2081	0.155	30	116.1593	0.438	73	116.8826	2.293	476	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{3|H<1>,4|C<3>}	116.4185	0.108	2	116.2081	0.155	30	116.1593	0.438	73	116.8826	2.293	476	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]2)(N[6a]C[6a])2{3|C<3>,3|H<1>}	115.3847	0.753	6	115.8277	0.584	25	116.1593	0.438	73	116.8826	2.293	476	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H){1|C<3>,1|H<1>,2|N<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]2)(N[6a]C[6a])2{1|C<3>,2|H<1>,2|N<2>}	115.5425	0.071	2	115.8277	0.584	25	116.1593	0.438	73	116.8826	2.293	476	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H){1|C<3>,1|H<1>,2|N<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]2)(N[6a]C[6a])2{2|H<1>,3|C<3>}	116.0176	0.759	17	115.8277	0.584	25	116.1593	0.438	73	116.8826	2.293	476	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]S)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H){1|S<2>,3|C<3>}	C[6a](C[6a]C[6a]S)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{1|C<3>,2|N<2>,4|H<1>}	116.5300	0.062	2	116.5300	0.004	2	116.1593	0.438	73	116.8826	2.293	476	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:O-2:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|C<3>,2|H<1>}	117.1520	0.000	1	117.1520	0.000	1	116.8105	0.611	82	116.8826	2.293	476	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:O-2:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|C<3>,2|H<1>}	116.6912	0.428	4	116.6079	0.104	7	116.8105	0.611	82	116.8826	2.293	476	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:O-2:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|C<3>,2|H<1>}	116.4967	0.071	3	116.6079	0.104	7	116.8105	0.611	82	116.8826	2.293	476	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:O-2:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(OC[6a])	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|Cl<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(OC[6a]){1|C<3>,2|H<1>}	117.2130	0.000	1	117.2130	0.000	1	116.8105	0.611	82	116.8826	2.293	476	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:O-2:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|C<3>,2|H<1>}	116.1695	0.401	2	116.1695	0.161	2	116.8105	0.611	82	116.8826	2.293	476	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:O-2:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC[6a])	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC[6a]){1|C<3>,2|H<1>}	116.5960	0.000	1	116.5960	0.000	1	116.8105	0.611	82	116.8826	2.293	476	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:O-2:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|C<3>,2|H<1>}	116.8210	0.000	1	116.8210	0.000	1	116.8105	0.611	82	116.8826	2.293	476	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:O-2:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(H){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|C<3>,2|H<1>}	117.2785	0.460	2	117.2785	0.212	2	116.8105	0.611	82	116.8826	2.293	476	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:O-2:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(OC[6a])	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(OC[6a]){1|C<3>,2|H<1>}	117.9890	0.000	1	117.9890	0.000	1	116.8105	0.611	82	116.8826	2.293	476	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:O-2:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(OC[6a])	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|Cl<1>,1|C<3>,1|F<1>}	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(OC[6a]){1|C<3>,2|H<1>}	118.2580	0.559	2	118.2580	0.312	2	116.8105	0.611	82	116.8826	2.293	476	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:O-2:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(OTi)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(OTi){2|H<1>,3|C<3>}	118.4250	0.000	1	118.4250	0.000	1	116.8105	0.611	82	116.8826	2.293	476	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:O-2:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]B)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|B<3>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]B)(N[6a]C[6a])(OC){1|C<3>,2|H<1>}	116.9570	0.059	2	116.9570	0.004	2	116.8105	0.611	82	116.8826	2.293	476	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:O-2:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC){1|C<3>,2|H<1>}	116.8280	0.447	2	117.0157	0.206	3	116.8105	0.611	82	116.8826	2.293	476	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:O-2:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC){1|C<3>,2|H<1>}	117.3910	0.000	1	117.0157	0.206	3	116.8105	0.611	82	116.8826	2.293	476	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:O-2:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC[6a])	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC[6a]){1|C<3>,2|H<1>}	116.6161	0.482	8	116.6161	0.232	8	116.8105	0.611	82	116.8826	2.293	476	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:O-2:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OAs)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OAs){1|C<3>,2|H<1>}	117.3560	0.315	2	117.3560	0.099	2	116.8105	0.611	82	116.8826	2.293	476	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:O-2:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OB)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OB){1|C<3>,2|H<1>}	116.8127	0.240	3	116.8127	0.058	3	116.8105	0.611	82	116.8826	2.293	476	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:O-2:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|C<3>,2|H<1>}	116.1298	0.523	6	116.1298	0.274	6	116.8105	0.611	82	116.8826	2.293	476	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:O-2:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC[6a])	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC[6a]){1|C<3>,2|H<1>}	116.3229	0.259	9	116.3229	0.067	9	116.8105	0.611	82	116.8826	2.293	476	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:O-2:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OP)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OP){1|C<3>,2|H<1>}	115.9250	0.000	1	115.9250	0.000	1	116.8105	0.611	82	116.8826	2.293	476	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:O-2:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OP[6])	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OP[6]){1|C<3>,2|H<1>}	115.9433	0.481	4	115.9433	0.231	4	116.8105	0.611	82	116.8826	2.293	476	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:O-2:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC){1|C<3>,2|H<1>}	117.2250	0.243	3	117.2250	0.059	3	116.8105	0.611	82	116.8826	2.293	476	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:O-2:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC[6a])	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC[6a]){1|C<3>,2|H<1>}	118.1057	0.528	3	118.1057	0.279	3	116.8105	0.611	82	116.8826	2.293	476	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:O-2:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(OC[6a])	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(OC[6a]){1|C<3>,2|H<1>}	116.9880	0.000	1	116.9880	0.000	1	116.8105	0.611	82	116.8826	2.293	476	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:O-2:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]Pt)(N[6a]C[6a])(OP)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|Pt<4>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]Pt)(N[6a]C[6a])(OP){1|C<3>,2|H<1>}	115.6380	0.000	1	115.6380	0.000	1	116.8105	0.611	82	116.8826	2.293	476	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:O-2:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|C<3>,2|H<1>}	117.2565	1.136	2	117.3257	0.660	3	116.8105	0.611	82	116.8826	2.293	476	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:O-2:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|H<1>,1|N<4>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|C<3>,2|H<1>}	117.4640	0.000	1	117.3257	0.660	3	116.8105	0.611	82	116.8826	2.293	476	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:O-2:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC[6a])	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC[6a]){1|C<3>,2|H<1>}	116.3495	0.652	4	116.3495	0.425	4	116.8105	0.611	82	116.8826	2.293	476	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:O-2:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,2|N<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC){1|C<3>,2|H<1>}	119.0440	0.359	2	119.0440	0.129	2	116.8105	0.611	82	116.8826	2.293	476	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:O-2:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]Si)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|Si<4>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Si)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|C<3>,2|H<1>}	116.4342	0.227	4	116.4342	0.052	4	116.8105	0.611	82	116.8826	2.293	476	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:O-2:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]N[6a]Cl)(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|Cl<1>,1|N<2>,1|N<3>}	C[6a](C[6a]N[6a]Cl)(N[6a]C[6a])(H){1|C<3>,1|O<2>}	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(OC){1|C<3>,1|H<1>}	116.9130	0.255	3	117.0885	0.167	4	116.8105	0.611	82	116.8826	2.293	476	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:O-2:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]N[6a]Cl)(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|Cl<1>,2|N<2>}	C[6a](C[6a]N[6a]Cl)(N[6a]C[6a])(H){1|C<3>,1|O<2>}	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(OC){1|C<3>,1|H<1>}	117.6150	0.000	1	117.0885	0.167	4	116.8105	0.611	82	116.8826	2.293	476	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:S-2:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SC){1|C<3>,2|H<1>}	117.6650	0.000	1	117.6650	0.000	1	117.7313	2.413	93	116.8826	2.293	476	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:S-2:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SC[6a])	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SC[6a]){1|C<3>,2|H<1>}	117.8760	0.000	1	117.8760	0.000	1	117.7313	2.413	93	116.8826	2.293	476	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:S-2:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SPt)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SPt){1|C<3>,2|H<1>}	118.5720	0.096	2	118.5720	0.009	2	117.7313	2.413	93	116.8826	2.293	476	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:S-2:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SC){1|C<3>,2|H<1>}	118.1384	0.640	10	118.1384	0.410	10	117.7313	2.413	93	116.8826	2.293	476	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:S-2:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SC[6a])	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SC[6a]){1|C<3>,2|H<1>}	117.1315	0.359	2	117.1315	0.129	2	117.7313	2.413	93	116.8826	2.293	476	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:S-2:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SS)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SS){1|C<3>,2|H<1>}	117.3590	0.659	2	117.3590	0.434	2	117.7313	2.413	93	116.8826	2.293	476	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:S-2:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SAg)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SAg){1|C<3>,2|H<1>}	117.4180	0.000	1	117.4180	0.000	1	117.7313	2.413	93	116.8826	2.293	476	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:S-2:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SAs)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SAs){1|C<3>,2|H<1>}	117.1352	0.516	4	117.1352	0.266	4	117.7313	2.413	93	116.8826	2.293	476	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:S-2:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SC){1|C<3>,2|H<1>}	116.9293	0.803	28	116.9293	0.645	28	117.7313	2.413	93	116.8826	2.293	476	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:S-2:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SC[5a])	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SC[5a]){1|C<3>,2|H<1>}	117.3470	0.000	1	117.3470	0.000	1	117.7313	2.413	93	116.8826	2.293	476	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:S-2:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SFe)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SFe){1|C<3>,2|H<1>}	123.0300	3.344	4	123.0300	11.180	4	117.7313	2.413	93	116.8826	2.293	476	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:S-2:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SMn)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SMn){1|C<3>,2|H<1>}	117.7080	0.000	1	117.7080	0.000	1	117.7313	2.413	93	116.8826	2.293	476	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:S-2:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SPd)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SPd){1|C<3>,2|H<1>}	118.0728	1.442	5	118.0728	2.079	5	117.7313	2.413	93	116.8826	2.293	476	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:S-2:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SPt)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SPt){1|C<3>,2|H<1>}	118.0406	0.827	13	118.0406	0.683	13	117.7313	2.413	93	116.8826	2.293	476	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:S-2:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SRe)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SRe){1|C<3>,2|H<1>}	116.5300	1.129	3	116.5300	1.274	3	117.7313	2.413	93	116.8826	2.293	476	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:S-2:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SS)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SS){1|C<3>,2|H<1>}	117.5000	0.250	3	117.5000	0.063	3	117.7313	2.413	93	116.8826	2.293	476	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:S-2:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SSn)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SSn){1|C<3>,2|H<1>}	117.8310	0.000	1	117.8310	0.000	1	117.7313	2.413	93	116.8826	2.293	476	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:S-2:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(SS)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(SS){1|C<3>,2|H<1>}	118.7200	0.436	2	118.7200	0.190	2	117.7313	2.413	93	116.8826	2.293	476	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:S-2:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(SC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(SC){1|C<3>,2|H<1>}	117.8710	0.000	1	117.8710	0.000	1	117.7313	2.413	93	116.8826	2.293	476	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:S-2:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]S)(N[6a]C[6a])(SPd)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[6a]S)(N[6a]C[6a])(SPd){1|C<3>,2|H<1>}	117.1950	0.000	1	117.1950	0.000	1	117.7313	2.413	93	116.8826	2.293	476	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:S-2:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SS)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SS){1|C<3>,2|H<1>}	117.3557	0.393	7	117.3557	0.155	7	117.7313	2.413	93	116.8826	2.293	476	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:Se-2:	N[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SeC)	N[6a](C[6a]C[6a]Se)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|Se<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SeC){1|C<3>,2|H<1>}	116.8140	0.000	1	116.8140	0.000	1	118.5212	4.535	17	116.8826	2.293	476	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:Se-2:	N[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SeC[6a])	N[6a](C[6a]C[6a]Se)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|Se<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SeC[6a]){1|C<3>,2|H<1>}	117.2795	0.291	2	117.2795	0.084	2	118.5212	4.535	17	116.8826	2.293	476	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:Se-2:	N[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SeSe)	N[6a](C[6a]C[6a]Se)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|Se<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SeSe){1|C<3>,2|H<1>}	117.8047	0.512	3	117.8047	0.262	3	118.5212	4.535	17	116.8826	2.293	476	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:Se-2:	N[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(SeC[6a])	N[6a](C[6a]C[6a]Se)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|Se<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(SeC[6a]){1|C<3>,2|H<1>}	120.9165	3.556	2	120.9165	12.645	2	118.5212	4.535	17	116.8826	2.293	476	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:Se-2:	N[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SeC[6a])	N[6a](C[6a]C[6a]Se)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|Se<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SeC[6a]){1|C<3>,2|H<1>}	119.1790	1.316	4	119.1790	1.733	4	118.5212	4.535	17	116.8826	2.293	476	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:Se-2:	N[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SeCu)	N[6a](C[6a]C[6a]Se)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|Se<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SeCu){1|C<3>,2|H<1>}	123.1180	0.000	1	123.1180	0.000	1	118.5212	4.535	17	116.8826	2.293	476	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:Se-2:	N[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SeSe)	N[6a](C[6a]C[6a]Se)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|Se<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SeSe){1|C<3>,2|H<1>}	116.5473	0.491	3	116.5473	0.241	3	118.5212	4.535	17	116.8826	2.293	476	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:Se-2:	N[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SeSn)	N[6a](C[6a]C[6a]Se)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|Se<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SeSn){1|C<3>,2|H<1>}	118.7650	0.000	1	118.7650	0.000	1	118.5212	4.535	17	116.8826	2.293	476	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	N-3:N[6a]-2:N[6a]-2:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](NC[6a]C[5])(N[6a]C[6a])2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,1|N<2>,1|N<3>}	C[6a](NC[6a]C[5])(N[6a]C[6a])2{1|C<3>,2|H<1>}	114.7665	0.101	2	114.7665	0.010	2	114.7665	0.010	2	116.8826	2.293	476	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	N[5]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	C[6a](N[5]C[5]N[5])(N[6a]C[6a])2	N[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|C<4>,1|N<2>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|H<1>,1|N<2>,1|N<3>}	C[6a](N[5]C[5]N[5])(N[6a]C[6a])2{1|C<4>,3|C<3>,3|H<1>}	115.5085	0.070	2	115.3890	0.246	6	115.3890	0.246	6	116.8826	2.293	476	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	N[5]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	C[6a](N[5]C[5]N[5])(N[6a]C[6a])2	N[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H){1|Br<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|H<1>,1|N<2>,1|N<3>}	C[6a](N[5]C[5]N[5])(N[6a]C[6a])2{1|O<1>,2|H<1>,3|C<3>}	115.3293	0.627	4	115.3890	0.246	6	115.3890	0.246	6	116.8826	2.293	476	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	N[5a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	C[6a](N[5a]C[5a]N[5a])(N[6a]C[6a])2	N[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H){1|Br<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|H<1>,1|N<2>,1|N<3>}	C[6a](N[5a]C[5a]N[5a])(N[6a]C[6a])2{3|C<3>,3|H<1>}	114.8768	0.750	4	114.8768	0.562	4	115.0442	0.211	54	116.8826	2.293	476	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	N[5a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](N[5a]C[5a,6a]2)(N[6a]C[6a])2	N[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,1|N<2>,1|N<3>}	C[6a](N[5a]C[5a,6a]2)(N[6a]C[6a])2{2|H<1>,5|C<3>}	115.1162	0.451	12	115.1162	0.203	12	115.0442	0.211	54	116.8826	2.293	476	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	N[5a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](N[5a]C[5a,6a]C[5a,6])(N[6a]C[6a])2	N[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,1|N<2>,1|N<3>}	C[6a](N[5a]C[5a,6a]C[5a,6])(N[6a]C[6a])2{2|H<1>,5|C<3>}	114.9715	0.022	2	114.9715	0.000	2	115.0442	0.211	54	116.8826	2.293	476	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	N[5a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](N[5a]C[5a,6a]C[5a])(N[6a]C[6a])2	N[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,1|N<2>,1|N<3>}	C[6a](N[5a]C[5a,6a]C[5a])(N[6a]C[6a])2{2|H<1>,5|C<3>}	115.0193	0.363	26	115.0076	0.124	30	115.0442	0.211	54	116.8826	2.293	476	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	N[5a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](N[5a]C[5a,6a]C[5a])(N[6a]C[6a])2	N[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,1|N<2>,1|N<3>}	C[6a](N[5a]C[5a,6a]C[5a])(N[6a]C[6a])2{3|H<1>,4|C<3>}	114.9313	0.302	4	115.0076	0.124	30	115.0442	0.211	54	116.8826	2.293	476	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	N[5a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](N[5a]C[5a]2)(N[6a]C[6a])2	N[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,1|N<2>,1|N<3>}	C[6a](N[5a]C[5a]2)(N[6a]C[6a])2{1|C<3>,2|N<2>,4|H<1>}	114.3750	0.369	2	114.7790	0.311	4	115.0442	0.211	54	116.8826	2.293	476	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	N[5a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](N[5a]C[5a]2)(N[6a]C[6a])2	N[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,1|N<2>,1|N<3>}	C[6a](N[5a]C[5a]2)(N[6a]C[6a])2{1|C<4>,3|C<3>,3|H<1>}	115.1830	0.380	2	114.7790	0.311	4	115.0442	0.211	54	116.8826	2.293	476	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	N[5a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(N[6a]C[6a])(H)	C[6a](N[5a]C[5a,6a]2)(N[6a]C[6a])2	N[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H){1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(N[6a]C[6a])(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](N[5a]C[5a,6a]2)(N[6a]C[6a])2{2|H<1>,5|C<3>}	116.0990	0.134	2	116.0990	0.018	2	115.0442	0.211	54	116.8826	2.293	476	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	N[6,6]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a]N[6,6]N[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](N[6,6]C[6,6]2)(N[6a]C[6a])2	N[6a](C[6a]N[6,6]N[6a])(C[6a]C[6a]H){1|C<3>,1|H<1>,2|C<4>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,1|N<2>,1|N<3>}	C[6a](N[6,6]C[6,6]2)(N[6a]C[6a])2{2|O<2>,3|C<3>,4|H<1>}	114.7005	0.074	2	114.7005	0.006	2	114.7005	0.006	2	116.8826	2.293	476	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:2:	C[6a]-3:C[6a]-3:	N[6,6a]-3:N[6a]-2:O-1:	C[6a]-3:N[6a]-2:O-2:	N[6a](C[6a]N[6,6a]O)(C[6a]C[6a]O)	C[6a](N[6,6a]C[6,6a]C[6])(N[6a]C[6a])(O)	C[6a](C[6a]C[6,6a]C)(N[6a]C[6a])(OC)	N[6a](C[6a]N[6,6a]O)(C[6a]C[6a]O){1|C<3>,2|C<4>}	C[6a](N[6,6a]C[6,6a]C[6])(N[6a]C[6a])(O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6,6a]C)(N[6a]C[6a])(OC){1|C<4>,1|N<3>,1|O<1>}	118.8170	0.000	1	118.8170	0.000	1	118.8170	0.000	1	116.8826	2.293	476	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:2:	C[6a]-3:C[6a]-3:	N[6a]-3:N[6a]-2:O-1:	C[6a]-3:N[6a]-2:N-2:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|H<1>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(O){1|C<3>,1|C<4>,1|N<2>,1|O<2>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NH){1|H<1>,1|N<3>,1|O<1>}	118.7790	0.000	1	118.7790	0.000	1	118.7790	0.000	1	116.8826	2.293	476	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:2:	C[6a]-3:C[6a]-3:	N[6a]-3:N[6a]-2:O-1:	N[6a]-3:N[6a]-2:O-2:	N[6a](C[6a]N[6a]O)2	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(O)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(OC)	N[6a](C[6a]N[6a]O)2{1|C<3>,2|H<1>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(O){1|N<3>,1|O<1>,1|O<2>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(OC){1|N<3>,2|O<1>}	116.3170	0.000	1	116.3170	0.000	1	116.3170	0.000	1	116.8826	2.293	476	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:3:	C[6a]-3:C[6a]-3:	C[5,6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:C-3:	N[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(H)	C[6a](C[6a]C[5,6a]H)(N[6a]C[6a])(COO)	N[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(H){1|O<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[5,6a]H)(N[6a]C[6a])(COO){1|C<3>,1|C<4>,1|H<1>}	117.0900	0.000	1	117.5235	0.376	2	117.5235	0.376	2	117.7835	1.902	886	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:3:	C[6a]-3:C[6a]-3:	C[5,6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:C-3:	N[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(H)	C[6a](C[6a]C[5,6a]H)(N[6a]C[6a])(COO)	N[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(H){1|O<1>,4|C<3>}	C[6a](C[6a]C[5,6a]H)(N[6a]C[6a])(COO){1|H<1>,2|C<3>}	117.9570	0.000	1	117.5235	0.376	2	117.5235	0.376	2	117.7835	1.902	886	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:3:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:C-3:	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(H)	C[6a](C[6a]C[5a,6a]C)(N[6a]C[6a])(COO)	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(H){1|H<1>,4|C<3>}	C[6a](C[6a]C[5a,6a]C)(N[6a]C[6a])(COO){1|H<1>,2|C<3>}	118.3337	0.450	3	118.3337	0.203	3	118.3602	0.115	5	117.7835	1.902	886	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:3:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:C-3:	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(H)	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(CNO)	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(H){1|H<1>,4|C<3>}	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(CNO){1|H<1>,2|C<3>}	118.5570	0.000	1	118.5570	0.000	1	118.3602	0.115	5	117.7835	1.902	886	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:3:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:C-3:	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(H)	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(COO)	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(H){1|H<1>,4|C<3>}	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(COO){1|H<1>,2|C<3>}	118.2430	0.000	1	118.2430	0.000	1	118.3602	0.115	5	117.7835	1.902	886	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:3:	C[6a]-3:C[6a]-3:	C[6,6,6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:C-3:	N[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]C)	C[6a](C[6,6,6a]C[6,6,6a]C[4,6,6])(N[6a]C[6a])(H)	C[6a](C[6a]C[6,6,6a]H)(N[6a]C[6a])(CHO)	N[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]C){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6,6a]C[6,6,6a]C[4,6,6])(N[6a]C[6a])(H){1|H<1>,2|C<3>,3|C<4>}	C[6a](C[6a]C[6,6,6a]H)(N[6a]C[6a])(CHO){1|C<3>,1|C<4>,1|H<1>}	116.3580	0.000	1	116.3580	0.000	1	116.3580	0.000	1	117.7835	1.902	886	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:C-3:	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H)	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(CNO)	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(CNO){1|H<1>,2|C<3>}	116.7680	0.489	3	116.7680	0.239	3	116.7680	0.239	3	117.7835	1.902	886	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H)	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(NCH){1|H<1>,2|C<3>}	116.6410	0.000	1	116.6410	0.000	1	116.9975	0.254	2	117.7835	1.902	886	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H)	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(NHS)	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(NHS){1|H<1>,2|C<3>}	117.3540	0.000	1	117.3540	0.000	1	116.9975	0.254	2	117.7835	1.902	886	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:F-1:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]F)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(F)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]F)(C[6a]C[6a]N){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(F){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<3>,1|F<1>,1|H<1>}	116.7430	0.000	2	116.7430	0.000	2	116.7430	0.000	2	117.7835	1.902	886	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:As-3:	N[6a](C[6a]C[6a]As)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(AsC[6a]2)	N[6a](C[6a]C[6a]As)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|As<3>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(AsC[6a]2){1|C<3>,2|H<1>}	116.7940	0.208	3	116.7940	0.043	3	116.7940	0.043	3	117.7835	1.902	886	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:C-3:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C[4])(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]C[4])(N[6a]C[6a])(H){2|C<3>,2|O<2>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(COO){1|C<3>,1|H<1>}	116.9700	0.000	1	116.9700	0.000	1	116.9700	0.000	1	117.7835	1.902	886	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:I-3:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]I)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(IOO)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]I){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|I<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(IOO){1|C<3>,2|H<1>}	116.6060	0.000	1	116.6060	0.000	1	116.1407	0.174	4	117.7835	1.902	886	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:I-3:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]I)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(IOO)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]I){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|I<3>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(IOO){1|C<3>,2|H<1>}	115.9857	0.341	3	115.9857	0.116	3	116.1407	0.174	4	117.7835	1.902	886	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|N<3>,2|C<3>}	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H){1|H<1>,2|C<3>,2|N<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH){1|C<3>,2|H<1>}	119.7950	0.000	1	119.7950	0.000	1	117.6608	1.447	787	117.7835	1.902	886	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|O<2>,2|C<3>}	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NHH){1|C<3>,2|H<1>}	118.9790	0.221	2	118.9790	0.049	2	117.6608	1.447	787	117.7835	1.902	886	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){3|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(NHH){2|H<1>,3|C<3>}	119.5307	0.687	3	119.5307	0.472	3	117.6608	1.447	787	117.7835	1.902	886	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC){1|C<3>,2|H<1>}	117.5090	0.000	1	117.5090	0.000	1	117.6608	1.447	787	117.7835	1.902	886	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	117.8610	0.000	1	117.8610	0.000	1	117.6608	1.447	787	117.7835	1.902	886	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCO)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCO){1|C<3>,2|H<1>}	116.8470	0.402	3	116.8470	0.162	3	117.6608	1.447	787	117.7835	1.902	886	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHO)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHO){1|C<3>,2|H<1>}	117.4400	0.000	1	117.4400	0.000	1	117.6608	1.447	787	117.7835	1.902	886	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(NC[6a]H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){2|Br<1>,1|C<3>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(NC[6a]H){1|C<3>,2|H<1>}	118.7840	0.000	1	118.7840	0.000	1	117.6608	1.447	787	117.7835	1.902	886	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){2|Br<1>,1|C<3>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(NHH){1|C<3>,2|H<1>}	121.0520	0.265	3	121.0520	0.070	3	117.6608	1.447	787	117.7835	1.902	886	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	118.2960	0.470	8	118.2960	0.221	8	117.6608	1.447	787	117.7835	1.902	886	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<3>,2|H<1>}	119.7687	0.717	4	119.7687	0.513	4	117.6608	1.447	787	117.7835	1.902	886	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHN)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHN){1|C<3>,2|H<1>}	116.8690	0.000	1	116.8690	0.000	1	117.6608	1.447	787	117.7835	1.902	886	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NFeC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|Br<1>,1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NFeC){1|C<3>,2|H<1>}	117.8230	0.000	1	117.8230	0.000	1	117.6608	1.447	787	117.7835	1.902	886	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NMnC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|Br<1>,1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NMnC){1|C<3>,2|H<1>}	116.6430	0.000	1	116.6430	0.000	1	117.6608	1.447	787	117.7835	1.902	886	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|Br<1>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NHH){1|C<3>,2|H<1>}	118.7900	0.000	1	118.7900	0.000	1	117.6608	1.447	787	117.7835	1.902	886	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){3|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H){1|C<3>,2|H<1>}	118.3510	0.000	1	118.3510	0.000	1	117.6608	1.447	787	117.7835	1.902	886	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<2>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH){1|C<3>,2|H<1>}	117.5575	0.167	4	117.5575	0.028	4	117.6608	1.447	787	117.7835	1.902	886	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(NC[6a]H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|Cl<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(NC[6a]H){1|C<3>,2|H<1>}	118.2010	0.000	1	118.2010	0.000	1	117.6608	1.447	787	117.7835	1.902	886	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	116.9950	0.000	1	117.1455	0.206	10	117.6608	1.447	787	117.7835	1.902	886	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	117.1622	0.478	9	117.1455	0.206	10	117.6608	1.447	787	117.7835	1.902	886	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<3>,2|H<1>}	117.9690	0.000	1	117.4820	0.214	3	117.6608	1.447	787	117.7835	1.902	886	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<3>,2|H<1>}	117.2385	0.269	2	117.4820	0.214	3	117.6608	1.447	787	117.7835	1.902	886	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	117.6175	0.162	2	117.6175	0.026	2	117.6608	1.447	787	117.7835	1.902	886	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH){1|C<3>,2|H<1>}	117.9000	0.000	1	117.9000	0.000	1	117.6608	1.447	787	117.7835	1.902	886	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC){1|C<3>,2|H<1>}	117.3530	0.000	1	117.3530	0.000	1	117.6608	1.447	787	117.7835	1.902	886	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	118.2260	0.000	1	118.2260	0.000	1	117.6608	1.447	787	117.7835	1.902	886	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	118.8080	0.000	1	118.8080	0.000	1	117.6608	1.447	787	117.7835	1.902	886	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	117.9546	0.493	9	117.9546	0.243	9	117.6608	1.447	787	117.7835	1.902	886	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<3>,2|H<1>}	119.3910	0.877	5	119.3910	0.769	5	117.6608	1.447	787	117.7835	1.902	886	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHS)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHS){1|C<3>,2|H<1>}	118.0958	0.553	6	118.0958	0.306	6	117.6608	1.447	787	117.7835	1.902	886	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|Cl<1>,1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH){1|C<3>,2|H<1>}	118.7050	0.000	1	118.7050	0.000	1	117.6608	1.447	787	117.7835	1.902	886	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	117.4080	0.000	1	117.4080	0.000	1	117.6608	1.447	787	117.7835	1.902	886	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(NCN)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(NCN){2|H<1>,3|C<3>}	117.6040	0.000	1	117.6040	0.000	1	117.6608	1.447	787	117.7835	1.902	886	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCC){1|C<3>,2|H<1>}	116.9645	0.019	2	116.9645	0.000	2	117.6608	1.447	787	117.7835	1.902	886	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	116.7287	0.540	3	117.6314	1.698	5	117.6608	1.447	787	117.7835	1.902	886	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	118.9855	0.309	2	117.6314	1.698	5	117.6608	1.447	787	117.7835	1.902	886	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCN)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCN){1|C<3>,2|H<1>}	117.3040	0.000	1	117.3040	0.000	1	117.6608	1.447	787	117.7835	1.902	886	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C){1|C<3>,2|H<1>}	118.9581	0.428	26	118.9581	0.183	26	117.6608	1.447	787	117.7835	1.902	886	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H){1|C<3>,2|H<1>}	118.3547	0.596	59	118.3547	0.356	59	117.6608	1.447	787	117.7835	1.902	886	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH){1|C<3>,2|H<1>}	117.5050	0.000	1	117.5050	0.000	1	117.6608	1.447	787	117.7835	1.902	886	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NLiTi)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NLiTi){1|C<3>,2|H<1>}	118.1570	0.000	1	118.1570	0.000	1	117.6608	1.447	787	117.7835	1.902	886	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NOO)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NOO){1|C<3>,2|H<1>}	116.1880	0.000	1	116.1880	0.000	1	117.6608	1.447	787	117.7835	1.902	886	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(NHH){1|C<3>,2|H<1>}	118.5200	0.000	1	118.5200	0.000	1	117.6608	1.447	787	117.7835	1.902	886	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(NHN)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(NHN){1|C<3>,2|H<1>}	118.4880	0.000	1	118.4880	0.000	1	117.6608	1.447	787	117.7835	1.902	886	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC){1|C<3>,2|H<1>}	117.4256	0.610	19	117.4256	0.372	19	117.6608	1.447	787	117.7835	1.902	886	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	117.4116	1.005	218	117.4116	1.009	218	117.6608	1.447	787	117.7835	1.902	886	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCN)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCN){1|C<3>,2|H<1>}	116.6422	0.245	4	116.6422	0.060	4	117.6608	1.447	787	117.7835	1.902	886	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCP)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCP){1|C<3>,2|H<1>}	117.5440	0.759	2	117.5440	0.577	2	117.6608	1.447	787	117.7835	1.902	886	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[5]H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[5]H){1|C<3>,2|H<1>}	116.7820	0.000	1	116.7820	0.000	1	117.6608	1.447	787	117.7835	1.902	886	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[5a]C)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[5a]C){1|C<3>,2|H<1>}	116.9595	0.104	2	116.9595	0.011	2	117.6608	1.447	787	117.7835	1.902	886	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[5a]H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[5a]H){1|C<3>,2|H<1>}	116.4780	0.000	1	116.4780	0.000	1	117.6608	1.447	787	117.7835	1.902	886	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]2)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]2){1|C<3>,2|H<1>}	117.3860	0.501	2	117.3860	0.251	2	117.6608	1.447	787	117.7835	1.902	886	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]C)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]C){1|C<3>,2|H<1>}	118.9300	0.709	2	118.9300	0.502	2	117.6608	1.447	787	117.7835	1.902	886	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]H){1|C<3>,2|H<1>}	117.6455	1.472	27	117.6455	2.168	27	117.6608	1.447	787	117.7835	1.902	886	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]Os)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]Os){1|C<3>,2|H<1>}	116.4720	2.677	2	116.4720	7.167	2	117.6608	1.447	787	117.7835	1.902	886	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]Rh)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]Rh){1|C<3>,2|H<1>}	117.7005	0.124	2	117.7005	0.015	2	117.6608	1.447	787	117.7835	1.902	886	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]Ru)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]Ru){1|C<3>,2|H<1>}	116.9650	0.544	3	116.9650	0.295	3	117.6608	1.447	787	117.7835	1.902	886	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]2)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]2){1|C<3>,2|H<1>}	116.7855	0.595	32	116.7855	0.355	32	117.6608	1.447	787	117.7835	1.902	886	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C){1|C<3>,2|H<1>}	117.0772	0.726	30	117.0772	0.527	30	117.6608	1.447	787	117.7835	1.902	886	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H){1|C<3>,2|H<1>}	117.5567	1.043	72	117.5567	1.087	72	117.6608	1.447	787	117.7835	1.902	886	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]P)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]P){1|C<3>,2|H<1>}	117.0005	0.622	2	117.0005	0.386	2	117.6608	1.447	787	117.7835	1.902	886	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]Zn)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]Zn){1|C<3>,2|H<1>}	124.7130	0.000	1	124.7130	0.000	1	117.6608	1.447	787	117.7835	1.902	886	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCoC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCoC){1|C<3>,2|H<1>}	116.9554	0.953	11	116.9554	0.908	11	117.6608	1.447	787	117.7835	1.902	886	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCrC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCrC){1|C<3>,2|H<1>}	117.1619	0.655	7	117.1619	0.429	7	117.6608	1.447	787	117.7835	1.902	886	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCuC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCuC){1|C<3>,2|H<1>}	116.9995	0.339	2	116.9995	0.115	2	117.6608	1.447	787	117.7835	1.902	886	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCuN)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCuN){1|C<3>,2|H<1>}	117.7100	0.000	1	117.7100	0.000	1	117.6608	1.447	787	117.7835	1.902	886	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<3>,2|H<1>}	121.0440	2.926	10	121.0440	8.560	10	117.6608	1.447	787	117.7835	1.902	886	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHN)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHN){1|C<3>,2|H<1>}	116.9837	0.550	32	116.9837	0.302	32	117.6608	1.447	787	117.7835	1.902	886	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHO)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHO){1|C<3>,2|H<1>}	116.9010	0.000	1	116.9010	0.000	1	117.6608	1.447	787	117.7835	1.902	886	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHP)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHP){1|C<3>,2|H<1>}	117.3134	0.572	24	117.3134	0.328	24	117.6608	1.447	787	117.7835	1.902	886	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHS)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHS){1|C<3>,2|H<1>}	117.6593	0.321	3	117.6593	0.103	3	117.6608	1.447	787	117.7835	1.902	886	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NLiH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NLiH){1|C<3>,2|H<1>}	119.0150	1.219	3	119.0150	1.486	3	117.6608	1.447	787	117.7835	1.902	886	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NMnN)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NMnN){1|C<3>,2|H<1>}	117.3785	1.307	2	117.3785	1.709	2	117.6608	1.447	787	117.7835	1.902	886	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NNO)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NNO){1|C<3>,2|H<1>}	115.0705	0.441	2	115.0705	0.194	2	117.6608	1.447	787	117.7835	1.902	886	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NN[5]C)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NN[5]C){1|C<3>,2|H<1>}	116.4320	0.000	1	116.4320	0.000	1	117.6608	1.447	787	117.7835	1.902	886	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NN[6a]C)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NN[6a]C){1|C<3>,2|H<1>}	116.6342	0.609	4	116.6342	0.371	4	117.6608	1.447	787	117.7835	1.902	886	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NP[6]H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NP[6]H){1|C<3>,2|H<1>}	116.0270	0.421	2	116.0270	0.178	2	117.6608	1.447	787	117.7835	1.902	886	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NPdC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NPdC){1|C<3>,2|H<1>}	118.4860	0.000	1	118.4860	0.000	1	117.6608	1.447	787	117.7835	1.902	886	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NRuC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NRuC){1|C<3>,2|H<1>}	115.6085	1.445	2	115.6085	2.087	2	117.6608	1.447	787	117.7835	1.902	886	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCC){1|C<3>,2|H<1>}	118.3800	0.000	1	118.3800	0.000	1	117.6608	1.447	787	117.7835	1.902	886	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	119.1375	0.504	2	119.1375	0.254	2	117.6608	1.447	787	117.7835	1.902	886	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]C)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]C){1|C<3>,2|H<1>}	118.1120	0.000	1	118.1120	0.000	1	117.6608	1.447	787	117.7835	1.902	886	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]H){1|C<3>,2|H<1>}	117.7660	0.028	2	118.6502	0.311	12	117.6608	1.447	787	117.7835	1.902	886	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]H){1|C<3>,2|H<1>}	118.8270	0.414	10	118.6502	0.311	12	117.6608	1.447	787	117.7835	1.902	886	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCuC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCuC){1|C<3>,2|H<1>}	117.5495	2.033	2	117.5495	4.133	2	117.6608	1.447	787	117.7835	1.902	886	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH){1|C<3>,2|H<1>}	118.1190	0.000	1	118.9590	0.236	6	117.6608	1.447	787	117.7835	1.902	886	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH){1|C<3>,2|H<1>}	119.1270	0.289	5	118.9590	0.236	6	117.6608	1.447	787	117.7835	1.902	886	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NNiC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NNiC){1|C<3>,2|H<1>}	114.7310	0.000	1	114.7310	0.000	1	117.6608	1.447	787	117.7835	1.902	886	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NZnC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NZnC){1|C<3>,2|H<1>}	116.7160	0.000	1	116.7160	0.000	1	117.6608	1.447	787	117.7835	1.902	886	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	117.5807	0.651	17	117.5807	0.423	17	117.6608	1.447	787	117.7835	1.902	886	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NC[6a]C)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NC[6a]C){1|C<3>,2|H<1>}	118.2310	0.000	1	118.2310	0.000	1	117.6608	1.447	787	117.7835	1.902	886	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NHH){1|C<3>,2|H<1>}	118.1505	0.839	2	118.1505	0.704	2	117.6608	1.447	787	117.7835	1.902	886	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NMoC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NMoC){1|C<3>,2|H<1>}	115.7937	0.724	6	115.7937	0.525	6	117.6608	1.447	787	117.7835	1.902	886	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|H<1>,1|I<1>}	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	115.9050	0.000	1	115.9050	0.000	1	117.6608	1.447	787	117.7835	1.902	886	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHS)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|H<1>,1|I<1>}	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHS){1|C<3>,2|H<1>}	120.2710	0.000	1	120.2710	0.000	1	117.6608	1.447	787	117.7835	1.902	886	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<2>,1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	118.5400	0.000	1	118.1397	0.176	3	117.6608	1.447	787	117.7835	1.902	886	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	117.9395	0.333	2	118.1397	0.176	3	117.6608	1.447	787	117.7835	1.902	886	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC){1|C<3>,2|H<1>}	117.8710	0.270	4	117.8710	0.073	4	117.6608	1.447	787	117.7835	1.902	886	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	117.7506	0.376	5	117.7506	0.141	5	117.6608	1.447	787	117.7835	1.902	886	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<3>,2|H<1>}	118.4543	0.988	6	118.4543	0.976	6	117.6608	1.447	787	117.7835	1.902	886	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHN)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHN){1|C<3>,2|H<1>}	117.6280	0.000	1	117.6280	0.000	1	117.6608	1.447	787	117.7835	1.902	886	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|N<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	119.1473	0.571	3	119.1473	0.326	3	117.6608	1.447	787	117.7835	1.902	886	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]S)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6a]S)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H){1|C<3>,2|H<1>}	118.2115	0.040	2	118.2115	0.002	2	117.6608	1.447	787	117.7835	1.902	886	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]S)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|H<1>,1|S<1>}	C[6a](C[6a]C[6a]S)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<3>,2|H<1>}	118.0840	0.000	1	118.0840	0.000	1	117.6608	1.447	787	117.7835	1.902	886	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:P-3:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]P)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PC[6]2)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]P){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|P<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PC[6]2){1|C<3>,2|H<1>}	116.9390	0.000	1	116.9390	0.000	1	117.3966	0.304	7	117.7835	1.902	886	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:P-3:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]P)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PN[5a]2)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]P){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|P<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PN[5a]2){1|C<3>,2|H<1>}	117.2685	0.332	2	117.2685	0.110	2	117.3966	0.304	7	117.7835	1.902	886	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:P-3:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]P)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PPP)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]P){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|P<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PPP){1|C<3>,2|H<1>}	117.5750	0.669	4	117.5750	0.448	4	117.3966	0.304	7	117.7835	1.902	886	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:S-3:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SC[6a]O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|S<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SC[6a]O){1|C<3>,2|H<1>}	115.4070	0.000	1	115.4070	0.000	1	116.2696	0.763	14	117.7835	1.902	886	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:S-3:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SIr2)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|S<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SIr2){1|C<3>,2|H<1>}	116.7235	1.051	2	116.7235	1.106	2	116.2696	0.763	14	117.7835	1.902	886	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:S-3:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SIrC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|S<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SIrC){1|C<3>,2|H<1>}	115.6380	0.000	1	115.6380	0.000	1	116.2696	0.763	14	117.7835	1.902	886	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:S-3:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SMnMo)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|S<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SMnMo){1|C<3>,2|H<1>}	117.0470	0.000	1	117.0470	0.000	1	116.2696	0.763	14	117.7835	1.902	886	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:S-3:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SPd2)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|S<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SPd2){1|C<3>,2|H<1>}	116.3700	0.000	1	116.3700	0.000	1	116.2696	0.763	14	117.7835	1.902	886	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:S-3:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SPdC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|S<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SPdC){1|C<3>,2|H<1>}	115.7943	1.024	4	115.7943	1.049	4	116.2696	0.763	14	117.7835	1.902	886	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:S-3:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SRhC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|S<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SRhC){1|C<3>,2|H<1>}	115.8040	0.000	1	115.8040	0.000	1	116.2696	0.763	14	117.7835	1.902	886	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:S-3:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SRuC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|S<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SRuC){1|C<3>,2|H<1>}	116.1780	0.000	1	116.1780	0.000	1	116.2696	0.763	14	117.7835	1.902	886	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:S-3:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(SRh2)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|S<3>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(SRh2){1|C<3>,2|H<1>}	117.3535	0.144	2	117.3535	0.021	2	116.2696	0.763	14	117.7835	1.902	886	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:3:	C[6a]-3:C[6a]-3:	N[6,6a]-3:N[6a]-2:O-1:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]N[6,6a]O)(C[6a]C[6a]N)	C[6a](N[6,6a]C[6,6a]C[5,6])(N[6a]C[6a])(O)	C[6a](C[6a]C[6,6a]H)(N[6a]C[6a])(NHH)	N[6a](C[6a]N[6,6a]O)(C[6a]C[6a]N){1|C<3>,1|C<4>,1|H<1>}	C[6a](N[6,6a]C[6,6a]C[5,6])(N[6a]C[6a])(O){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[6a](C[6a]C[6,6a]H)(N[6a]C[6a])(NHH){1|C<4>,1|N<3>,1|O<1>}	119.7060	0.000	1	119.7060	0.000	1	119.7060	0.000	1	117.7835	1.902	886	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:3:	C[6a]-3:C[6a]-3:	N[6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)	C[6a](N[6a]C[5a,6a]C[5])(N[6a]C[6a])(H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H){1|C<4>,2|C<3>}	C[6a](N[6a]C[5a,6a]C[5])(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<2>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH){1|C<2>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	118.5930	0.000	1	118.5930	0.000	1	119.0590	0.227	3	117.7835	1.902	886	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:3:	C[6a]-3:C[6a]-3:	N[6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)	C[6a](N[6a]C[5a,6a]C[5])(N[6a]C[6a])(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H){1|C<3>,1|C<4>,1|N<2>}	C[6a](N[6a]C[5a,6a]C[5])(N[6a]C[6a])(H){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])(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	119.2920	0.359	2	119.2920	0.129	2	119.0590	0.227	3	117.7835	1.902	886	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:3:	C[6a]-3:C[6a]-3:	N[6a]-3:N[6a]-2:H-1:	C[6a,6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]H)	C[6a](N[6a]C[6a,6a]C[5])(N[6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]H){1|C<4>,2|C<3>}	C[6a](N[6a]C[6a,6a]C[5])(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<2>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NHH){1|H<1>,1|N<2>,1|O<1>,2|N<3>}	117.3630	0.700	3	117.3630	0.490	3	117.3630	0.490	3	117.7835	1.902	886	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:3:	C[6a]-3:C[6a]-3:	N[6a]-3:N[6a]-2:O-1:	C[5,6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[5,6a]N)(C[6a]N[6a]O)	C[6a](N[6a]C[5,6a]C[5])(N[6a]C[6a])(O)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[5,6a]N)(C[6a]N[6a]O){1|C<3>,2|C<4>}	C[6a](N[6a]C[5,6a]C[5])(N[6a]C[6a])(O){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(NHH){1|N<3>,1|O<1>,2|C<4>,2|H<1>}	120.6650	0.000	1	120.6650	0.000	1	120.6650	0.000	1	117.7835	1.902	886	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:3:	C[6a]-3:C[6a]-3:	N[6a]-3:N[6a]-2:O-1:	C[5a,6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]O)	C[6a](N[6a]C[5a,6a]C[5])(N[6a]C[6a])(O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|N<2>}	C[6a](N[6a]C[5a,6a]C[5])(N[6a]C[6a])(O){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<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>}	122.3890	0.000	1	122.3890	0.000	1	122.3890	0.000	1	117.7835	1.902	886	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:3:	C[6a]-3:C[6a]-3:	N[6a]-3:N[6a]-2:O-1:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(O)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCC)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O){1|C<3>,2|C<4>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(O){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCC){1|H<1>,1|N<3>,1|O<1>}	121.0530	0.000	1	121.0530	0.000	1	120.4929	1.878	46	117.7835	1.902	886	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:3:	C[6a]-3:C[6a]-3:	N[6a]-3:N[6a]-2:O-1:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(O)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O){1|C<3>,2|C<4>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(O){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH){1|H<1>,1|N<3>,1|O<1>}	120.9670	0.000	1	120.9670	0.000	1	120.4929	1.878	46	117.7835	1.902	886	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:3:	C[6a]-3:C[6a]-3:	N[6a]-3:N[6a]-2:O-1:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(O)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O){1|C<2>,1|C<3>,1|C<4>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(O){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH){1|H<1>,1|N<3>,1|O<1>}	120.2538	0.284	6	120.2538	0.081	6	120.4929	1.878	46	117.7835	1.902	886	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:3:	C[6a]-3:C[6a]-3:	N[6a]-3:N[6a]-2:O-1:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(O)	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|F<1>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(O){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(NHH){1|H<1>,1|N<3>,1|O<1>}	120.8715	1.079	4	120.8715	1.163	4	120.4929	1.878	46	117.7835	1.902	886	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:3:	C[6a]-3:C[6a]-3:	N[6a]-3:N[6a]-2:O-1:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|H<1>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(O){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|H<1>,1|N<3>,1|O<1>}	120.1263	0.344	3	120.1263	0.118	3	120.4929	1.878	46	117.7835	1.902	886	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:3:	C[6a]-3:C[6a]-3:	N[6a]-3:N[6a]-2:O-1:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[3]H)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|H<1>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(O){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[3]H){1|H<1>,1|N<3>,1|O<1>}	118.8300	0.000	1	118.8300	0.000	1	120.4929	1.878	46	117.7835	1.902	886	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:3:	C[6a]-3:C[6a]-3:	N[6a]-3:N[6a]-2:O-1:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|H<1>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(O){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|H<1>,1|N<3>,1|O<1>}	120.4796	1.352	18	120.3780	1.470	23	120.4929	1.878	46	117.7835	1.902	886	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:3:	C[6a]-3:C[6a]-3:	N[6a]-3:N[6a]-2:O-1:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|H<1>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(O){1|C<3>,1|C<4>,1|N<3>,1|S<2>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|H<1>,1|N<3>,1|O<1>}	120.3470	0.000	1	120.3780	1.470	23	120.4929	1.878	46	117.7835	1.902	886	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:3:	C[6a]-3:C[6a]-3:	N[6a]-3:N[6a]-2:O-1:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|H<1>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(O){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<4>,1|N<3>,1|O<1>}	119.4900	0.000	1	120.3780	1.470	23	120.4929	1.878	46	117.7835	1.902	886	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:3:	C[6a]-3:C[6a]-3:	N[6a]-3:N[6a]-2:O-1:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|H<1>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(O){1|C<3>,1|H<1>,1|N<3>,1|S<2>,2|C<4>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|H<1>,1|N<3>,1|O<1>}	119.9880	0.000	1	120.3780	1.470	23	120.4929	1.878	46	117.7835	1.902	886	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:3:	C[6a]-3:C[6a]-3:	N[6a]-3:N[6a]-2:O-1:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O){1|H<1>,2|C<3>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(O){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|H<1>,1|N<3>,1|O<1>}	120.1190	0.174	2	120.3780	1.470	23	120.4929	1.878	46	117.7835	1.902	886	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:3:	C[6a]-3:C[6a]-3:	N[6a]-3:N[6a]-2:O-1:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHS)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|H<1>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(O){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHS){1|H<1>,1|N<3>,1|O<1>}	126.8730	0.000	1	126.8730	0.000	1	120.4929	1.878	46	117.7835	1.902	886	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:3:	C[6a]-3:C[6a]-3:	N[6a]-3:N[6a]-2:O-1:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)	C[6a](N[6a]C[6a]C[6])(N[6a]C[6a])(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|H<1>}	C[6a](N[6a]C[6a]C[6])(N[6a]C[6a])(O){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|H<1>,1|N<3>,1|O<1>}	119.5640	0.000	1	119.5640	0.000	1	120.4929	1.878	46	117.7835	1.902	886	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:3:	C[6a]-3:C[6a]-3:	N[6a]-3:N[6a]-2:O-1:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)	C[6a](N[6a]C[6a]C[6])(N[6a]C[6a])(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NDD)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|H<1>}	C[6a](N[6a]C[6a]C[6])(N[6a]C[6a])(O){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NDD){1|H<1>,1|N<3>,1|O<1>}	120.1480	0.000	1	120.1480	0.000	1	120.4929	1.878	46	117.7835	1.902	886	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:3:	C[6a]-3:C[6a]-3:	N[6a]-3:N[6a]-2:O-1:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)	C[6a](N[6a]C[6a]C[6])(N[6a]C[6a])(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|H<1>}	C[6a](N[6a]C[6a]C[6])(N[6a]C[6a])(O){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|H<1>,1|N<3>,1|O<1>}	120.2890	0.641	4	120.2890	0.411	4	120.4929	1.878	46	117.7835	1.902	886	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:4:	C[6a]-3:C[6a]-3:	C[5,6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(H)	C[6a](C[6a]C[5,6a]O)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[5,6a]O)(N[6a]C[6a])(CH3){1|H<1>,2|C<3>}	120.9210	0.000	1	120.9210	0.000	1	120.9210	0.000	1	117.4628	1.110	838	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H)	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a])(CC[6a]2H)	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C){3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a])(CC[6a]2H){1|H<1>,4|C<3>}	118.4080	0.000	1	118.4080	0.000	1	118.1190	0.167	2	117.4628	1.110	838	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H)	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(CH3){1|H<1>,2|C<3>}	117.8300	0.000	1	117.8300	0.000	1	118.1190	0.167	2	117.4628	1.110	838	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(Cl)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(Cl){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|Cl<1>,1|C<3>,1|H<1>}	117.7690	0.202	2	117.7690	0.041	2	117.7690	0.041	2	117.4628	1.110	838	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<2>}	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a])(H){1|C<4>,1|S<2>,2|C<3>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CH3){1|C<3>,1|H<1>}	117.5580	0.000	2	117.5580	0.000	2	117.5384	1.017	759	117.4628	1.110	838	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|H<1>}	116.4775	0.071	2	116.4775	0.005	2	117.5384	1.017	759	117.4628	1.110	838	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,2|H<1>}	118.0706	1.138	9	118.0706	1.294	9	117.5384	1.017	759	117.4628	1.110	838	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHOO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHOO){1|C<3>,2|H<1>}	117.0880	0.000	1	117.0880	0.000	1	117.5384	1.017	759	117.4628	1.110	838	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO){1|C<3>,2|H<1>}	118.3720	0.000	1	118.3720	0.000	1	117.5384	1.017	759	117.4628	1.110	838	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC3){1|C<3>,2|H<1>}	118.0350	0.000	1	118.0350	0.000	1	117.5384	1.017	759	117.4628	1.110	838	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH){1|C<3>,2|H<1>}	118.4160	0.036	3	118.4160	0.001	3	117.5384	1.017	759	117.4628	1.110	838	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]HH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]HH){1|C<3>,2|H<1>}	116.4940	0.000	1	116.4940	0.000	1	117.5384	1.017	759	117.4628	1.110	838	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]CH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]CH){1|C<3>,2|H<1>}	117.6960	0.000	1	117.6960	0.000	1	117.5384	1.017	759	117.4628	1.110	838	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,2|H<1>}	118.8640	0.000	1	118.5154	0.074	5	117.5384	1.017	759	117.4628	1.110	838	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,2|H<1>}	118.4282	0.218	4	118.5154	0.074	5	117.5384	1.017	759	117.4628	1.110	838	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHS)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHS){1|C<3>,2|H<1>}	116.7430	0.011	2	116.7430	0.000	2	117.5384	1.017	759	117.4628	1.110	838	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN3){1|C<3>,2|H<1>}	117.0400	0.000	1	117.0400	0.000	1	117.5384	1.017	759	117.4628	1.110	838	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,2|H<1>}	118.6080	0.000	1	117.9135	3.534	10	117.5384	1.017	759	117.4628	1.110	838	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,2|H<1>}	117.8363	1.977	9	117.9135	3.534	10	117.5384	1.017	759	117.4628	1.110	838	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(CHHO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(CHHO){2|H<1>,3|C<3>}	118.0520	0.047	2	118.0520	0.002	2	117.5384	1.017	759	117.4628	1.110	838	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCHH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCHH){1|C<3>,2|H<1>}	120.6980	0.000	1	120.6980	0.000	1	117.5384	1.017	759	117.4628	1.110	838	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCHO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCHO){1|C<3>,2|H<1>}	118.5140	0.000	1	118.5140	0.000	1	117.5384	1.017	759	117.4628	1.110	838	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CF3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CF3){1|C<3>,2|H<1>}	117.7795	0.292	2	117.7795	0.085	2	117.5384	1.017	759	117.4628	1.110	838	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3){1|C<3>,2|H<1>}	119.2494	0.875	5	119.2494	0.766	5	117.5384	1.017	759	117.4628	1.110	838	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CS3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CS3){1|C<3>,2|H<1>}	119.3830	0.000	1	119.3830	0.000	1	117.5384	1.017	759	117.4628	1.110	838	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC3){1|C<3>,2|H<1>}	117.7722	0.781	11	117.7722	0.610	11	117.5384	1.017	759	117.4628	1.110	838	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCCH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCCH){1|C<3>,2|H<1>}	117.0920	0.550	5	117.0920	0.302	5	117.5384	1.017	759	117.4628	1.110	838	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCCN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCCN){1|C<3>,2|H<1>}	118.1094	0.518	7	118.1094	0.268	7	117.5384	1.017	759	117.4628	1.110	838	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCCO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCCO){1|C<3>,2|H<1>}	117.7315	0.454	19	117.7315	0.206	19	117.5384	1.017	759	117.4628	1.110	838	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH){1|C<3>,2|H<1>}	117.7118	0.762	111	117.7118	0.580	111	117.5384	1.017	759	117.4628	1.110	838	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHN){1|C<3>,2|H<1>}	117.4693	0.497	13	117.4693	0.247	13	117.5384	1.017	759	117.4628	1.110	838	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHO){1|C<3>,2|H<1>}	117.1797	0.530	6	117.1797	0.281	6	117.5384	1.017	759	117.4628	1.110	838	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHP)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHP){1|C<3>,2|H<1>}	116.2215	0.770	2	116.2215	0.593	2	117.5384	1.017	759	117.4628	1.110	838	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]2O)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]2O){1|C<3>,2|H<1>}	116.8800	0.153	2	116.8800	0.023	2	117.5384	1.017	759	117.4628	1.110	838	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]CH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]CH){1|C<3>,2|H<1>}	117.4312	0.192	6	117.4312	0.037	6	117.5384	1.017	759	117.4628	1.110	838	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]HH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]HH){1|C<3>,2|H<1>}	117.0554	0.803	10	117.0554	0.645	10	117.5384	1.017	759	117.4628	1.110	838	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]HO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]HO){1|C<3>,2|H<1>}	117.5690	0.538	3	117.5690	0.290	3	117.5384	1.017	759	117.4628	1.110	838	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]2C)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]2C){1|C<3>,2|H<1>}	117.7339	0.552	9	117.7339	0.304	9	117.5384	1.017	759	117.4628	1.110	838	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]2O)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]2O){1|C<3>,2|H<1>}	117.7296	0.684	11	117.7296	0.469	11	117.5384	1.017	759	117.4628	1.110	838	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]CH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]CH){1|C<3>,2|H<1>}	117.4905	0.261	2	117.4905	0.068	2	117.5384	1.017	759	117.4628	1.110	838	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]HH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]HH){1|C<3>,2|H<1>}	117.7530	0.276	2	117.7530	0.076	2	117.5384	1.017	759	117.4628	1.110	838	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]3){1|C<3>,2|H<1>}	117.7600	0.000	1	117.7600	0.000	1	117.5384	1.017	759	117.4628	1.110	838	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CFeCH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CFeCH){1|C<3>,2|H<1>}	117.0373	0.493	6	117.0373	0.243	6	117.5384	1.017	759	117.4628	1.110	838	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,2|H<1>}	118.6026	2.200	11	118.6026	4.841	11	117.5384	1.017	759	117.4628	1.110	838	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,2|H<1>}	117.4490	0.977	321	117.4490	0.955	321	117.5384	1.017	759	117.4628	1.110	838	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO){1|C<3>,2|H<1>}	117.4241	0.986	27	117.4241	0.972	27	117.5384	1.017	759	117.4628	1.110	838	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHP)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHP){1|C<3>,2|H<1>}	117.8675	1.952	15	117.8675	3.811	15	117.5384	1.017	759	117.4628	1.110	838	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHS)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHS){1|C<3>,2|H<1>}	117.0825	0.270	11	117.0825	0.073	11	117.5384	1.017	759	117.4628	1.110	838	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHNN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHNN){1|C<3>,2|H<1>}	117.4681	0.655	8	117.4681	0.429	8	117.5384	1.017	759	117.4628	1.110	838	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHPP)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHPP){1|C<3>,2|H<1>}	116.7900	0.000	1	116.7900	0.000	1	117.5384	1.017	759	117.4628	1.110	838	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CLiNN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CLiNN){1|C<3>,2|H<1>}	116.9950	0.000	1	116.9950	0.000	1	117.5384	1.017	759	117.4628	1.110	838	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5]HH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5]HH){1|C<3>,2|H<1>}	116.9429	0.714	49	116.9429	0.510	49	117.5384	1.017	759	117.4628	1.110	838	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[6]CH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[6]CH){1|C<3>,2|H<1>}	116.5033	0.799	3	116.5033	0.638	3	117.5384	1.017	759	117.4628	1.110	838	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[6]HH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[6]HH){1|C<3>,2|H<1>}	117.0215	0.364	10	117.0215	0.132	10	117.5384	1.017	759	117.4628	1.110	838	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CO[4]CH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CO[4]CH){1|C<3>,2|H<1>}	118.7030	0.000	1	118.7030	0.000	1	117.5384	1.017	759	117.4628	1.110	838	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CP[6]HH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CP[6]HH){1|C<3>,2|H<1>}	120.0085	4.863	2	120.0085	23.647	2	117.5384	1.017	759	117.4628	1.110	838	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CPtHN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CPtHN){1|C<3>,2|H<1>}	118.2260	0.000	1	118.2260	0.000	1	117.5384	1.017	759	117.4628	1.110	838	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CRuCC)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CRuCC){1|C<3>,2|H<1>}	117.3415	0.276	2	117.3415	0.076	2	117.5384	1.017	759	117.4628	1.110	838	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CRuHN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CRuHN){1|C<3>,2|H<1>}	117.4930	0.000	1	117.4930	0.000	1	117.5384	1.017	759	117.4628	1.110	838	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CS3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CS3){1|C<3>,2|H<1>}	117.4230	0.000	1	117.4230	0.000	1	117.5384	1.017	759	117.4628	1.110	838	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CSi2H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CSi2H){1|C<3>,2|H<1>}	117.6760	0.000	1	117.6760	0.000	1	117.5384	1.017	759	117.4628	1.110	838	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CSiHH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CSiHH){1|C<3>,2|H<1>}	117.3255	0.049	2	117.3255	0.002	2	117.5384	1.017	759	117.4628	1.110	838	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(CFHH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(CFHH){1|C<3>,2|H<1>}	118.5460	0.000	1	118.5460	0.000	1	117.5384	1.017	759	117.4628	1.110	838	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(CH3){1|C<3>,2|H<1>}	118.4760	0.018	2	118.4760	0.000	2	117.5384	1.017	759	117.4628	1.110	838	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CHHN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CHHN){1|C<3>,2|H<1>}	118.3335	1.190	2	118.3335	1.416	2	117.5384	1.017	759	117.4628	1.110	838	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CHHO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CHHO){1|C<3>,2|H<1>}	119.0890	0.000	1	119.0890	0.000	1	117.5384	1.017	759	117.4628	1.110	838	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]S)(N[6a]C[6a])(CCHO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]S)(N[6a]C[6a])(CCHO){1|C<3>,2|H<1>}	118.3260	0.000	1	118.3260	0.000	1	117.5384	1.017	759	117.4628	1.110	838	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCCH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCCH){1|C<3>,2|H<1>}	118.0063	0.196	3	118.0063	0.039	3	117.5384	1.017	759	117.4628	1.110	838	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,2|H<1>}	118.2633	1.978	3	118.2633	3.913	3	117.5384	1.017	759	117.4628	1.110	838	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(H){1|C<4>,1|N<2>,2|C<3>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|H<1>}	116.4820	0.000	1	116.4820	0.000	1	117.5384	1.017	759	117.4628	1.110	838	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:N-4:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NH3)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<4>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NH3){1|C<3>,2|H<1>}	123.5820	0.000	1	123.5820	0.000	1	118.3328	8.977	5	117.4628	1.110	838	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:N-4:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]HH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<4>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]HH){1|C<3>,2|H<1>}	117.5490	0.574	2	117.5490	0.330	2	118.3328	8.977	5	117.4628	1.110	838	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:N-4:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCuCC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<4>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCuCC){1|C<3>,2|H<1>}	116.4920	0.143	2	116.4920	0.020	2	118.3328	8.977	5	117.4628	1.110	838	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:P-4:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]P)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PC[6]2C)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]P){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|P<4>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PC[6]2C){1|C<3>,2|H<1>}	116.8940	0.000	1	116.8940	0.000	1	116.8590	0.401	26	117.4628	1.110	838	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:P-4:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]P)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PC[6]2Cu)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]P){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|P<4>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PC[6]2Cu){1|C<3>,2|H<1>}	116.7330	0.368	4	116.7330	0.135	4	116.8590	0.401	26	117.4628	1.110	838	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:P-4:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]P)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PC[6]2O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]P){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|P<4>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PC[6]2O){1|C<3>,2|H<1>}	116.2917	0.151	3	116.2917	0.023	3	116.8590	0.401	26	117.4628	1.110	838	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:P-4:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]P)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PC[6]IrC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]P){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|P<4>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PC[6]IrC){1|C<3>,2|H<1>}	116.9090	0.000	1	116.9090	0.000	1	116.8590	0.401	26	117.4628	1.110	838	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:P-4:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]P)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PC[6a]2O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]P){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|P<4>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PC[6a]2O){1|C<3>,2|H<1>}	116.6840	0.382	3	116.6840	0.146	3	116.8590	0.401	26	117.4628	1.110	838	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:P-4:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]P)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PC[6a]2W)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]P){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|P<4>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PC[6a]2W){1|C<3>,2|H<1>}	117.5553	0.354	6	117.5553	0.125	6	116.8590	0.401	26	117.4628	1.110	838	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:P-4:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]P)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PC[6a]CO)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]P){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|P<4>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PC[6a]CO){1|C<3>,2|H<1>}	116.4230	0.126	4	116.4230	0.016	4	116.8590	0.401	26	117.4628	1.110	838	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:P-4:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]P)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PNiCC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]P){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|P<4>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PNiCC){1|C<3>,2|H<1>}	116.9123	1.126	4	116.9123	1.267	4	116.8590	0.401	26	117.4628	1.110	838	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:S-4:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SNOO)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SNOO){1|C<3>,2|H<1>}	117.1540	0.709	2	117.1540	0.502	2	116.2748	0.456	41	117.4628	1.110	838	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:S-4:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SN[3]OO)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SN[3]OO){1|C<3>,2|H<1>}	116.5160	0.513	2	116.5160	0.264	2	116.2748	0.456	41	117.4628	1.110	838	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:S-4:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SNOO)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SNOO){1|C<3>,2|H<1>}	116.8723	0.597	10	116.8723	0.357	10	116.2748	0.456	41	117.4628	1.110	838	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:S-4:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SCOO)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SCOO){1|C<3>,2|H<1>}	115.9257	0.315	7	115.9257	0.099	7	116.2748	0.456	41	117.4628	1.110	838	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:S-4:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SC[5]OO)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SC[5]OO){1|C<3>,2|H<1>}	115.7190	0.123	2	115.7190	0.015	2	116.2748	0.456	41	117.4628	1.110	838	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:S-4:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SNOO)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SNOO){1|C<3>,2|H<1>}	116.2965	0.824	6	116.2965	0.678	6	116.2748	0.456	41	117.4628	1.110	838	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:S-4:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SN[5]OO)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SN[5]OO){1|C<3>,2|H<1>}	115.8293	0.480	6	115.8293	0.231	6	116.2748	0.456	41	117.4628	1.110	838	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:S-4:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SN[6]OO)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SN[6]OO){1|C<3>,2|H<1>}	116.0200	0.000	1	116.0200	0.000	1	116.2748	0.456	41	117.4628	1.110	838	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:S-4:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SO3)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SO3){1|C<3>,2|H<1>}	115.9018	0.340	5	115.9018	0.116	5	116.2748	0.456	41	117.4628	1.110	838	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:Se-4:	N[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SeC[6a]OO)	N[6a](C[6a]C[6a]Se)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|Se<4>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SeC[6a]OO){1|C<3>,2|H<1>}	115.3140	0.000	1	115.3140	0.000	1	115.3140	0.000	1	117.4628	1.110	838	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:4:	C[6a]-3:C[6a]-3:	N[5a,6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:S-4:	N[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]S)	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(H)	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(SC[6a]OO)	N[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]S){1|H<1>,2|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(H){1|Cl<1>,1|S<4>,3|C<3>}	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(SC[6a]OO){1|C<3>,1|H<1>,1|N<3>}	116.8550	0.000	1	116.8550	0.000	1	116.8550	0.000	1	117.4628	1.110	838	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:6:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:S-6:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SCF4)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|S<6>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SCF4){1|C<3>,2|H<1>}	117.7820	0.000	1	117.7820	0.000	1	117.2022	0.176	4	117.2022	0.176	4	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:6:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:S-6:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SC[5a]F4)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|S<6>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SC[5a]F4){1|C<3>,2|H<1>}	117.0005	0.282	2	117.0005	0.080	2	117.2022	0.176	4	117.2022	0.176	4	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:2:6:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:S-6:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SF5)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|C<3>,1|H<1>,1|I<2>}	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|S<6>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SF5){1|C<3>,2|H<1>}	117.0260	0.000	1	117.0260	0.000	1	117.2022	0.176	4	117.2022	0.176	4	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	3:3:2:	C[6a]-3:C[6a]-3:	C[6,6,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]2)	C[6a](C[6,6,6a]C[6,6,6a]C[4,6,6])(N[6a]C[6a])(H)	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]2){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[4,6,6])(N[6a]C[6a])(H){1|H<1>,2|C<3>,3|C<4>}	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]2)(N[6a]C[6a]){1|C<4>,3|C<3>,3|H<1>}	118.0860	0.000	1	118.0860	0.000	1	118.0860	0.000	1	118.0860	0.000	1	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:1:	4:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[5]-4:N[6a]-2:N[6a]-2:	N[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[5]C[5]2Fe)(N[6a]C[6a])2	N[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H){1|Fe<10>,1|C<3>,1|H<1>,2|C<4>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<4>,1|H<1>,1|N<2>}	C[6a](C[5]C[5]2Fe)(N[6a]C[6a])2{1|C<3>,2|C<4>,4|H<1>}	115.7570	0.453	4	115.7570	0.205	4	115.7570	0.205	4	115.7570	0.205	4	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	2:2:1:	C[6a]-3:C[6a]-3:	C[5,6a]-3:N[6a]-2:S-2:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[5,6a]S)(C[6a]N[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(SAg)	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5,6a]S)(C[6a]N[6a]H){1|C<3>,1|N<3>}	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(SAg){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(H){1|C<3>,1|N<3>,1|S<2>}	123.5090	0.000	1	123.5090	0.000	1	120.6005	16.919	2	115.0465	3.141	93	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	2:2:1:	C[6a]-3:C[6a]-3:	C[5,6a]-3:N[6a]-2:S-2:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[5,6a]S)(C[6a]N[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(SCu)	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5,6a]S)(C[6a]N[6a]H){1|C<3>,1|N<3>}	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(SCu){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(H){1|C<3>,1|N<3>,1|S<2>}	117.6920	0.000	1	117.6920	0.000	1	120.6005	16.919	2	115.0465	3.141	93	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	2:2:1:	C[6a]-3:C[6a]-3:	C[5]-3:N[6a]-2:N[6a]-2:	N[6a]-2:N[6a]-2:Cl-1:	N[6a](C[6a]N[6a]C[5])(C[6a]N[6a]Cl)	C[6a](C[5]C[5]S[5])(N[6a]C[6a])2	C[6a](N[6a]C[6a])2(Cl)	N[6a](C[6a]N[6a]C[5])(C[6a]N[6a]Cl){1|S<2>,2|C<3>}	C[6a](C[5]C[5]S[5])(N[6a]C[6a])2{2|Cl<1>,1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[6a](N[6a]C[6a])2(Cl){1|Cl<1>,1|C<3>,1|N<2>}	113.3895	0.401	6	113.3895	0.161	6	113.3895	0.161	6	115.0465	3.141	93	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	2:2:1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:C-2:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[5a,6a]C)(C[6a]N[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CC)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]C)(C[6a]N[6a]H){1|C<3>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CC){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|C<2>,1|C<3>,1|N<2>}	117.8050	0.000	1	117.8050	0.000	1	117.3575	0.401	2	115.0465	3.141	93	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	2:2:1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:C-2:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[5a,6a]C)(C[6a]N[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CN)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]C)(C[6a]N[6a]H){1|C<3>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CN){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|C<2>,1|C<3>,1|N<2>}	116.9100	0.000	1	116.9100	0.000	1	117.3575	0.401	2	115.0465	3.141	93	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	2:2:1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:N-2:	N[6a]-2:N[6a]-2:Cl-1:	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]Cl)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NC)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(Cl)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]Cl){1|C<3>,1|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>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(Cl){1|C<3>,1|N<2>,1|N<3>}	117.2720	0.000	1	117.2720	0.000	1	117.2720	0.000	1	115.0465	3.141	93	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	2:2:1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:O-2:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a])(OS)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H){2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a])(OS){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|S<2>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|C<3>,1|O<2>,1|S<2>}	115.9500	0.000	1	115.9500	0.000	1	116.5010	0.788	8	115.0465	3.141	93	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	2:2:1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:O-2:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(OC)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H){2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(OC){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|C<3>,1|N<3>,1|O<2>}	116.7140	0.000	1	116.1658	0.498	4	116.5010	0.788	8	115.0465	3.141	93	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	2:2:1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:O-2:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(OC)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H){2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(OC){1|N<3>,2|H<1>,2|N<2>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|C<3>,1|N<2>,1|O<2>}	115.5560	0.017	2	116.1658	0.498	4	116.5010	0.788	8	115.0465	3.141	93	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	2:2:1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:O-2:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(OC)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H){2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(OC){1|N<3>,2|H<1>,2|N<2>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|C<3>,1|N<3>,1|O<2>}	116.8370	0.000	1	116.1658	0.498	4	116.5010	0.788	8	115.0465	3.141	93	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	2:2:1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:O-2:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(OC)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H){1|C<3>,1|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>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|C<3>,1|N<3>,1|O<2>}	117.7010	0.000	1	117.1317	1.039	3	116.5010	0.788	8	115.0465	3.141	93	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	2:2:1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:O-2:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(OC)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H){1|C<3>,1|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>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|O<2>,2|C<3>}	115.9550	0.000	1	117.1317	1.039	3	116.5010	0.788	8	115.0465	3.141	93	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	2:2:1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:O-2:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(OC)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H){1|C<3>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(OC){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|C<3>,1|N<2>,1|O<2>}	117.7390	0.000	1	117.1317	1.039	3	116.5010	0.788	8	115.0465	3.141	93	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	2:2:1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:O-2:	N[6a]-2:N[6a]-2:I-1:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]I)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(OC)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(I)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]I){1|C<3>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(OC){1|C<3>,1|C<4>,1|I<1>,2|N<2>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(I){1|C<3>,1|N<2>,1|O<2>}	116.6710	0.000	1	116.6710	0.000	1	116.6710	0.000	1	115.0465	3.141	93	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	2:2:1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:S-2:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[5a,6a]S)(C[6a]N[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(SC)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]S)(C[6a]N[6a]H){2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(SC){1|N<3>,2|H<1>,2|N<2>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|C<3>,1|N<3>,1|S<2>}	117.3790	0.083	2	117.3790	0.007	2	117.3806	0.154	10	115.0465	3.141	93	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	2:2:1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:S-2:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[5a,6a]S)(C[6a]N[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(SC)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]S)(C[6a]N[6a]H){1|C<3>,1|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>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|C<3>,1|N<3>,1|S<2>}	117.2751	0.353	7	117.2751	0.125	7	117.3806	0.154	10	115.0465	3.141	93	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	2:2:1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:S-2:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[5a,6a]S)(C[6a]N[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(SC[6a])	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]S)(C[6a]N[6a]H){1|C<3>,1|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>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|C<3>,1|N<3>,1|S<2>}	118.1220	0.000	1	118.1220	0.000	1	117.3806	0.154	10	115.0465	3.141	93	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	2:2:1:	C[6a]-3:C[6a]-3:	C[5a]-3:N[6a]-2:N[6a]-2:	N[6a]-2:N[6a]-2:F-1:	N[6a](C[6a]C[5a]N[6a])(C[6a]N[6a]F)	C[6a](C[5a]C[5a]N[5a])(N[6a]C[6a])2	C[6a](N[6a]C[6a])2(F)	N[6a](C[6a]C[5a]N[6a])(C[6a]N[6a]F){1|N<3>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(N[6a]C[6a])2{1|H<1>,1|N<2>,1|N<3>,2|C<3>,2|F<1>}	C[6a](N[6a]C[6a])2(F){1|C<3>,1|F<1>,1|N<2>}	113.3520	0.096	2	113.3520	0.009	2	113.3520	0.009	2	115.0465	3.141	93	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	2:2:1:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:N-2:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NC[6a])	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]H){2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NC[6a]){1|N<2>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(H){1|N<2>,2|C<3>}	116.5370	0.718	2	116.5370	0.516	2	116.5370	0.516	2	115.0465	3.141	93	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	2:2:1:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:O-2:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(OC)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H){2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(OC){1|N<2>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(H){1|O<2>,2|C<3>}	115.5580	0.000	1	115.5580	0.000	1	115.3933	0.020	3	115.0465	3.141	93	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	2:2:1:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:O-2:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(OC[6a])	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H){2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(OC[6a]){1|N<2>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(H){1|O<2>,2|C<3>}	115.3110	0.007	2	115.3110	0.000	2	115.3933	0.020	3	115.0465	3.141	93	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	2:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-2:	N[6a]-2:N[6a]-2:Cl-1:	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(NH)	C[6a](N[6a]C[6a])2(Cl)	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]N){1|Br<1>,1|C<3>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(NH){1|Cl<1>,1|H<1>,1|N<2>}	C[6a](N[6a]C[6a])2(Cl){1|C<3>,1|H<1>,1|N<2>}	116.0860	0.000	1	116.0860	0.000	1	115.5773	0.205	3	115.0465	3.141	93	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	2:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-2:	N[6a]-2:N[6a]-2:Cl-1:	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a])	C[6a](N[6a]C[6a])2(Cl)	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]N){2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]){2|Cl<1>,1|N<2>}	C[6a](N[6a]C[6a])2(Cl){1|Cl<1>,1|C<3>,1|N<2>}	115.3230	0.150	2	115.3230	0.022	2	115.5773	0.205	3	115.0465	3.141	93	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	2:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-2:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC)	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H){1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC){1|H<1>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(H){1|C<3>,1|N<2>,1|N<3>}	114.5275	0.042	2	114.5275	0.002	2	114.2740	0.963	4	115.0465	3.141	93	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	2:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-2:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a])	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H){2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]){1|H<1>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(H){1|C<3>,1|N<2>,1|N<3>}	115.1670	0.000	1	115.1670	0.000	1	114.2740	0.963	4	115.0465	3.141	93	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	2:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-2:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a])	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H){1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]){1|Cl<1>,1|H<1>,1|N<2>}	C[6a](N[6a]C[6a])2(H){1|Cl<1>,1|C<3>,1|N<2>}	112.8740	0.000	1	112.8740	0.000	1	114.2740	0.963	4	115.0465	3.141	93	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	2:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[6a]-2:	N[6a]-2:N[6a]-2:Cl-1:	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]Cl)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	C[6a](N[6a]C[6a])2(Cl)	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]Cl){3|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{2|Cl<1>,1|N<2>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a])2(Cl){1|Cl<1>,1|C<3>,1|N<2>}	114.4675	0.060	2	114.4675	0.004	2	114.4675	0.004	2	115.0465	3.141	93	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	2:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-2:	N[6a]-2:N[6a]-2:Cl-1:	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	C[6a](N[6a]C[6a])2(Cl)	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]O){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|Cl<1>,1|H<1>,1|N<2>}	C[6a](N[6a]C[6a])2(Cl){1|C<3>,1|H<1>,1|O<2>}	114.3930	0.000	1	114.3930	0.000	1	113.9996	0.111	7	115.0465	3.141	93	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	2:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-2:	N[6a]-2:N[6a]-2:Cl-1:	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC[6a])	C[6a](N[6a]C[6a])2(Cl)	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]O){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC[6a]){1|Cl<1>,1|H<1>,1|N<2>}	C[6a](N[6a]C[6a])2(Cl){1|C<3>,1|H<1>,1|O<2>}	113.8405	0.264	4	113.8405	0.070	4	113.9996	0.111	7	115.0465	3.141	93	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	2:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-2:	N[6a]-2:N[6a]-2:Cl-1:	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(ON)	C[6a](N[6a]C[6a])2(Cl)	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]O){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(ON){1|Cl<1>,1|H<1>,1|N<2>}	C[6a](N[6a]C[6a])2(Cl){1|C<3>,1|H<1>,1|O<2>}	114.1210	0.414	2	114.1210	0.172	2	113.9996	0.111	7	115.0465	3.141	93	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	2:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-2:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC)	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H){1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC){1|H<1>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(H){1|C<3>,1|N<3>,1|O<2>}	114.4040	0.000	1	114.4040	0.000	1	114.6330	0.215	27	115.0465	3.141	93	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	2:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-2:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|H<1>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(H){1|C<3>,1|N<3>,1|O<2>}	115.0510	0.000	1	114.9490	0.021	2	114.6330	0.215	27	115.0465	3.141	93	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	2:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-2:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|N<2>,2|H<1>}	C[6a](N[6a]C[6a])2(H){1|C<3>,1|H<1>,1|O<2>}	114.8470	0.000	1	114.9490	0.021	2	114.6330	0.215	27	115.0465	3.141	93	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	2:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-2:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC[6a])	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC[6a]){1|C<3>,1|H<1>,1|N<2>}	C[6a](N[6a]C[6a])2(H){1|O<2>,2|C<3>}	114.4672	0.397	18	114.6162	0.231	24	114.6330	0.215	27	115.0465	3.141	93	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	2:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-2:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC[6a])	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC[6a]){1|Cl<1>,1|H<1>,1|N<2>}	C[6a](N[6a]C[6a])2(H){1|Cl<1>,1|C<3>,1|O<2>}	115.1760	0.403	5	114.6162	0.231	24	114.6330	0.215	27	115.0465	3.141	93	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	2:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-2:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC[6a])	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC[6a]){1|H<1>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(H){1|C<3>,1|N<3>,1|O<2>}	114.4980	0.000	1	114.6162	0.231	24	114.6330	0.215	27	115.0465	3.141	93	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	2:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:S-2:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[6a]S)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SC)	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]S)(C[6a]N[6a]H){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SC){1|H<1>,1|N<2>,1|S<2>}	C[6a](N[6a]C[6a])2(H){1|C<3>,2|S<2>}	115.0990	0.850	2	115.0990	0.722	2	115.0990	0.722	2	115.0465	3.141	93	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	2:2:1:	C[6a]-3:C[6a]-3:	N[5a]-3:N[6a]-2:N[6a]-2:	N[6a]-2:N[6a]-2:Cl-1:	N[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]Cl)	C[6a](N[5a]C[5a,6a]2)(N[6a]C[6a])2	C[6a](N[6a]C[6a])2(Cl)	N[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]Cl){3|C<3>}	C[6a](N[5a]C[5a,6a]2)(N[6a]C[6a])2{1|Cl<1>,1|N<2>,1|N<3>,4|C<3>}	C[6a](N[6a]C[6a])2(Cl){1|N<2>,2|N<3>}	112.7935	0.713	4	113.0873	0.527	6	112.8651	0.784	7	115.0465	3.141	93	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	2:2:1:	C[6a]-3:C[6a]-3:	N[5a]-3:N[6a]-2:N[6a]-2:	N[6a]-2:N[6a]-2:Cl-1:	N[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]Cl)	C[6a](N[5a]C[5a,6a]2)(N[6a]C[6a])2	C[6a](N[6a]C[6a])2(Cl)	N[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]Cl){3|C<3>}	C[6a](N[5a]C[5a,6a]2)(N[6a]C[6a])2{2|Cl<1>,1|N<2>,4|C<3>}	C[6a](N[6a]C[6a])2(Cl){1|Cl<1>,1|N<2>,1|N<3>}	113.6750	0.270	2	113.0873	0.527	6	112.8651	0.784	7	115.0465	3.141	93	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	2:2:1:	C[6a]-3:C[6a]-3:	N[5a]-3:N[6a]-2:N[6a]-2:	N[6a]-2:N[6a]-2:Cl-1:	N[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]Cl)	C[6a](N[5a]C[5a]N[5a])(N[6a]C[6a])2	C[6a](N[6a]C[6a])2(Cl)	N[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]Cl){1|N<2>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(N[6a]C[6a])2{1|Cl<1>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](N[6a]C[6a])2(Cl){1|N<2>,2|N<3>}	111.5320	0.000	1	111.5320	0.000	1	112.8651	0.784	7	115.0465	3.141	93	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	2:2:1:	C[6a]-3:C[6a]-3:	N[5a]-3:N[6a]-2:N[6a]-2:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]H)	C[6a](N[5a]C[5a]N[5a])(N[6a]C[6a])2	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]H){1|N<2>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(N[6a]C[6a])2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a])2(H){1|N<2>,2|N<3>}	112.8127	0.438	4	112.8127	0.192	4	112.8127	0.192	4	115.0465	3.141	93	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	2:2:2:	C[6a]-3:C[6a]-3:	C[5,6a]-3:N[6a]-2:O-2:	N[6a]-2:N[6a]-2:N-2:	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]N)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(OZn)	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(NH)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]N){1|C<3>,1|N<3>}	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(OZn){1|Zn<4>,1|C<3>,1|N<3>,2|N<2>}	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(NH){1|C<3>,1|N<3>,1|O<2>}	125.1650	0.000	1	125.1650	0.000	1	125.1650	0.000	1	114.7766	3.333	167	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	2:2:2:	C[6a]-3:C[6a]-3:	C[5,6a]-3:N[6a]-2:O-2:	N[6a]-2:N[6a]-2:S-2:	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]S)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(OC)	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(SC)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]S){1|C<3>,1|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(OC){1|N<2>,1|S<2>,2|C<4>,2|H<1>}	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(SC){1|C<3>,1|C<4>,1|O<2>}	115.9910	0.492	2	115.9910	0.242	2	115.9910	0.242	2	114.7766	3.333	167	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	2:2:2:	C[6a]-3:C[6a]-3:	C[5,6a]-3:N[6a]-2:S-2:	N[6a]-2:N[6a]-2:N-2:	N[6a](C[6a]C[5,6a]S)(C[6a]N[6a]N)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(SRu)	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(NH)	N[6a](C[6a]C[5,6a]S)(C[6a]N[6a]N){1|C<3>,1|N<3>}	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(SRu){1|C<3>,1|N<3>,2|N<2>}	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(NH){1|C<3>,1|N<3>,1|S<2>}	123.6620	0.000	1	123.6620	0.000	1	123.6620	0.000	1	114.7766	3.333	167	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	2:2:2:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:N-2:	N[6a]-2:N[6a]-2:N-2:	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]N)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NN)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NN)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]N){1|C<3>,1|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>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NN){1|C<3>,1|N<2>,1|N<3>}	117.7930	0.000	1	117.7930	0.000	1	117.7930	0.000	1	114.7766	3.333	167	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	2:2:2:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:O-2:	N[6a]-2:N[6a]-2:S-2:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]S)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a])(OS)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(SC)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]S){2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a])(OS){1|C<3>,1|C<4>,1|N<2>,2|S<2>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(SC){1|C<3>,1|O<2>,1|S<2>}	116.0730	0.337	2	116.0730	0.113	2	116.8486	0.649	5	114.7766	3.333	167	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	2:2:2:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:O-2:	N[6a]-2:N[6a]-2:S-2:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]S)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(OC)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(SC)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]S){2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(OC){1|H<1>,1|N<3>,1|S<2>,2|N<2>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(SC){1|C<3>,1|N<3>,1|O<2>}	117.3657	0.488	3	117.3657	0.238	3	116.8486	0.649	5	114.7766	3.333	167	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	2:2:2:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:S-2:	N[6a]-2:N[6a]-2:S-2:	N[6a](C[6a]C[5a,6a]S)(C[6a]N[6a]S)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(SC)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(SC)	N[6a](C[6a]C[5a,6a]S)(C[6a]N[6a]S){2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(SC){1|H<1>,1|N<3>,1|S<2>,2|N<2>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(SC){1|C<3>,1|N<2>,1|S<2>}	117.3448	0.681	5	117.4418	0.167	16	117.4388	0.205	18	114.7766	3.333	167	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	2:2:2:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:S-2:	N[6a]-2:N[6a]-2:S-2:	N[6a](C[6a]C[5a,6a]S)(C[6a]N[6a]S)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(SC)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(SC)	N[6a](C[6a]C[5a,6a]S)(C[6a]N[6a]S){2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(SC){1|H<1>,1|N<3>,1|S<2>,2|N<2>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(SC){1|C<3>,1|N<3>,1|S<2>}	117.4859	0.243	11	117.4418	0.167	16	117.4388	0.205	18	114.7766	3.333	167	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	2:2:2:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:S-2:	N[6a]-2:N[6a]-2:S-2:	N[6a](C[6a]C[5a,6a]S)(C[6a]N[6a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(SC)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(SC)	N[6a](C[6a]C[5a,6a]S)(C[6a]N[6a]S){1|C<3>,1|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>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(SC){1|C<3>,1|N<3>,1|S<2>}	118.1110	0.000	1	118.1110	0.000	1	117.4388	0.205	18	114.7766	3.333	167	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	2:2:2:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:S-2:	N[6a]-2:N[6a]-2:S-2:	N[6a](C[6a]C[5a,6a]S)(C[6a]N[6a]S)	C[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a])(SC)	C[6a](N[6a]N[5a,6a])(N[6a]C[6a])(SC)	N[6a](C[6a]C[5a,6a]S)(C[6a]N[6a]S){1|N<2>,1|N<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a])(SC){1|N<2>,1|S<2>,2|C<3>}	C[6a](N[6a]N[5a,6a])(N[6a]C[6a])(SC){1|S<2>,2|C<3>}	116.7180	0.000	1	116.7180	0.000	1	117.4388	0.205	18	114.7766	3.333	167	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	2:2:2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:O-2:	N[6a]-2:N[6a]-2:S-2:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]S)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(OS)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(SC)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]S){2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(OS){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(SC){1|O<2>,2|C<3>}	115.2160	0.000	1	115.2160	0.000	1	115.2160	0.000	1	114.7766	3.333	167	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	2:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-2:	N[6a]-2:N[6a]-2:S-2:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC)	C[6a](N[6a]C[6a])2(SC)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC){1|Cl<1>,1|N<2>,1|S<2>}	C[6a](N[6a]C[6a])2(SC){1|Cl<1>,1|C<3>,1|N<2>}	116.7740	0.000	1	116.1085	0.886	2	116.1085	0.886	2	114.7766	3.333	167	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	2:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-2:	N[6a]-2:N[6a]-2:S-2:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC)	C[6a](N[6a]C[6a])2(SC)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC){1|N<2>,1|O<2>,1|S<2>}	C[6a](N[6a]C[6a])2(SC){1|C<3>,1|N<2>,1|O<2>}	115.4430	0.000	1	116.1085	0.886	2	116.1085	0.886	2	114.7766	3.333	167	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	2:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[6a]-2:	N[6a]-2:N[6a]-2:O-2:	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]O)	C[6a](C[6a]C[6a,6a]2)(N[6a]C[6a])2	C[6a](N[6a]C[6a])2(OC)	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]O){3|C<3>}	C[6a](C[6a]C[6a,6a]2)(N[6a]C[6a])2{1|N<2>,1|O<2>,5|C<3>}	C[6a](N[6a]C[6a])2(OC){1|N<2>,2|C<3>}	114.0455	0.019	2	113.8828	0.068	4	113.6244	0.114	31	114.7766	3.333	167	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	2:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[6a]-2:	N[6a]-2:N[6a]-2:O-2:	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]O)	C[6a](C[6a]C[6a,6a]2)(N[6a]C[6a])2	C[6a](N[6a]C[6a])2(OC)	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]O){3|C<3>}	C[6a](C[6a]C[6a,6a]2)(N[6a]C[6a])2{1|N<2>,2|O<2>,4|C<3>}	C[6a](N[6a]C[6a])2(OC){1|C<3>,1|N<2>,1|O<2>}	113.7200	0.314	2	113.8828	0.068	4	113.6244	0.114	31	114.7766	3.333	167	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	2:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[6a]-2:	N[6a]-2:N[6a]-2:O-2:	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]O)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	C[6a](N[6a]C[6a])2(OC[6a])	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]O){3|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{1|N<2>,2|C<3>,2|H<1>,2|O<2>}	C[6a](N[6a]C[6a])2(OC[6a]){1|C<3>,1|N<2>,1|O<2>}	113.5861	0.334	27	113.5861	0.112	27	113.6244	0.114	31	114.7766	3.333	167	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	2:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[6a]-2:	N[6a]-2:N[6a]-2:S-2:	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]S)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	C[6a](N[6a]C[6a])2(SC)	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]S){3|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{1|N<2>,1|N<3>,1|S<2>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a])2(SC){1|C<3>,1|N<2>,1|N<3>}	113.2530	0.000	1	113.2530	0.000	1	113.2530	0.000	1	114.7766	3.333	167	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	2:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-2:	N[6a]-2:N[6a]-2:N-2:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC)	C[6a](N[6a]C[6a])2(NC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N){2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC){1|N<3>,2|N<2>}	C[6a](N[6a]C[6a])2(NC){1|C<3>,1|N<3>,1|O<2>}	115.3675	0.375	2	115.3675	0.141	2	115.3675	0.141	2	114.7766	3.333	167	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	2:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-2:	N[6a]-2:N[6a]-2:O-2:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(OC)	C[6a](N[6a]C[6a])2(OC[6a])	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O){1|Br<1>,1|C<3>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(OC){1|N<2>,2|O<2>}	C[6a](N[6a]C[6a])2(OC[6a]){1|C<3>,2|O<2>}	114.6050	0.632	4	114.6050	0.399	4	114.2515	0.702	41	114.7766	3.333	167	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	2:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-2:	N[6a]-2:N[6a]-2:O-2:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC)	C[6a](N[6a]C[6a])2(OC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O){2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC){1|H<1>,1|N<2>,1|O<2>}	C[6a](N[6a]C[6a])2(OC){1|C<3>,1|H<1>,1|O<2>}	115.0160	0.000	1	115.0160	0.000	1	114.2515	0.702	41	114.7766	3.333	167	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	2:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-2:	N[6a]-2:N[6a]-2:O-2:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(OC)	C[6a](N[6a]C[6a])2(OC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O){2|C<3>}	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(OC){1|Ir<6>,1|C<3>,1|N<2>,1|N<3>,1|O<2>}	C[6a](N[6a]C[6a])2(OC){1|Ir<6>,1|C<3>,1|O<2>}	114.7727	1.149	3	114.7727	1.321	3	114.2515	0.702	41	114.7766	3.333	167	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	2:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-2:	N[6a]-2:N[6a]-2:O-2:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(OC)	C[6a](N[6a]C[6a])2(OC[6a])	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O){1|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(OC){1|N<2>,2|O<2>}	C[6a](N[6a]C[6a])2(OC[6a]){1|C<3>,2|O<2>}	115.0230	0.294	4	115.0230	0.086	4	114.2515	0.702	41	114.7766	3.333	167	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	2:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-2:	N[6a]-2:N[6a]-2:O-2:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	C[6a](N[6a]C[6a])2(OC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|N<2>,1|N<3>,1|O<2>}	C[6a](N[6a]C[6a])2(OC){1|C<3>,1|N<3>,1|O<2>}	113.5950	0.647	3	113.5950	0.419	3	114.2515	0.702	41	114.7766	3.333	167	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	2:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-2:	N[6a]-2:N[6a]-2:O-2:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	C[6a](N[6a]C[6a])2(OC[6a])	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|N<2>,2|O<2>}	C[6a](N[6a]C[6a])2(OC[6a]){1|C<3>,2|O<2>}	113.8787	0.638	23	113.8787	0.407	23	114.2515	0.702	41	114.7766	3.333	167	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	2:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-2:	N[6a]-2:N[6a]-2:O-2:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC)	C[6a](N[6a]C[6a])2(OC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O){1|C<3>,1|N<2>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC){1|N<2>,1|N<3>,1|O<2>}	C[6a](N[6a]C[6a])2(OC){1|C<3>,1|N<3>,1|O<2>}	114.7680	0.000	1	115.4903	0.401	3	114.2515	0.702	41	114.7766	3.333	167	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	2:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-2:	N[6a]-2:N[6a]-2:O-2:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC)	C[6a](N[6a]C[6a])2(OC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O){1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC){1|N<2>,1|N<3>,1|O<2>}	C[6a](N[6a]C[6a])2(OC){1|C<3>,1|N<3>,1|O<2>}	115.8515	0.142	2	115.4903	0.401	3	114.2515	0.702	41	114.7766	3.333	167	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	2:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-2:	N[6a]-2:N[6a]-2:S-2:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(OC)	C[6a](N[6a]C[6a])2(SC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S){2|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(OC){1|N<2>,1|N<3>,1|S<2>,2|C<3>}	C[6a](N[6a]C[6a])2(SC){1|C<3>,1|N<3>,1|O<2>}	114.5170	0.000	1	114.9330	0.076	5	115.0329	0.547	30	114.7766	3.333	167	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	2:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-2:	N[6a]-2:N[6a]-2:S-2:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(OC)	C[6a](N[6a]C[6a])2(SC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S){2|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(OC){1|N<2>,1|O<2>,1|S<2>,2|C<3>}	C[6a](N[6a]C[6a])2(SC){1|C<3>,2|O<2>}	115.0370	0.171	4	114.9330	0.076	5	115.0329	0.547	30	114.7766	3.333	167	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	2:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-2:	N[6a]-2:N[6a]-2:S-2:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	C[6a](N[6a]C[6a])2(SC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|N<2>,1|N<3>,1|S<2>}	C[6a](N[6a]C[6a])2(SC){1|C<3>,1|N<3>,1|O<2>}	114.2435	0.135	2	114.5886	0.230	7	115.0329	0.547	30	114.7766	3.333	167	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	2:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-2:	N[6a]-2:N[6a]-2:S-2:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	C[6a](N[6a]C[6a])2(SC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|N<2>,1|O<2>,1|S<2>}	C[6a](N[6a]C[6a])2(SC){1|C<3>,2|O<2>}	114.8380	0.509	4	114.5886	0.230	7	115.0329	0.547	30	114.7766	3.333	167	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	2:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-2:	N[6a]-2:N[6a]-2:S-2:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	C[6a](N[6a]C[6a])2(SC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|S<2>,2|N<2>}	C[6a](N[6a]C[6a])2(SC){1|C<3>,1|N<2>,1|O<2>}	114.2810	0.000	1	114.5886	0.230	7	115.0329	0.547	30	114.7766	3.333	167	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	2:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-2:	N[6a]-2:N[6a]-2:S-2:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	C[6a](N[6a]C[6a])2(SC[6a])	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|Cl<1>,1|N<2>,1|S<2>}	C[6a](N[6a]C[6a])2(SC[6a]){1|Cl<1>,1|C<3>,1|O<2>}	115.0540	0.000	1	115.3118	1.227	5	115.0329	0.547	30	114.7766	3.333	167	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	2:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-2:	N[6a]-2:N[6a]-2:S-2:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	C[6a](N[6a]C[6a])2(SC[6a])	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|N<2>,1|O<2>,1|S<2>}	C[6a](N[6a]C[6a])2(SC[6a]){1|C<3>,2|O<2>}	115.3762	1.268	4	115.3118	1.227	5	115.0329	0.547	30	114.7766	3.333	167	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	2:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-2:	N[6a]-2:N[6a]-2:S-2:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC[6a])	C[6a](N[6a]C[6a])2(SC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC[6a]){1|N<2>,1|O<2>,1|S<2>}	C[6a](N[6a]C[6a])2(SC){1|C<3>,2|O<2>}	114.8355	0.388	8	114.8355	0.150	8	115.0329	0.547	30	114.7766	3.333	167	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	2:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-2:	N[6a]-2:N[6a]-2:S-2:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OH)	C[6a](N[6a]C[6a])2(SPt)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OH){1|N<2>,1|O<2>,1|S<2>}	C[6a](N[6a]C[6a])2(SPt){1|C<3>,2|O<2>}	115.7990	0.264	2	115.7990	0.070	2	115.0329	0.547	30	114.7766	3.333	167	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	2:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-2:	N[6a]-2:N[6a]-2:S-2:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OP[6])	C[6a](N[6a]C[6a])2(SC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OP[6]){1|C<4>,1|N<2>,1|S<2>}	C[6a](N[6a]C[6a])2(SC){1|C<3>,1|C<4>,1|O<2>}	117.2040	0.000	1	117.2040	0.000	1	115.0329	0.547	30	114.7766	3.333	167	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	2:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-2:	N[6a]-2:N[6a]-2:S-2:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC)	C[6a](N[6a]C[6a])2(SC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S){1|C<3>,1|N<2>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC){1|N<2>,1|N<3>,1|S<2>}	C[6a](N[6a]C[6a])2(SC){1|C<3>,1|N<3>,1|O<2>}	115.0780	0.363	2	115.0780	0.132	2	115.0329	0.547	30	114.7766	3.333	167	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	2:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:S-2:	N[6a]-2:N[6a]-2:S-2:	N[6a](C[6a]C[6a]S)(C[6a]N[6a]S)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SC[6a])	C[6a](N[6a]C[6a])2(SC)	N[6a](C[6a]C[6a]S)(C[6a]N[6a]S){1|C<2>,1|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SC[6a]){1|C<4>,1|N<2>,1|S<2>}	C[6a](N[6a]C[6a])2(SC){1|C<3>,1|C<4>,1|S<2>}	116.2027	0.443	3	116.2027	0.196	3	115.4913	0.598	8	114.7766	3.333	167	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	2:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:S-2:	N[6a]-2:N[6a]-2:S-2:	N[6a](C[6a]C[6a]S)(C[6a]N[6a]S)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SC)	C[6a](N[6a]C[6a])2(SC)	N[6a](C[6a]C[6a]S)(C[6a]N[6a]S){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SC){1|N<2>,2|S<2>}	C[6a](N[6a]C[6a])2(SC){1|C<3>,2|S<2>}	114.9080	0.714	2	114.9080	0.510	2	115.4913	0.598	8	114.7766	3.333	167	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	2:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:S-2:	N[6a]-2:N[6a]-2:S-2:	N[6a](C[6a]C[6a]S)(C[6a]N[6a]S)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SC[6a])	C[6a](N[6a]C[6a])2(SC)	N[6a](C[6a]C[6a]S)(C[6a]N[6a]S){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SC[6a]){1|N<2>,2|S<2>}	C[6a](N[6a]C[6a])2(SC){1|C<3>,2|S<2>}	114.8180	0.190	2	114.8180	0.036	2	115.4913	0.598	8	114.7766	3.333	167	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	2:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:S-2:	N[6a]-2:N[6a]-2:S-2:	N[6a](C[6a]C[6a]S)(C[6a]N[6a]S)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SC[6a])	C[6a](N[6a]C[6a])2(SC[6a])	N[6a](C[6a]C[6a]S)(C[6a]N[6a]S){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SC[6a]){1|H<1>,1|N<2>,1|S<2>}	C[6a](N[6a]C[6a])2(SC[6a]){1|C<3>,1|H<1>,1|S<2>}	115.8700	0.000	1	115.8700	0.000	1	115.4913	0.598	8	114.7766	3.333	167	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	2:2:2:	C[6a]-3:C[6a]-3:	N[5a]-3:N[6a]-2:N[6a]-2:	N[6a]-2:N[6a]-2:O-2:	N[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]O)	C[6a](N[5a]C[5a,6a]2)(N[6a]C[6a])2	C[6a](N[6a]C[6a])2(OC)	N[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]O){3|C<3>}	C[6a](N[5a]C[5a,6a]2)(N[6a]C[6a])2{1|N<2>,1|N<3>,1|O<2>,4|C<3>}	C[6a](N[6a]C[6a])2(OC){1|N<2>,2|N<3>}	112.7916	0.374	16	112.7916	0.140	16	112.7916	0.140	16	114.7766	3.333	167	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	2:2:2:	C[6a]-3:C[6a]-3:	N[6]-3:N[6a]-2:N[6a]-2:	N[6a]-2:N[6a]-2:O-2:	N[6a](C[6a]N[6a]N[6])(C[6a]N[6a]O)	C[6a](N[6]C[6,6a]2)(N[6a]C[6a])2	C[6a](N[6a]C[6a])2(OC)	N[6a](C[6a]N[6a]N[6])(C[6a]N[6a]O){3|C<3>}	C[6a](N[6]C[6,6a]2)(N[6a]C[6a])2{1|N<2>,2|O<2>,4|C<3>}	C[6a](N[6a]C[6a])2(OC){1|N<2>,1|N<3>,1|O<2>}	113.1635	0.606	2	113.1635	0.367	2	113.1635	0.367	2	114.7766	3.333	167	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	2:2:2:	C[6a]-3:C[6a]-3:	N[6a]-3:N[6a]-2:O-2:	N[6a]-2:N[6a]-2:O-2:	N[6a](C[6a]N[6a]O)2	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(OC)	C[6a](N[6a]C[6a])2(OC)	N[6a](C[6a]N[6a]O)2{1|C<3>,1|C<4>}	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(OC){1|N<2>,1|O<1>,1|O<2>}	C[6a](N[6a]C[6a])2(OC){1|N<3>,1|O<1>,1|O<2>}	113.4910	0.432	4	113.4910	0.187	4	113.3890	0.192	5	114.7766	3.333	167	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	2:2:2:	C[6a]-3:C[6a]-3:	N[6a]-3:N[6a]-2:O-2:	N[6a]-2:N[6a]-2:O-2:	N[6a](C[6a]N[6a]O)2	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(OC)	C[6a](N[6a]C[6a])2(OC)	N[6a](C[6a]N[6a]O)2{1|C<3>,1|H<1>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(OC){1|N<2>,1|O<1>,1|O<2>}	C[6a](N[6a]C[6a])2(OC){1|N<3>,1|O<1>,1|O<2>}	112.9810	0.000	1	112.9810	0.000	1	113.3890	0.192	5	114.7766	3.333	167	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	2:2:3:	C[6a]-3:C[6a]-3:	C[5,6a]-3:N[6a]-2:S-2:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[5,6a]S)(C[6a]N[6a]N)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(SCo)	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[5,6a]S)(C[6a]N[6a]N){1|C<3>,1|N<3>}	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(SCo){1|C<3>,1|N<2>,2|N<3>}	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(NHH){1|C<3>,1|N<3>,1|S<2>}	116.9427	0.344	6	116.9427	0.118	6	116.9427	0.118	6	114.8926	1.650	455	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	2:2:3:	C[6a]-3:C[6a]-3:	C[5]-3:N[6a]-2:N[6a]-2:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]N[6a]C[5])(C[6a]N[6a]N)	C[6a](C[5]C[5]S[5])(N[6a]C[6a])2	C[6a](N[6a]C[6a])2(NC[6]2)	N[6a](C[6a]N[6a]C[5])(C[6a]N[6a]N){1|S<2>,2|C<3>}	C[6a](C[5]C[5]S[5])(N[6a]C[6a])2{1|H<1>,1|N<2>,1|N<3>,1|S<2>,2|C<3>}	C[6a](N[6a]C[6a])2(NC[6]2){1|N<2>,2|C<3>}	113.3165	0.474	2	113.3165	0.225	2	113.3165	0.225	2	114.8926	1.650	455	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	2:2:3:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:C-2:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[5a,6a]C)(C[6a]N[6a]N)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CC)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NC[6a]H)	N[6a](C[6a]C[5a,6a]C)(C[6a]N[6a]N){1|C<3>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CC){1|C<3>,1|C<4>,1|N<3>,2|N<2>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NC[6a]H){1|C<2>,1|C<3>,1|N<2>}	117.9280	0.181	2	117.9280	0.033	2	117.9280	0.033	2	114.8926	1.650	455	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	2:2:3:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:N-2:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]N)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NH)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]N){1|C<3>,1|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>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH){1|C<3>,1|N<2>,1|N<3>}	118.4600	0.000	1	118.4600	0.000	1	118.4600	0.000	1	114.8926	1.650	455	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	2:2:3:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:O-2:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(OC)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NCC)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N){2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(OC){1|H<1>,2|N<2>,2|N<3>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NCC){1|C<3>,1|N<3>,1|O<2>}	116.8660	0.000	1	116.8660	0.000	1	117.2800	0.262	4	114.8926	1.650	455	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	2:2:3:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:O-2:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(OC)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N){2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(OC){1|C<3>,1|C<4>,1|N<2>,2|N<3>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH){1|C<3>,1|N<3>,1|O<2>}	117.5520	0.000	1	117.5520	0.000	1	117.2800	0.262	4	114.8926	1.650	455	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	2:2:3:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:O-2:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(OC)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N){1|C<3>,1|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>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH){1|C<3>,1|N<3>,1|O<2>}	117.3510	0.728	2	117.3510	0.530	2	117.2800	0.262	4	114.8926	1.650	455	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	2:2:3:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:O-2:	N[6a]-2:N[6a]-2:N[6]-3:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N[6])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a])(OS)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(N[6]C[6]2)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N[6]){2|C<3>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a])(OS){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|S<2>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(N[6]C[6]2){1|C<3>,1|O<2>,1|S<2>,2|C<4>,4|H<1>}	116.2500	0.000	1	116.2500	0.000	1	116.2500	0.000	1	114.8926	1.650	455	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	2:2:3:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:S-2:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[5a,6a]S)(C[6a]N[6a]N)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(SC)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[5a,6a]S)(C[6a]N[6a]N){2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(SC){1|C<3>,1|C<4>,1|N<2>,2|N<3>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH){1|C<3>,1|N<3>,1|S<2>}	118.0860	0.000	1	118.0860	0.000	1	117.8695	0.053	4	114.8926	1.650	455	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	2:2:3:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:S-2:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[5a,6a]S)(C[6a]N[6a]N)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(SC)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[5a,6a]S)(C[6a]N[6a]N){1|C<3>,1|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>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH){1|C<3>,1|N<3>,1|S<2>}	117.9780	0.000	1	117.9780	0.000	1	117.8695	0.053	4	114.8926	1.650	455	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	2:2:3:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:S-2:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[5a,6a]S)(C[6a]N[6a]N)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(SC[6a])	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[5a,6a]S)(C[6a]N[6a]N){1|C<3>,1|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>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH){1|C<3>,1|N<3>,1|S<2>}	117.7070	0.216	2	117.7070	0.047	2	117.8695	0.053	4	114.8926	1.650	455	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	2:2:3:	C[6a]-3:C[6a]-3:	C[5a]-3:N[6a]-2:N[6a]-2:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[5a]N[6a])(C[6a]N[6a]N)	C[6a](C[5a]C[5a]2)(N[6a]C[6a])2	C[6a](N[6a]C[6a])2(NC[6a]2)	N[6a](C[6a]C[5a]N[6a])(C[6a]N[6a]N){3|C<3>}	C[6a](C[5a]C[5a]2)(N[6a]C[6a])2{1|N<2>,1|N<3>,1|S<2>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a])2(NC[6a]2){1|N<2>,2|C<3>}	114.3165	0.026	2	114.3165	0.001	2	114.0429	0.164	8	114.8926	1.650	455	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	2:2:3:	C[6a]-3:C[6a]-3:	C[5a]-3:N[6a]-2:N[6a]-2:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[5a]N[6a])(C[6a]N[6a]N)	C[6a](C[5a]C[5a]N[5a])(N[6a]C[6a])2	C[6a](N[6a]C[6a])2(NCC)	N[6a](C[6a]C[5a]N[6a])(C[6a]N[6a]N){1|N<3>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(N[6a]C[6a])2{1|C<4>,1|H<1>,1|N<2>,2|C<3>,2|N<3>}	C[6a](N[6a]C[6a])2(NCC){1|C<3>,1|N<2>,1|N<3>}	114.4710	0.000	1	114.4710	0.000	1	114.0429	0.164	8	114.8926	1.650	455	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	2:2:3:	C[6a]-3:C[6a]-3:	C[5a]-3:N[6a]-2:N[6a]-2:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[5a]N[6a])(C[6a]N[6a]N)	C[6a](C[5a]C[5a]N[5a])(N[6a]C[6a])2	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[5a]N[6a])(C[6a]N[6a]N){1|N<2>,2|C<3>}	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>}	C[6a](N[6a]C[6a])2(NHH){1|C<3>,1|N<2>,1|N<3>}	113.9020	0.434	4	113.8478	0.156	5	114.0429	0.164	8	114.8926	1.650	455	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	2:2:3:	C[6a]-3:C[6a]-3:	C[5a]-3:N[6a]-2:N[6a]-2:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[5a]N[6a])(C[6a]N[6a]N)	C[6a](C[5a]C[5a]N[5a])(N[6a]C[6a])2	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[5a]N[6a])(C[6a]N[6a]N){1|N<3>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(N[6a]C[6a])2{1|C<4>,1|H<1>,1|N<2>,2|C<3>,2|N<3>}	C[6a](N[6a]C[6a])2(NHH){1|C<3>,1|N<2>,1|N<3>}	113.6310	0.000	1	113.8478	0.156	5	114.0429	0.164	8	114.8926	1.650	455	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	2:2:3:	C[6a]-3:C[6a]-3:	C[6,6a]-3:N[6a]-2:O-2:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]N)	C[6a](C[6,6a]C[6,6a]N[6])(N[6a]C[6a])(ONi)	C[6a](N[6a]C[6,6a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]N){1|C<3>,1|N<3>}	C[6a](C[6,6a]C[6,6a]N[6])(N[6a]C[6a])(ONi){1|C<3>,1|N<3>,2|N<2>}	C[6a](N[6a]C[6,6a])(N[6a]C[6a])(NHH){1|C<3>,1|N<2>,1|O<2>}	117.7670	0.000	1	117.7670	0.000	1	117.7670	0.000	1	114.8926	1.650	455	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	2:2:3:	C[6a]-3:C[6a]-3:	C[6]-3:N[6a]-2:N[6a]-2:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]N[6a]C[6])(C[6a]N[6a]N)	C[6a](C[6]C[6]N[6])(N[6a]C[6a])2	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]N[6a]C[6])(C[6a]N[6a]N){1|N<3>,2|C<3>}	C[6a](C[6]C[6]N[6])(N[6a]C[6a])2{1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6a](N[6a]C[6a])2(NHH){1|N<2>,2|C<3>}	114.5395	0.366	4	114.5395	0.134	4	114.5395	0.134	4	114.8926	1.650	455	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-2:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC)	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC){1|C<2>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(NHH){1|C<3>,2|C<2>}	116.2970	0.252	2	115.8212	0.323	4	115.8212	0.323	4	114.8926	1.650	455	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-2:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC)	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC){1|C<4>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(NHH){1|C<2>,1|C<3>,1|C<4>}	115.3455	0.004	2	115.8212	0.323	4	115.8212	0.323	4	114.8926	1.650	455	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-2:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a])	C[6a](N[6a]C[6a])2(NCC)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]){1|N<2>,1|N<3>,1|O<2>}	C[6a](N[6a]C[6a])2(NCC){1|C<3>,1|N<2>,1|O<2>}	115.8840	0.000	1	115.8840	0.000	1	116.4215	0.578	2	114.8926	1.650	455	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-2:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(NH)	C[6a](N[6a]C[6a])(N[6a]N[6a])(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){1|C<3>,1|N<2>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(NH){1|N<2>,1|N<3>,2|C<3>}	C[6a](N[6a]C[6a])(N[6a]N[6a])(NHH){1|C<3>,1|N<2>}	116.9590	0.000	1	116.9590	0.000	1	116.4215	0.578	2	114.8926	1.650	455	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[6a]-2:	N[6a]-2:N[6a]-2:C[6]-3:	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C[6])	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	C[6a](N[6a]C[6a])2(C[6]C[6]2)	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C[6]){5|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{1|N<2>,2|H<1>,4|C<3>}	C[6a](N[6a]C[6a])2(C[6]C[6]2){1|N<2>,2|H<1>,4|C<3>}	114.7280	0.091	2	114.7280	0.008	2	114.7280	0.008	2	114.8926	1.650	455	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[6a]-2:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N)	C[6a](C[6a]C[6a,6a]2)(N[6a]C[6a])2	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N){3|C<3>}	C[6a](C[6a]C[6a,6a]2)(N[6a]C[6a])2{1|N<2>,2|C<3>,2|N<3>,2|O<2>}	C[6a](N[6a]C[6a])2(NHH){1|C<3>,1|N<2>,1|N<3>}	113.9180	0.247	2	113.9180	0.061	2	114.4040	1.457	241	114.8926	1.650	455	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[6a]-2:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N)	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a])2	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N){3|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a])2{1|H<1>,1|N<2>,2|N<3>,3|C<3>}	C[6a](N[6a]C[6a])2(NHH){1|C<3>,1|N<2>,1|N<3>}	115.1337	2.034	20	115.1337	4.139	20	114.4040	1.457	241	114.8926	1.650	455	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[6a]-2:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	C[6a](N[6a]C[6a])2(NCC)	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N){3|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{1|N<2>,2|C<3>,2|H<1>,2|N<3>}	C[6a](N[6a]C[6a])2(NCC){1|C<3>,1|N<2>,1|N<3>}	114.3280	0.000	1	114.3280	0.000	1	114.4040	1.457	241	114.8926	1.650	455	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[6a]-2:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	C[6a](N[6a]C[6a])2(NC[6]H)	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N){3|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6a](N[6a]C[6a])2(NC[6]H){1|N<2>,2|C<3>}	114.8860	0.367	3	114.8860	0.134	3	114.4040	1.457	241	114.8926	1.650	455	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[6a]-2:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	C[6a](N[6a]C[6a])2(NC[6a]H)	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N){3|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{1|N<2>,2|C<3>,2|H<1>,2|N<3>}	C[6a](N[6a]C[6a])2(NC[6a]H){1|C<3>,1|N<2>,1|N<3>}	113.9350	0.401	3	113.9350	0.161	3	114.4040	1.457	241	114.8926	1.650	455	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[6a]-2:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N){3|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{1|C<2>,1|H<1>,1|N<2>,2|C<3>,2|N<3>}	C[6a](N[6a]C[6a])2(NHH){1|C<3>,1|N<2>,1|N<3>}	114.0065	0.749	4	114.4000	1.192	193	114.4040	1.457	241	114.8926	1.650	455	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[6a]-2:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N){3|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{1|C<3>,2|H<1>,2|N<2>,2|N<3>}	C[6a](N[6a]C[6a])2(NHH){1|C<3>,1|N<2>,1|N<3>}	113.7335	0.792	6	114.4000	1.192	193	114.4040	1.457	241	114.8926	1.650	455	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[6a]-2:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N){3|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{1|H<1>,1|N<2>,1|O<2>,2|C<3>,2|N<3>}	C[6a](N[6a]C[6a])2(NHH){1|C<3>,1|N<2>,1|N<3>}	114.3884	0.496	8	114.4000	1.192	193	114.4040	1.457	241	114.8926	1.650	455	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[6a]-2:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N){3|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{1|H<1>,1|N<2>,2|N<3>,3|C<3>}	C[6a](N[6a]C[6a])2(NHH){1|C<3>,1|N<2>,1|N<3>}	114.3287	0.236	4	114.4000	1.192	193	114.4040	1.457	241	114.8926	1.650	455	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[6a]-2:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N){3|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{1|N<2>,1|N<3>,1|N<4>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a])2(NHH){1|C<3>,1|N<2>,1|N<4>}	116.4680	0.000	1	114.4000	1.192	193	114.4040	1.457	241	114.8926	1.650	455	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[6a]-2:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N){3|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{1|N<2>,1|N<3>,1|S<2>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a])2(NHH){1|C<3>,1|N<2>,1|S<2>}	114.3270	0.000	1	114.4000	1.192	193	114.4040	1.457	241	114.8926	1.650	455	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[6a]-2:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N){3|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{1|N<2>,2|C<3>,2|C<4>,2|N<3>}	C[6a](N[6a]C[6a])2(NHH){1|C<3>,1|N<2>,1|N<3>}	114.4474	0.792	30	114.4000	1.192	193	114.4040	1.457	241	114.8926	1.650	455	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[6a]-2:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N){3|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{1|N<2>,2|C<3>,2|H<1>,2|N<3>}	C[6a](N[6a]C[6a])2(NHH){1|C<3>,1|N<2>,1|N<3>}	114.4183	1.192	139	114.4000	1.192	193	114.4040	1.457	241	114.8926	1.650	455	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[6a]-2:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])2	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N){1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])2{1|C<3>,1|H<1>,2|N<2>,2|N<3>}	C[6a](N[6a]C[6a])2(NHH){1|C<3>,1|N<2>,1|N<3>}	113.6015	0.448	2	113.7506	1.191	18	114.4040	1.457	241	114.8926	1.650	455	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[6a]-2:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])2	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N){1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])2{1|H<1>,1|N<2>,2|C<3>,2|N<3>}	C[6a](N[6a]C[6a])2(NHH){1|C<3>,1|N<2>,1|N<3>}	113.7692	1.155	16	113.7506	1.191	18	114.4040	1.457	241	114.8926	1.650	455	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[6a]-2:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N)	C[6a](C[6a]N[6a]2)(N[6a]C[6a])2	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N){1|C<3>,2|N<2>}	C[6a](C[6a]N[6a]2)(N[6a]C[6a])2{1|N<2>,2|C<3>,2|N<3>}	C[6a](N[6a]C[6a])2(NHH){1|C<3>,1|N<2>,1|N<3>}	113.3450	0.000	1	113.3450	0.000	1	114.4040	1.457	241	114.8926	1.650	455	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-2:	N[6a]-2:N[6a]-2:C-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]C)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	C[6a](N[6a]C[6a])2(CC[6a]O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]C){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|C<3>,1|N<2>,1|O<2>}	C[6a](N[6a]C[6a])2(CC[6a]O){1|C<3>,2|O<2>}	114.6380	0.031	2	114.6380	0.001	2	114.6380	0.001	2	114.8926	1.650	455	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-2:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC)	C[6a](N[6a]C[6a])2(NCC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N){1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC){1|C<4>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(NCC){1|C<3>,1|C<4>,1|O<2>}	114.7130	0.000	1	115.2953	0.370	3	115.3827	0.723	148	114.8926	1.650	455	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-2:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC)	C[6a](N[6a]C[6a])2(NCC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N){2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC){1|N<2>,2|N<3>}	C[6a](N[6a]C[6a])2(NCC){1|C<3>,1|N<3>,1|O<2>}	115.9270	0.000	1	115.2953	0.370	3	115.3827	0.723	148	114.8926	1.650	455	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-2:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC)	C[6a](N[6a]C[6a])2(NCC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N){2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC){1|N<3>,2|N<2>}	C[6a](N[6a]C[6a])2(NCC){1|C<3>,1|N<2>,1|O<2>}	115.2460	0.000	1	115.2953	0.370	3	115.3827	0.723	148	114.8926	1.650	455	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-2:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC)	C[6a](N[6a]C[6a])2(NCH)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N){2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC){1|N<2>,2|N<3>}	C[6a](N[6a]C[6a])2(NCH){1|C<3>,1|N<3>,1|O<2>}	115.5330	0.000	1	115.5330	0.000	1	115.3827	0.723	148	114.8926	1.650	455	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-2:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC)	C[6a](N[6a]C[6a])2(NC[6a]C)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N){1|C<2>,1|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC){1|N<2>,2|N<3>}	C[6a](N[6a]C[6a])2(NC[6a]C){1|C<3>,1|N<3>,1|O<2>}	114.4520	0.000	1	114.4520	0.000	1	115.3827	0.723	148	114.8926	1.650	455	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-2:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC)	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N){2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC){1|N<2>,2|N<3>}	C[6a](N[6a]C[6a])2(NHH){1|C<3>,1|N<3>,1|O<2>}	114.9793	0.138	3	114.9793	0.019	3	115.3827	0.723	148	114.8926	1.650	455	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-2:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	C[6a](N[6a]C[6a])2(NCH)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|C<4>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(NCH){1|C<3>,1|C<4>,1|O<2>}	115.2850	0.000	1	115.0223	0.855	48	115.3827	0.723	148	114.8926	1.650	455	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-2:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	C[6a](N[6a]C[6a])2(NCH)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|Cl<1>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(NCH){1|Cl<1>,1|C<3>,1|O<2>}	115.4217	3.174	3	115.0223	0.855	48	115.3827	0.723	148	114.8926	1.650	455	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-2:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	C[6a](N[6a]C[6a])2(NCH)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|H<1>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(NCH){1|C<3>,1|H<1>,1|O<2>}	116.3250	0.147	2	115.0223	0.855	48	115.3827	0.723	148	114.8926	1.650	455	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-2:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	C[6a](N[6a]C[6a])2(NCH)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|N<2>,1|N<3>,1|O<2>}	C[6a](N[6a]C[6a])2(NCH){1|C<3>,2|O<2>}	114.9255	0.619	42	115.0223	0.855	48	115.3827	0.723	148	114.8926	1.650	455	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-2:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	C[6a](N[6a]C[6a])2(NC[6]C)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|N<2>,1|N<3>,1|O<2>}	C[6a](N[6a]C[6a])2(NC[6]C){1|C<3>,2|O<2>}	114.6575	0.152	2	114.6575	0.023	2	115.3827	0.723	148	114.8926	1.650	455	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-2:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|C<3>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(NHH){1|O<2>,2|C<3>}	115.0750	0.335	2	115.6091	0.783	50	115.3827	0.723	148	114.8926	1.650	455	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-2:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|Cl<1>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(NHH){1|Cl<1>,1|C<3>,1|O<2>}	115.9705	0.161	2	115.6091	0.783	50	115.3827	0.723	148	114.8926	1.650	455	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-2:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|H<1>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(NHH){1|C<3>,1|H<1>,1|O<2>}	115.9010	0.170	2	115.6091	0.783	50	115.3827	0.723	148	114.8926	1.650	455	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-2:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|N<2>,1|N<3>,1|O<2>}	C[6a](N[6a]C[6a])2(NHH){1|C<3>,2|O<2>}	115.6910	0.857	42	115.6091	0.783	50	115.3827	0.723	148	114.8926	1.650	455	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-2:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|N<2>,2|N<3>}	C[6a](N[6a]C[6a])2(NHH){1|C<3>,1|N<3>,1|O<2>}	113.7695	0.127	2	115.6091	0.783	50	115.3827	0.723	148	114.8926	1.650	455	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-2:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OH)	C[6a](N[6a]C[6a])2(NCH)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OH){1|C<4>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(NCH){1|C<3>,1|C<4>,1|O<2>}	114.9020	0.000	1	114.7535	0.044	2	115.3827	0.723	148	114.8926	1.650	455	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-2:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OH)	C[6a](N[6a]C[6a])2(NCH)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OH){1|N<2>,2|N<3>}	C[6a](N[6a]C[6a])2(NCH){1|C<3>,1|N<3>,1|O<2>}	114.6050	0.000	1	114.7535	0.044	2	115.3827	0.723	148	114.8926	1.650	455	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-2:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC)	C[6a](N[6a]C[6a])2(NCH)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N){1|C<3>,1|N<2>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC){1|N<2>,1|N<3>,1|O<2>}	C[6a](N[6a]C[6a])2(NCH){1|C<3>,2|O<2>}	115.5185	0.262	2	115.3612	0.063	4	115.3827	0.723	148	114.8926	1.650	455	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-2:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC)	C[6a](N[6a]C[6a])2(NCH)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N){1|C<3>,1|N<2>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC){1|N<2>,2|N<3>}	C[6a](N[6a]C[6a])2(NCH){1|C<3>,1|N<3>,1|O<2>}	115.2040	0.143	2	115.3612	0.063	4	115.3827	0.723	148	114.8926	1.650	455	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-2:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC)	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N){1|C<3>,1|N<2>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC){1|N<2>,1|N<3>,1|O<2>}	C[6a](N[6a]C[6a])2(NHH){1|C<3>,2|O<2>}	115.8920	0.752	10	115.7070	0.334	34	115.3827	0.723	148	114.8926	1.650	455	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-2:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC)	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N){1|C<3>,1|N<2>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC){1|N<2>,2|N<3>}	C[6a](N[6a]C[6a])2(NHH){1|C<3>,1|N<3>,1|O<2>}	115.4118	0.346	17	115.7070	0.334	34	115.3827	0.723	148	114.8926	1.650	455	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-2:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC)	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N){1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC){1|N<2>,1|N<3>,1|O<2>}	C[6a](N[6a]C[6a])2(NHH){1|C<3>,2|O<2>}	116.5660	0.342	2	115.7070	0.334	34	115.3827	0.723	148	114.8926	1.650	455	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-2:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC)	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N){1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC){1|N<2>,2|N<3>}	C[6a](N[6a]C[6a])2(NHH){1|C<3>,1|N<3>,1|O<2>}	115.9974	0.216	5	115.7070	0.334	34	115.3827	0.723	148	114.8926	1.650	455	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-2:	N[6a]-2:N[6a]-2:N[5]-3:	N[6a](C[6a]N[6a]N[5])(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	C[6a](N[6a]C[6a])2(N[5]C[5]2)	N[6a](C[6a]N[6a]N[5])(C[6a]C[6a]O){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|N<2>,1|N<3>,1|O<2>}	C[6a](N[6a]C[6a])2(N[5]C[5]2){2|O<1>,2|O<2>,3|C<3>}	114.1495	0.029	2	114.1495	0.001	2	114.1495	0.001	2	114.8926	1.650	455	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:S-2:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]S)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(SC[6a])	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]S)(C[6a]N[6a]N){2|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(SC[6a]){1|N<2>,2|C<3>,2|N<3>}	C[6a](N[6a]C[6a])2(NHH){1|C<3>,1|N<3>,1|S<2>}	115.9210	0.000	1	115.9210	0.000	1	115.5586	0.193	8	114.8926	1.650	455	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:S-2:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]S)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SC)	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]S)(C[6a]N[6a]N){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SC){1|C<3>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(NHH){1|S<2>,2|C<3>}	115.1460	0.000	1	115.1460	0.000	1	115.5586	0.193	8	114.8926	1.650	455	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:S-2:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]S)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SC[6a])	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]S)(C[6a]N[6a]N){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SC[6a]){1|N<2>,1|N<3>,1|S<2>}	C[6a](N[6a]C[6a])2(NHH){1|C<3>,2|S<2>}	115.5670	0.459	6	115.5670	0.210	6	115.5586	0.193	8	114.8926	1.650	455	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:S-2:	N[6a]-2:N[6a]-2:N[6]-3:	N[6a](C[6a]N[6a]N[6])(C[6a]C[6a]S)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(SC[6a])	C[6a](N[6a]C[6a])2(N[6]C[6]2)	N[6a](C[6a]N[6a]N[6])(C[6a]C[6a]S){1|Br<1>,1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(SC[6a]){1|H<1>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(N[6]C[6]2){1|C<3>,1|S<2>,2|C<4>,5|H<1>}	117.4912	0.373	4	117.4912	0.139	4	117.4912	0.139	4	114.8926	1.650	455	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	2:2:3:	C[6a]-3:C[6a]-3:	N[5]-3:N[6a]-2:N[6a]-2:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]N[6a]N[5])(C[6a]N[6a]N)	C[6a](N[5]C[5,6a]C[5])(N[6a]C[6a])2	C[6a](N[6a]C[6a])2(NCC)	N[6a](C[6a]N[6a]N[5])(C[6a]N[6a]N){3|C<3>}	C[6a](N[5]C[5,6a]C[5])(N[6a]C[6a])2{1|H<1>,1|N<2>,2|C<3>,3|N<3>}	C[6a](N[6a]C[6a])2(NCC){1|N<2>,2|N<3>}	113.2950	0.334	2	113.2950	0.111	2	113.7190	0.295	4	114.8926	1.650	455	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	2:2:3:	C[6a]-3:C[6a]-3:	N[5]-3:N[6a]-2:N[6a]-2:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]N[6a]N[5])(C[6a]N[6a]N)	C[6a](N[5]C[5]N[5])(N[6a]C[6a])2	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]N[6a]N[5])(C[6a]N[6a]N){1|C<3>,1|C<4>,1|N<2>}	C[6a](N[5]C[5]N[5])(N[6a]C[6a])2{1|C<3>,1|N<2>,1|N<3>,4|C<4>}	C[6a](N[6a]C[6a])2(NHH){1|C<4>,1|N<2>,1|N<3>}	114.1430	0.236	2	114.1430	0.056	2	113.7190	0.295	4	114.8926	1.650	455	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	2:2:3:	C[6a]-3:C[6a]-3:	N[5a]-3:N[6a]-2:N[6a]-2:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]N)	C[6a](N[5a]C[5a,6a]2)(N[6a]C[6a])2	C[6a](N[6a]C[6a])2(NCH)	N[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]N){3|C<3>}	C[6a](N[5a]C[5a,6a]2)(N[6a]C[6a])2{1|N<2>,2|N<3>,4|C<3>}	C[6a](N[6a]C[6a])2(NCH){1|N<2>,2|N<3>}	113.6100	0.915	4	113.6100	0.837	4	113.5886	0.630	5	114.8926	1.650	455	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	2:2:3:	C[6a]-3:C[6a]-3:	N[5a]-3:N[6a]-2:N[6a]-2:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]N)	C[6a](N[5a]C[5a]N[5a])(N[6a]C[6a])2	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]N){1|N<2>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(N[6a]C[6a])2{1|Cl<1>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](N[6a]C[6a])2(NHH){1|Cl<1>,1|N<2>,1|N<3>}	113.5030	0.000	1	113.5030	0.000	1	113.5886	0.630	5	114.8926	1.650	455	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	2:2:4:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:O-2:	N[6a]-2:N[6a]-2:S-4:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]S)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(OC)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(SCOO)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]S){2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(OC){1|H<1>,1|N<3>,1|S<4>,2|N<2>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(SCOO){1|C<3>,1|N<3>,1|O<2>}	116.5050	0.051	2	116.5050	0.003	2	116.5050	0.003	2	115.0716	2.898	22	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	2:2:4:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:S-2:	N[6a]-2:N[6a]-2:C-4:	N[6a](C[6a]C[6a,6a]S)(C[6a]N[6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(SC)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(CCHH)	N[6a](C[6a]C[6a,6a]S)(C[6a]N[6a]C){2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(SC){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(CCHH){1|S<2>,2|C<3>}	116.9440	0.000	1	116.9440	0.000	1	116.9440	0.000	1	115.0716	2.898	22	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	2:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-2:	N[6a]-2:N[6a]-2:S-4:	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC)	C[6a](N[6a]C[6a])2(SCOO)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC){1|C<2>,1|N<2>,1|S<4>}	C[6a](N[6a]C[6a])2(SCOO){1|C<3>,2|C<2>}	114.4455	0.032	2	114.4455	0.001	2	114.4455	0.001	2	115.0716	2.898	22	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	2:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[6a]-2:	N[6a]-2:N[6a]-2:N-4:	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	C[6a](N[6a]C[6a])2(NH3)	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N){3|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{1|N<2>,1|N<3>,1|N<4>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a])2(NH3){1|C<3>,1|N<2>,1|N<3>}	119.2450	0.000	1	119.2450	0.000	1	119.2450	0.000	1	115.0716	2.898	22	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	2:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[6a]-2:	N[6a]-2:N[6a]-2:P-4:	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]P)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	C[6a](N[6a]C[6a])2(PC[6a]2O)	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]P){3|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{1|N<2>,1|P<4>,2|H<1>,3|C<3>}	C[6a](N[6a]C[6a])2(PC[6a]2O){1|N<2>,2|C<3>}	114.0470	0.206	2	114.0470	0.043	2	114.0470	0.043	2	115.0716	2.898	22	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	2:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-2:	N[6a]-2:N[6a]-2:C-4:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]C)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC)	C[6a](N[6a]C[6a])2(CH3)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]C){1|C<3>,1|N<2>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC){1|Cl<1>,1|C<4>,1|N<2>}	C[6a](N[6a]C[6a])2(CH3){1|Cl<1>,1|C<3>,1|O<2>}	116.5430	0.000	1	116.6020	0.007	2	116.9207	0.139	4	115.0716	2.898	22	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	2:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-2:	N[6a]-2:N[6a]-2:C-4:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]C)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC)	C[6a](N[6a]C[6a])2(CH3)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]C){1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC){1|Cl<1>,1|C<4>,1|N<2>}	C[6a](N[6a]C[6a])2(CH3){1|Cl<1>,1|C<3>,1|O<2>}	116.6610	0.000	1	116.6020	0.007	2	116.9207	0.139	4	115.0716	2.898	22	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	2:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-2:	N[6a]-2:N[6a]-2:C-4:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]C)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(OC)	C[6a](N[6a]C[6a])2(CCCN)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]C){1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(OC){1|C<3>,1|C<4>,1|N<2>}	C[6a](N[6a]C[6a])2(CCCN){1|O<2>,2|C<3>}	117.2395	0.049	2	117.2395	0.002	2	116.9207	0.139	4	115.0716	2.898	22	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	2:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-2:	N[6a]-2:N[6a]-2:S-4:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	C[6a](N[6a]C[6a])2(SCOO)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|N<2>,1|O<2>,1|S<4>}	C[6a](N[6a]C[6a])2(SCOO){1|C<3>,2|O<2>}	113.7398	0.189	4	113.7398	0.036	4	113.7398	0.036	4	115.0716	2.898	22	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	2:2:4:	C[6a]-3:C[6a]-3:	N[5]-3:N[6a]-2:N[6a]-2:	N[6a]-2:N[6a]-2:C-4:	N[6a](C[6a]N[6a]N[5])(C[6a]N[6a]C)	C[6a](N[5]C[5]N[5])(N[6a]C[6a])2	C[6a](N[6a]C[6a])2(CN[5a]HH)	N[6a](C[6a]N[6a]N[5])(C[6a]N[6a]C){1|C<3>,1|C<4>,1|N<2>}	C[6a](N[5]C[5]N[5])(N[6a]C[6a])2{1|C<3>,1|N<2>,1|N<3>,4|C<4>}	C[6a](N[6a]C[6a])2(CN[5a]HH){1|N<2>,2|N<3>}	114.0810	0.074	2	114.0810	0.005	2	114.0810	0.005	2	115.0716	2.898	22	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	2:2:4:	C[6a]-3:C[6a]-3:	N[5a]-3:N[6a]-2:N[6a]-2:	N[6a]-2:N[6a]-2:C-4:	N[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]C)	C[6a](N[5a]C[5a,6a]2)(N[6a]C[6a])2	C[6a](N[6a]C[6a])2(CCHH)	N[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]C){3|C<3>}	C[6a](N[5a]C[5a,6a]2)(N[6a]C[6a])2{1|C<4>,1|N<2>,1|N<3>,4|C<3>}	C[6a](N[6a]C[6a])2(CCHH){1|N<2>,2|N<3>}	114.0910	0.161	2	114.0910	0.026	2	114.0910	0.026	2	115.0716	2.898	22	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	2:2:4:	C[6a]-3:C[6a]-3:	N[5a]-3:N[6a]-2:N[6a]-2:	N[6a]-2:N[6a]-2:P-4:	N[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]P)	C[6a](N[5a]C[5a,6a]2)(N[6a]C[6a])2	C[6a](N[6a]C[6a])2(PC[6a]2O)	N[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]P){3|C<3>}	C[6a](N[5a]C[5a,6a]2)(N[6a]C[6a])2{1|N<2>,1|N<3>,1|P<4>,4|C<3>}	C[6a](N[6a]C[6a])2(PC[6a]2O){1|N<2>,2|N<3>}	113.2025	0.835	2	113.2025	0.697	2	113.2025	0.697	2	115.0716	2.898	22	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	2:3:2:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:O-2:	N[6a]-2:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[5a,6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a])(OC)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6a])(C[6a]C[5a,6a]O){4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a])(OC){1|C<4>,1|N<2>,1|S<2>,2|C<3>}	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|O<2>,1|S<2>,2|H<1>,3|C<3>}	117.5680	0.000	1	117.5680	0.000	1	117.5680	0.000	1	117.5680	0.000	1	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[5,6a]-3:N[6a]-2:N-2:	N[6a]-3:N[6a]-2:O-1:	N[6a](C[6a]C[5,6a]N)(C[6a]N[6a]O)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(NH)	C[6a](N[6a]C[5,6a]H)(N[6a]C[6a])(O)	N[6a](C[6a]C[5,6a]N)(C[6a]N[6a]O){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(NH){1|C<3>,1|H<1>,1|O<1>,2|N<3>}	C[6a](N[6a]C[5,6a]H)(N[6a]C[6a])(O){1|C<3>,1|N<2>,1|N<3>}	127.3770	0.000	1	127.3770	0.000	1	127.3770	0.000	1	116.2372	2.879	234	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[5,6a]-3:N[6a]-2:O-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(OC)	C[6a](C[6a]C[5,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(OC){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6a](C[6a]C[5,6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|O<2>}	117.9330	0.000	1	117.9330	0.000	1	117.9330	0.000	1	116.2372	2.879	234	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:O-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a])(OC)	C[6a](C[6a]N[5a,6a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H){1|N<3>,2|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a])(OC){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]N[5a,6a]C[6a])(N[6a]C[6a])(H){1|O<2>,4|C<3>}	116.7780	0.000	1	116.7780	0.000	1	116.7780	0.000	1	116.2372	2.879	234	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6,6a]-3:N[6a]-2:O-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(OC)	C[6a](C[6a]C[6,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(OC){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6,6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|O<2>}	115.9140	0.695	4	115.9140	0.483	4	115.9140	0.483	4	116.2372	2.879	234	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:O-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(OC)	C[6a](C[6a]C[6a,6a]Br)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H){1|Br<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]Br)(N[6a]C[6a])(H){1|O<2>,2|C<3>}	116.8580	0.000	1	116.8580	0.000	1	116.4383	0.134	3	116.2372	2.879	234	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:O-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(OC)	C[6a](C[6a]C[6a,6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H){3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]C)(N[6a]C[6a])(H){1|O<2>,2|C<3>}	116.1880	0.000	1	116.1880	0.000	1	116.4383	0.134	3	116.2372	2.879	234	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:O-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(OC)	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H){3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(OC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a])(H){1|O<2>,4|C<3>}	116.2690	0.000	1	116.2690	0.000	1	116.4383	0.134	3	116.2372	2.879	234	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:N[6a]-2:Cl-1:	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl){1|C<2>,1|C<3>,1|H<1>}	116.1520	0.000	1	116.1520	0.000	1	116.1520	0.000	1	116.2372	2.879	234	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<2>,1|C<3>,1|C<4>}	115.0290	0.025	2	115.3770	0.364	3	115.9290	2.249	12	116.2372	2.879	234	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|Cl<1>,1|C<2>,1|C<3>}	116.0730	0.000	1	115.3770	0.364	3	115.9290	2.249	12	116.2372	2.879	234	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]Cl)(N[6a]C[6a])(CN)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|Cl<1>,1|N<2>,1|N<3>}	C[6a](C[6a]N[6a]Cl)(N[6a]C[6a])(CN){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(H){1|C<2>,1|C<3>}	117.0350	0.000	1	117.0350	0.000	1	115.9290	2.249	12	116.2372	2.879	234	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CC)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<2>,1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CC){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H){1|C<2>,1|C<3>}	118.1075	2.918	2	118.1075	8.516	2	115.9290	2.249	12	116.2372	2.879	234	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CC)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|N<2>,2|H<1>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CC){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<2>,1|C<3>}	115.7103	0.311	3	115.7103	0.097	3	115.9290	2.249	12	116.2372	2.879	234	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CN)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|N<2>,2|H<1>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CN){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<2>,1|C<3>}	114.8787	0.333	3	114.8787	0.111	3	115.9290	2.249	12	116.2372	2.879	234	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:N[6a]-2:Cl-1:	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(NS)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N){1|H<1>,1|N<2>,1|O<2>}	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(NS){1|Cl<1>,1|C<3>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(Cl){1|C<3>,1|N<2>}	117.5680	0.000	1	117.5680	0.000	1	117.5680	0.000	1	116.2372	2.879	234	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:N[6a]-2:F-1:	N[6a](C[6a]C[6a]F)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[5a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(F)	N[6a](C[6a]C[6a]F)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[5a]){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(F){1|C<3>,1|H<1>,1|N<2>}	116.3835	0.144	2	116.3835	0.021	2	116.3835	0.021	2	116.2372	2.879	234	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(NC)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){2|Br<1>,1|C<3>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(NC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|N<2>}	117.7210	0.000	1	117.7210	0.000	1	116.4246	1.341	15	116.2372	2.879	234	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(NC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(NC){1|C<3>,2|N<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>}	117.5820	0.000	1	117.5820	0.000	1	116.4246	1.341	15	116.2372	2.879	234	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|N<2>}	115.5517	0.116	3	115.5517	0.013	3	116.4246	1.341	15	116.2372	2.879	234	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[5a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[5a]){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|N<2>,1|O<2>}	116.5050	0.253	2	116.5050	0.064	2	116.4246	1.341	15	116.2372	2.879	234	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NN){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|Br<1>,1|C<3>,1|N<2>}	115.3750	0.000	1	115.9105	0.574	2	116.4246	1.341	15	116.2372	2.879	234	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NN){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|N<2>}	116.4460	0.000	1	115.9105	0.574	2	116.4246	1.341	15	116.2372	2.879	234	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]N[6a]Br)(N[6a]C[6a])(NH)	C[6a](C[6a]N[6a]Br)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){2|Br<1>,1|N<2>}	C[6a](C[6a]N[6a]Br)(N[6a]C[6a])(NH){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]Br)(N[6a]C[6a])(H){1|C<3>,1|N<2>}	119.6330	0.000	1	119.6330	0.000	1	116.4246	1.341	15	116.2372	2.879	234	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NC)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|N<2>,2|H<1>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NC){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|N<2>}	116.0357	0.572	4	116.0357	0.327	4	116.4246	1.341	15	116.2372	2.879	234	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(NS)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|H<1>,1|N<2>,1|O<2>}	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(NS){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|N<2>}	115.8040	0.000	1	115.8040	0.000	1	116.4246	1.341	15	116.2372	2.879	234	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-2:	N[6a]-3:N[6a]-2:O-1:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(NH)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(NH){1|H<1>,1|N<3>,1|O<1>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(O){1|C<3>,1|H<1>,1|N<2>}	120.9790	0.492	2	120.9790	0.242	2	120.6523	0.441	3	116.2372	2.879	234	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-2:	N[6a]-3:N[6a]-2:O-1:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC){1|H<1>,1|N<3>,1|O<1>}	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O){1|C<3>,1|H<1>,1|N<2>}	119.9990	0.000	1	119.9990	0.000	1	120.6523	0.441	3	116.2372	2.879	234	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:N[6a]-2:Cl-1:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]Cl)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]Cl){1|C<4>,3|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{1|Cl<1>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Cl){1|C<3>,1|N<2>,1|N<3>}	113.5960	0.000	1	113.5960	0.000	1	113.5960	0.000	1	116.2372	2.879	234	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[5,6a]C[6a])(N[6a]C[6a])2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H){1|H<1>,3|C<3>}	C[6a](C[6a]C[5,6a]C[6a])(N[6a]C[6a])2{1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>}	116.3065	0.163	2	116.3065	0.027	2	115.5553	0.267	15	116.2372	2.879	234	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[5,6a]N[6a])(N[6a]C[6a])2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[5,6a]N[6a])(N[6a]C[6a])2{1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>}	115.3710	0.267	4	115.3710	0.071	4	115.5553	0.267	15	116.2372	2.879	234	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a])2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a])2{1|Cl<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>}	115.5365	0.124	2	115.5365	0.015	2	115.5553	0.267	15	116.2372	2.879	234	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H){4|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{1|C<3>,2|C<4>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H){1|C<3>,1|C<4>,3|N<2>}	115.5710	0.061	2	115.5710	0.004	2	115.5553	0.267	15	116.2372	2.879	234	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H){1|C<2>,3|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{1|C<3>,2|C<4>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|N<2>}	116.1250	0.338	2	116.1250	0.114	2	115.5553	0.267	15	116.2372	2.879	234	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{1|C<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|N<2>,2|C<3>}	114.7560	0.283	2	114.7560	0.080	2	115.5553	0.267	15	116.2372	2.879	234	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(N[6a]N[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H){2|C<3>,2|N<2>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(N[6a]N[6a]){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(H){1|N<2>,3|C<3>}	115.2560	0.000	1	115.2560	0.000	1	115.5553	0.267	15	116.2372	2.879	234	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:N[6a]-2:Cl-1:	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(OC)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(OC){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(Cl){1|C<3>,1|H<1>,1|O<2>}	118.7735	0.289	2	118.7735	0.084	2	116.5918	2.904	16	116.2372	2.879	234	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:N[6a]-2:Cl-1:	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl){1|C<3>,1|H<1>,1|O<2>}	116.5320	0.000	1	116.5320	0.000	1	116.5918	2.904	16	116.2372	2.879	234	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:N[6a]-2:Cl-1:	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OH)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(Cl){1|C<3>,1|H<1>,1|O<2>}	117.9492	0.289	6	117.9492	0.083	6	116.5918	2.904	16	116.2372	2.879	234	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:N[6a]-2:Cl-1:	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(OC[6a])	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O){1|N<2>,2|H<1>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(OC[6a]){1|Cl<1>,1|C<3>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(Cl){1|C<3>,1|O<2>}	114.8134	0.240	7	114.8134	0.057	7	116.5918	2.904	16	116.2372	2.879	234	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:N[6a]-2:F-1:	N[6a](C[6a]C[6a]F)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(OC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(F)	N[6a](C[6a]C[6a]F)(C[6a]C[6a]O){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(OC){1|Ir<6>,1|F<1>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(F){1|Ir<6>,1|C<3>,1|O<2>}	115.8440	0.000	1	115.8440	0.000	1	115.9380	0.018	2	116.2372	2.879	234	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:N[6a]-2:F-1:	N[6a](C[6a]C[6a]F)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(OC)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(F)	N[6a](C[6a]C[6a]F)(C[6a]C[6a]O){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(OC){1|C<3>,1|F<1>,1|N<3>}	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(F){1|C<3>,1|N<3>,1|O<2>}	116.0320	0.000	1	116.0320	0.000	1	115.9380	0.018	2	116.2372	2.879	234	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(OC)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|Cl<1>,2|C<3>}	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(OC){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|O<2>}	117.9770	0.000	1	117.9770	0.000	1	116.0044	0.736	32	116.2372	2.879	234	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(OC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(OC){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|O<2>}	117.3245	0.312	2	117.3245	0.097	2	116.0044	0.736	32	116.2372	2.879	234	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC[6a]){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,2|O<2>}	116.3600	0.000	1	116.3600	0.000	1	116.0044	0.736	32	116.2372	2.879	234	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OP[6])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OP[6]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|O<2>}	115.0855	0.374	2	115.0855	0.140	2	116.0044	0.736	32	116.2372	2.879	234	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]Si)(N[6a]C[6a])(OC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|Si<4>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Si)(N[6a]C[6a])(OC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|O<2>,2|C<3>}	116.3300	0.011	2	116.3300	0.000	2	116.0044	0.736	32	116.2372	2.879	234	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]N[6a]C[6])(N[6a]C[6a])(OC[6a])	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]C[6])(N[6a]C[6a])(OC[6a]){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|O<2>}	115.4250	0.492	2	115.4250	0.242	2	116.0044	0.736	32	116.2372	2.879	234	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]N[6a]Cl)(N[6a]C[6a])(OC[6a])	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|Cl<1>,1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]Cl)(N[6a]C[6a])(OC[6a]){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|O<2>}	116.4550	0.370	5	116.4550	0.137	5	116.0044	0.736	32	116.2372	2.879	234	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(OC[6])	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|N<2>,2|H<1>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(OC[6]){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|O<2>}	114.8270	0.050	3	114.8270	0.003	3	116.0044	0.736	32	116.2372	2.879	234	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(OC[6a])	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|N<2>,2|H<1>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(OC[6a]){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|O<2>}	115.1445	0.191	4	115.1445	0.037	4	116.0044	0.736	32	116.2372	2.879	234	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(ON)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|N<2>,2|H<1>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(ON){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|O<2>}	115.4635	0.237	2	115.4635	0.056	2	116.0044	0.736	32	116.2372	2.879	234	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(OC)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,1|N<2>,1|N<3>}	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(OC){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|O<2>}	116.3250	0.000	1	116.1820	0.041	2	116.0044	0.736	32	116.2372	2.879	234	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(OC)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,2|N<2>}	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(OC){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|O<2>}	116.0390	0.000	1	116.1820	0.041	2	116.0044	0.736	32	116.2372	2.879	234	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(OC[6a])	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,1|N<2>,1|N<3>}	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(OC[6a]){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|O<2>}	115.6690	0.000	1	115.6690	0.000	1	116.0044	0.736	32	116.2372	2.879	234	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(OC[6])	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,1|N<2>,1|O<2>}	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(OC[6]){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|O<2>}	116.9310	0.000	1	116.9310	0.000	1	116.0044	0.736	32	116.2372	2.879	234	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(OC[6a])	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,1|N<2>,1|O<2>}	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(OC[6a]){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|O<2>}	116.4215	0.620	2	116.4215	0.385	2	116.0044	0.736	32	116.2372	2.879	234	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(OSi)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,1|N<2>,1|O<2>}	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(OSi){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|O<2>}	116.7030	0.205	2	116.7030	0.042	2	116.0044	0.736	32	116.2372	2.879	234	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-2:	N[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OH)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OH){1|H<1>,1|N<3>,1|O<1>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|O<1>,1|O<2>}	116.2820	0.686	3	116.2820	0.470	3	117.0034	1.220	5	116.2372	2.879	234	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-2:	N[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OMg)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OMg){1|H<1>,1|N<3>,1|O<1>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|O<1>,1|O<2>}	117.9550	0.000	1	117.9550	0.000	1	117.0034	1.220	5	116.2372	2.879	234	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-2:	N[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OMn)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OMn){1|H<1>,1|N<3>,1|O<1>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|O<1>,1|O<2>}	118.2160	0.000	1	118.2160	0.000	1	117.0034	1.220	5	116.2372	2.879	234	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-2:	N[6a]-3:N[6a]-2:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OSi)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OSi){1|H<1>,1|N<3>,1|O<1>}	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O){1|C<3>,1|H<1>,1|O<2>}	118.9135	0.285	2	118.9135	0.081	2	118.9135	0.081	2	116.2372	2.879	234	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]O[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(O[6a]C[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]O[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(O[6a]C[6a]){1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,1|O<1>,1|O<2>}	116.2090	0.000	1	116.2090	0.000	1	116.2090	0.000	1	116.2372	2.879	234	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SC[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SC[6a]){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|S<2>,2|C<3>}	117.0900	0.000	1	117.0900	0.000	1	116.0953	0.802	43	116.2372	2.879	234	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|S<2>,2|C<3>}	116.5400	0.000	1	116.5400	0.000	1	116.0953	0.802	43	116.2372	2.879	234	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(SC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|C<3>,1|H<1>,1|I<1>}	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(SC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|S<2>,2|C<3>}	117.7730	0.000	1	117.7730	0.000	1	116.0953	0.802	43	116.2372	2.879	234	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]N[6a]Cl)(N[6a]C[6a])(SC[5a])	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|Cl<1>,1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]Cl)(N[6a]C[6a])(SC[5a]){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|S<2>}	116.7300	0.000	1	116.7300	0.000	1	116.0953	0.802	43	116.2372	2.879	234	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(SC)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|N<2>,2|H<1>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(SC){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|S<2>}	115.6275	0.216	2	115.6275	0.047	2	116.0953	0.802	43	116.2372	2.879	234	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(SC[6])	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|N<2>,2|H<1>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(SC[6]){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|S<2>}	116.1990	0.000	1	116.1990	0.000	1	116.0953	0.802	43	116.2372	2.879	234	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(SC[6a])	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|N<2>,2|H<1>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(SC[6a]){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|S<2>}	115.4264	0.566	5	115.4264	0.320	5	116.0953	0.802	43	116.2372	2.879	234	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(SC[6])	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|H<1>,1|N<2>,1|N<3>}	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(SC[6]){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|S<2>}	116.9440	0.000	1	116.9440	0.000	1	116.0953	0.802	43	116.2372	2.879	234	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]N[6a]S)(N[6a]C[6a])(SFe)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|H<1>,1|N<2>,1|S<2>}	C[6a](C[6a]N[6a]S)(N[6a]C[6a])(SFe){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|S<2>}	115.9955	0.335	4	115.9955	0.113	4	116.0953	0.802	43	116.2372	2.879	234	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]N[6a]S)(N[6a]C[6a])(SIr)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|H<1>,1|N<2>,1|S<2>}	C[6a](C[6a]N[6a]S)(N[6a]C[6a])(SIr){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|S<2>}	115.6545	0.453	4	115.6545	0.205	4	116.0953	0.802	43	116.2372	2.879	234	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]N[6a]S)(N[6a]C[6a])(SMo)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|H<1>,1|N<2>,1|S<2>}	C[6a](C[6a]N[6a]S)(N[6a]C[6a])(SMo){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|S<2>}	116.6352	0.344	4	116.6352	0.119	4	116.0953	0.802	43	116.2372	2.879	234	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]N[6a]S)(N[6a]C[6a])(SNi)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|H<1>,1|N<2>,1|S<2>}	C[6a](C[6a]N[6a]S)(N[6a]C[6a])(SNi){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|S<2>}	116.3524	1.206	12	116.3524	1.454	12	116.0953	0.802	43	116.2372	2.879	234	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]N[6a]S)(N[6a]C[6a])(SPd)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|H<1>,1|N<2>,1|S<2>}	C[6a](C[6a]N[6a]S)(N[6a]C[6a])(SPd){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|S<2>}	115.8080	0.208	2	115.8080	0.043	2	116.0953	0.802	43	116.2372	2.879	234	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]N[6a]S)(N[6a]C[6a])(SPt)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|H<1>,1|N<2>,1|S<2>}	C[6a](C[6a]N[6a]S)(N[6a]C[6a])(SPt){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|S<2>}	115.1580	1.141	2	115.1580	1.302	2	116.0953	0.802	43	116.2372	2.879	234	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]N[6a]S)(N[6a]C[6a])(SRh)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|H<1>,1|N<2>,1|S<3>}	C[6a](C[6a]N[6a]S)(N[6a]C[6a])(SRh){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|S<2>}	115.5675	0.801	2	115.5675	0.642	2	116.0953	0.802	43	116.2372	2.879	234	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:S[6a]-2:	C[6a]-3:N[6a]-2:O-1:	N[6a](C[6a]C[6a]S[6a])(C[6a]C[6a]O)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(S[6a]C[6a])	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]S[6a])(C[6a]C[6a]O){1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(S[6a]C[6a]){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(O){1|C<3>,1|H<1>,1|S<2>}	124.6670	0.098	2	124.6670	0.010	2	124.6670	0.010	2	116.2372	2.879	234	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:Se-2:	C[6a]-3:N[6a]-2:Br-1:	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]Se)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(SeC[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]Se){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(SeC[6a]){1|Br<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Br){1|Se<2>,2|C<3>}	117.7405	0.343	2	117.7405	0.118	2	117.5015	2.243	6	116.2372	2.879	234	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:Se-2:	C[6a]-3:N[6a]-2:Br-1:	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]Se)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(SeSe)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]Se){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(SeSe){1|Br<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Br){1|Se<2>,2|C<3>}	117.3820	1.908	4	117.3820	3.642	4	117.5015	2.243	6	116.2372	2.879	234	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:Se-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SeC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Se)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SeC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|Se<2>,1|C<3>,1|N<3>}	114.4140	0.049	2	114.4140	0.002	2	114.9817	0.776	6	116.2372	2.879	234	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:Se-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SeSe)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Se)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SeSe){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|Se<2>,1|C<3>,1|C<4>}	116.0850	0.222	2	116.0850	0.049	2	114.9817	0.776	6	116.2372	2.879	234	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:Se-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SeSe)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Se)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SeSe){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|Se<2>,1|C<3>,1|N<3>}	114.4460	0.419	2	114.4460	0.175	2	114.9817	0.776	6	116.2372	2.879	234	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:1:	C[6a]-3:C[6a]-3:	N[5]-3:N[6a]-2:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)	C[6a](N[5]C[5,6]C[5])(N[6a]C[6a])2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	C[6a](N[5]C[5,6]C[5])(N[6a]C[6a])2{1|C<3>,1|O<1>,1|S<2>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,1|N<2>,1|N<3>}	115.1715	0.036	2	115.1715	0.001	2	115.3122	0.129	24	116.2372	2.879	234	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:1:	C[6a]-3:C[6a]-3:	N[5]-3:N[6a]-2:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)	C[6a](N[5]C[5,6a]C[5])(N[6a]C[6a])2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	C[6a](N[5]C[5,6a]C[5])(N[6a]C[6a])2{1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,1|N<2>,1|N<3>}	115.3624	0.374	12	115.3250	0.139	22	115.3122	0.129	24	116.2372	2.879	234	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:1:	C[6a]-3:C[6a]-3:	N[5]-3:N[6a]-2:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)	C[6a](N[5]C[5,6a]C[5])(N[6a]C[6a])2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	C[6a](N[5]C[5,6a]C[5])(N[6a]C[6a])2{1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,1|N<2>,1|N<3>}	115.3180	0.366	2	115.3250	0.139	22	115.3122	0.129	24	116.2372	2.879	234	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:1:	C[6a]-3:C[6a]-3:	N[5]-3:N[6a]-2:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)	C[6a](N[5]C[5,6a]C[5])(N[6a]C[6a])2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	C[6a](N[5]C[5,6a]C[5])(N[6a]C[6a])2{2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,1|N<2>,1|N<3>}	115.3800	0.423	6	115.3250	0.139	22	115.3122	0.129	24	116.2372	2.879	234	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:1:	C[6a]-3:C[6a]-3:	N[5]-3:N[6a]-2:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)	C[6a](N[5]C[5,6a]C[5])(N[6a]C[6a])2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H){1|H<1>,3|C<3>}	C[6a](N[5]C[5,6a]C[5])(N[6a]C[6a])2{1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,1|N<2>,1|N<3>}	114.9425	0.152	2	115.3250	0.139	22	115.3122	0.129	24	116.2372	2.879	234	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:1:	C[6a]-3:C[6a]-3:	N[5a,6a]-3:N[6a]-2:O-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]N[5a,6a]O)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(OC)	C[6a](C[6a]C[5a,6a]O)(N[6a]C[6a])(H)	N[6a](C[6a]N[5a,6a]O)(C[6a]C[6a]H){1|C<3>,1|N<2>,1|O<2>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(OC){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[5a,6a]O)(N[6a]C[6a])(H){1|N<2>,1|N<3>,1|O<2>}	119.6630	0.585	2	119.6630	0.343	2	119.6630	0.343	2	116.2372	2.879	234	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:1:	C[6a]-3:C[6a]-3:	N[5a,6a]-3:N[6a]-2:S-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]N[5a,6a]S)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(SC)	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]N[5a,6a]S)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<2>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(SC){1|C<3>,1|H<1>,2|N<2>}	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(H){1|N<2>,1|N<3>,1|S<2>}	118.7580	0.000	1	118.7580	0.000	1	118.7580	0.000	1	116.2372	2.879	234	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:1:	C[6a]-3:C[6a]-3:	N[5a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)	C[6a](N[5a]C[5a,6]C[5a])(N[6a]C[6a])2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H){1|H<1>,3|C<3>}	C[6a](N[5a]C[5a,6]C[5a])(N[6a]C[6a])2{1|C<2>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,1|N<2>,1|N<3>}	114.6440	0.238	2	114.6440	0.056	2	115.2544	0.333	27	116.2372	2.879	234	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:1:	C[6a]-3:C[6a]-3:	N[5a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)	C[6a](N[5a]C[5a,6a]C[5a,6])(N[6a]C[6a])2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H){1|H<1>,3|C<3>}	C[6a](N[5a]C[5a,6a]C[5a,6])(N[6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,1|N<2>,1|N<3>}	115.1828	0.377	6	115.1828	0.142	6	115.2544	0.333	27	116.2372	2.879	234	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:1:	C[6a]-3:C[6a]-3:	N[5a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)	C[6a](N[5a]C[5a,6a]C[5a])(N[6a]C[6a])2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H){1|H<1>,3|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(N[6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,1|N<2>,1|N<3>}	115.2022	0.195	9	115.2979	0.412	17	115.2544	0.333	27	116.2372	2.879	234	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:1:	C[6a]-3:C[6a]-3:	N[5a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)	C[6a](N[5a]C[5a,6a]C[5a])(N[6a]C[6a])2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H){1|H<1>,3|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(N[6a]C[6a])2{1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,1|N<2>,1|N<3>}	115.4442	1.083	6	115.2979	0.412	17	115.2544	0.333	27	116.2372	2.879	234	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:1:	C[6a]-3:C[6a]-3:	N[5a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)	C[6a](N[5a]C[5a,6a]C[5a])(N[6a]C[6a])2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H){1|H<1>,3|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(N[6a]C[6a])2{1|S<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,1|N<2>,1|N<3>}	115.2900	0.461	2	115.2979	0.412	17	115.2544	0.333	27	116.2372	2.879	234	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:1:	C[6a]-3:C[6a]-3:	N[5a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)	C[6a](N[5a]C[5a]N[5a])(N[6a]C[6a])2	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	N[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H){1|Br<1>,1|N<2>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(N[6a]C[6a])2{1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|H<1>,1|N<2>,1|N<3>}	115.7095	0.281	2	115.7095	0.079	2	115.2544	0.333	27	116.2372	2.879	234	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:1:	C[6a]-3:C[6a]-3:	N[5a]-3:N[6a]-2:N[6a]-2:	N[6a]-3:N[6a]-2:O-1:	N[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]O)	C[6a](N[5a]C[5a]N[5a])(N[6a]C[6a])2	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(O)	N[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]O){1|H<1>,1|N<2>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(N[6a]C[6a])2{1|O<1>,2|C<3>,3|N<3>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(O){1|N<2>,2|N<3>}	118.0540	0.000	1	118.0540	0.000	1	118.0540	0.000	1	116.2372	2.879	234	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:1:	C[6a]-3:C[6a]-3:	N[6a,6a]-3:N[6a]-2:S-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]N[6a,6a]S)(C[6a]C[6a]H)	C[6a](N[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(SC)	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]N[6a,6a]S)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](N[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(SC){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(H){1|N<2>,1|N<3>,1|S<2>}	118.5930	0.000	1	118.5930	0.000	1	118.5930	0.000	1	116.2372	2.879	234	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:1:	C[6a]-3:C[6a]-3:	N[6a]-3:N[6a]-2:S-2:	C[6a]-3:N[6a]-2:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(SC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S){1|C<3>,1|C<4>,1|H<1>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(SC){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(O){1|H<1>,1|N<3>,1|S<2>}	120.3020	0.000	1	120.3020	0.000	1	120.3020	0.000	1	116.2372	2.879	234	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:1:	C[6a]-3:C[6a]-3:	P[6,6]-3:N[6a]-2:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]P[6,6]N[6a])(C[6a]C[6a]H)	C[6a](P[6,6]C[3x6]2)(N[6a]C[6a])2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]P[6,6]N[6a])(C[6a]C[6a]H){1|C<3>,1|H<1>,2|C<4>}	C[6a](P[6,6]C[3x6]2)(N[6a]C[6a])2{1|C<3>,2|H<1>,2|O<2>,4|C<4>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,1|N<2>,1|P<3>}	116.1470	0.116	2	116.1470	0.013	2	116.1470	0.013	2	116.2372	2.879	234	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:2:	C[6a]-3:C[6a]-3:	C[5]-3:N[6a]-2:N[6a]-2:	C[5]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a]N[6a]C[5])2	C[6a](C[5]C[5]S[5])(N[6a]C[6a])2	C[6a](C[5]C[5]S[5])(N[6a]C[6a])2	N[6a](C[6a]N[6a]C[5])2{2|S<2>,3|C<3>}	C[6a](C[5]C[5]S[5])(N[6a]C[6a])2{1|H<1>,1|N<2>,1|N<3>,1|S<2>,2|C<3>}	C[6a](C[5]C[5]S[5])(N[6a]C[6a])2{1|H<1>,1|N<2>,1|N<3>,1|S<2>,2|C<3>}	114.1410	0.000	1	114.1410	0.000	1	114.1410	0.000	1	115.5836	2.279	400	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:2:	C[6a]-3:C[6a]-3:	C[5a]-3:N[6a]-2:N[6a]-2:	C[5a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a]C[5a]N[6a])2	C[6a](C[5a]C[5a]2)(N[6a]C[6a])2	C[6a](C[5a]C[5a]2)(N[6a]C[6a])2	N[6a](C[6a]C[5a]N[6a])2{5|C<3>}	C[6a](C[5a]C[5a]2)(N[6a]C[6a])2{1|N<2>,1|N<3>,1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]2)(N[6a]C[6a])2{1|N<2>,1|N<3>,1|S<2>,2|C<3>,2|H<1>}	114.2350	0.000	1	114.2350	0.000	1	114.2350	0.000	1	115.5836	2.279	400	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:2:	C[6a]-3:C[6a]-3:	C[5a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:N[6a]-2:S-2:	N[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]S)	C[6a](C[5a]C[5a]O[5a])(N[6a]C[6a])2	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(SC)	N[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]S){1|N<3>,1|O<2>,2|C<3>}	C[6a](C[5a]C[5a]O[5a])(N[6a]C[6a])2{1|H<1>,1|N<3>,1|S<2>,3|C<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(SC){1|C<3>,1|N<2>,1|N<3>}	116.7360	0.000	1	116.7360	0.000	1	116.7360	0.000	1	115.5836	2.279	400	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:2:	C[6a]-3:C[6a]-3:	C[6]-3:N[6a]-2:N[6a]-2:	C[6]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a]N[6a]C[6])2	C[6a](C[6]C[6]N[6])(N[6a]C[6a])2	C[6a](C[6]C[6]N[6])(N[6a]C[6a])2	N[6a](C[6a]N[6a]C[6])2{2|N<3>,3|C<3>}	C[6a](C[6]C[6]N[6])(N[6a]C[6a])2{1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6]C[6]N[6])(N[6a]C[6a])2{1|N<2>,1|N<3>,2|H<1>,3|C<3>}	112.3325	0.221	2	113.8594	0.878	11	113.8594	0.878	11	115.5836	2.279	400	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:2:	C[6a]-3:C[6a]-3:	C[6]-3:N[6a]-2:N[6a]-2:	C[6]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a]N[6a]C[6])2	C[6a](C[6]C[6]N[6])(N[6a]C[6a])2	C[6a](C[6]C[6]N[6])(N[6a]C[6a])2	N[6a](C[6a]N[6a]C[6])2{2|N<3>,3|C<3>}	C[6a](C[6]C[6]N[6])(N[6a]C[6a])2{1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6]C[6]N[6])(N[6a]C[6a])2{1|N<2>,2|H<1>,4|C<3>}	114.1987	0.616	9	113.8594	0.878	11	113.8594	0.878	11	115.5836	2.279	400	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:O-2:	C[6a]-3:N[6a]-2:C-2:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]2)(N[6a]C[6a])(OC)	C[6a](C[6a]C[6a,6a]C)(N[6a]C[6a])(CC)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C){1|C<4>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]2)(N[6a]C[6a])(OC){1|C<2>,4|C<3>}	C[6a](C[6a]C[6a,6a]C)(N[6a]C[6a])(CC){1|O<2>,2|C<3>}	117.7530	0.000	1	117.7530	0.000	1	117.7530	0.000	1	115.5836	2.279	400	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:O-2:	C[6a]-3:N[6a]-2:O-2:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(OC)	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a])(OH)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O){3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(OC){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a])(OH){1|O<2>,4|C<3>}	117.4230	0.000	1	117.4230	0.000	1	117.1615	0.137	2	115.5836	2.279	400	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:O-2:	C[6a]-3:N[6a]-2:O-2:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(OC)	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(OH)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(OC){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(OH){1|O<2>,2|C<3>}	116.9000	0.000	1	116.9000	0.000	1	117.1615	0.137	2	115.5836	2.279	400	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:N[6a]-2:C-2:	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(CN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN)	N[6a](C[6a]C[6a]C)2{1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(CN){1|C<2>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN){1|C<2>,1|C<3>,1|H<1>}	116.5697	0.220	4	116.5697	0.048	4	116.5823	1.934	56	115.5836	2.279	400	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:N[6a]-2:C-2:	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC)	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC){1|C<2>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC){1|C<2>,1|C<3>,1|C<4>}	117.0520	0.482	2	117.2543	0.989	33	116.5823	1.934	56	115.5836	2.279	400	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:N[6a]-2:C-2:	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC)	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC){1|C<2>,1|C<3>,1|H<1>}	117.4676	0.932	27	117.2543	0.989	33	116.5823	1.934	56	115.5836	2.279	400	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:N[6a]-2:C-2:	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC)	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC){1|C<2>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC){1|C<2>,1|C<3>,1|O<2>}	115.9158	0.339	4	117.2543	0.989	33	116.5823	1.934	56	115.5836	2.279	400	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:N[6a]-2:C-2:	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CN)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CN)	N[6a](C[6a]C[6a]C)2{1|N<2>,2|C<2>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CN){1|C<2>,1|C<3>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CN){1|C<2>,1|C<3>}	114.9187	1.238	10	114.9187	1.532	10	116.5823	1.934	56	115.5836	2.279	400	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:N[6a]-2:C-2:	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CC)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CC)	N[6a](C[6a]C[6a]C)2{1|N<2>,2|H<1>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CC){1|C<2>,1|C<3>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CC){1|C<2>,1|C<3>}	115.9351	1.451	8	115.9351	2.104	8	116.5823	1.934	56	115.5836	2.279	400	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:N[6a]-2:C-2:	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]N[6a]S)(N[6a]C[6a])(CN)	C[6a](C[6a]N[6a]S)(N[6a]C[6a])(CN)	N[6a](C[6a]C[6a]C)2{1|N<2>,2|S<2>}	C[6a](C[6a]N[6a]S)(N[6a]C[6a])(CN){1|C<2>,1|C<3>}	C[6a](C[6a]N[6a]S)(N[6a]C[6a])(CN){1|C<2>,1|C<3>}	116.2720	0.000	1	116.2720	0.000	1	116.5823	1.934	56	115.5836	2.279	400	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:N[6a]-2:O-2:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CN)	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O){1|C<2>,1|N<2>,1|O<2>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CN){1|C<3>,1|O<2>}	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(OC){1|C<2>,1|C<3>}	116.2200	0.000	1	116.2200	0.000	1	116.2200	0.000	1	115.5836	2.279	400	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:N[6a]-2:N-2:	N[6a](C[6a]C[6a]N)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC)	N[6a](C[6a]C[6a]N)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC){1|C<3>,1|H<1>,1|N<2>}	118.7470	0.000	1	118.7470	0.000	1	118.5157	13.970	4	115.5836	2.279	400	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:N[6a]-2:N-2:	N[6a](C[6a]C[6a]N)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[5a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[5a])	N[6a](C[6a]C[6a]N)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[5a]){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[5a]){1|C<3>,1|H<1>,1|N<2>}	115.8020	0.355	2	115.8020	0.126	2	118.5157	13.970	4	115.5836	2.279	400	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:N[6a]-2:N-2:	N[6a](C[6a]C[6a]N)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NH)	N[6a](C[6a]C[6a]N)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NH){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NH){1|C<3>,1|H<1>,1|N<2>}	123.7120	0.000	1	123.7120	0.000	1	118.5157	13.970	4	115.5836	2.279	400	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-2:	N[6a]-3:N[6a]-2:O-2:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NP)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NP){1|N<3>,1|O<1>,1|O<2>}	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(OC){1|C<3>,1|N<2>,1|O<1>}	117.0880	0.000	1	117.0880	0.000	1	117.0880	0.000	1	115.5836	2.279	400	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-2:	N[6a]-3:N[6a]-2:S-2:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NP)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(SC)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NP){1|N<3>,1|O<1>,1|S<2>}	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(SC){1|C<3>,1|N<2>,1|O<1>}	117.5090	0.000	1	117.5090	0.000	1	117.5090	0.000	1	115.5836	2.279	400	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C[6])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])2	C[6a](C[6]C[6]N[6])(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C[6]){1|N<2>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])2{1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6]C[6]N[6])(N[6a]C[6a])2{1|N<2>,2|H<1>,4|C<3>}	114.6720	0.223	2	114.6720	0.050	2	114.6720	0.050	2	115.5836	2.279	400	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:N[6a]-2:C-2:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CN)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C){1|C<2>,3|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{1|C<2>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CN){1|C<3>,1|N<2>,1|N<3>}	114.7070	0.000	1	114.7070	0.000	1	115.8653	1.011	3	115.5836	2.279	400	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:N[6a]-2:C-2:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	C[6a](C[6a]C[6a]Si)(N[6a]C[6a])(CC)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C){1|Si<4>,3|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{1|C<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]Si)(N[6a]C[6a])(CC){1|N<2>,2|C<3>}	116.4445	0.093	2	116.4445	0.009	2	115.8653	1.011	3	115.5836	2.279	400	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:N[6a]-2:N-2:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N){1|C<4>,3|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC){1|N<2>,2|C<3>}	117.2715	0.664	2	117.2715	0.441	2	117.2715	0.441	2	115.5836	2.279	400	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a]C[6a]N[6a])2	C[6a](C[6a]C[6,6a]C[6a])(N[6a]C[6a])2	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])2{5|C<3>}	C[6a](C[6a]C[6,6a]C[6a])(N[6a]C[6a])2{1|H<1>,1|N<2>,1|O<2>,4|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{1|N<2>,2|H<1>,4|C<3>}	114.8190	0.137	2	114.8190	0.019	2	115.0359	0.438	168	115.5836	2.279	400	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a]C[6a]N[6a])2	C[6a](C[6a]C[6a,6a]2)(N[6a]C[6a])2	C[6a](C[6a]C[6a,6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])2{5|C<3>}	C[6a](C[6a]C[6a,6a]2)(N[6a]C[6a])2{1|N<2>,1|O<2>,5|C<3>}	C[6a](C[6a]C[6a,6a]2)(N[6a]C[6a])2{1|N<2>,1|O<2>,5|C<3>}	114.9410	0.000	1	114.9410	0.000	1	115.0359	0.438	168	115.5836	2.279	400	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a]C[6a]N[6a])2	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(N[6a]N[6a])	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(N[6a]N[6a])	N[6a](C[6a]C[6a]N[6a])2{1|N<2>,4|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(N[6a]N[6a]){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(N[6a]N[6a]){1|N<2>,2|H<1>,3|C<3>}	114.9130	0.000	1	114.9130	0.000	1	115.0359	0.438	168	115.5836	2.279	400	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a]C[6a]N[6a])2	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])2{5|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{1|C<4>,1|H<1>,1|N<2>,4|C<3>}	115.4222	0.656	5	115.0919	0.487	140	115.0359	0.438	168	115.5836	2.279	400	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a]C[6a]N[6a])2	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])2{5|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{1|C<4>,1|N<2>,2|H<1>,3|C<3>}	115.3795	0.183	2	115.0919	0.487	140	115.0359	0.438	168	115.5836	2.279	400	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a]C[6a]N[6a])2	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])2{5|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{1|N<2>,2|H<1>,4|C<3>}	114.7180	0.392	2	115.0919	0.487	140	115.0359	0.438	168	115.5836	2.279	400	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a]C[6a]N[6a])2	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])2{5|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{1|H<1>,1|N<2>,1|P<4>,4|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{1|H<1>,1|N<2>,1|P<4>,4|C<3>}	114.8717	0.264	3	115.0919	0.487	140	115.0359	0.438	168	115.5836	2.279	400	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a]C[6a]N[6a])2	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])2{5|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{1|N<2>,1|N<3>,2|H<1>,3|C<3>}	114.0585	0.042	2	115.0919	0.487	140	115.0359	0.438	168	115.5836	2.279	400	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a]C[6a]N[6a])2	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])2{5|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{1|N<2>,1|P<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{1|N<2>,1|P<4>,2|H<1>,3|C<3>}	116.1480	0.000	1	115.0919	0.487	140	115.0359	0.438	168	115.5836	2.279	400	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a]C[6a]N[6a])2	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])2{5|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{1|N<2>,2|H<1>,4|C<3>}	115.0934	0.703	125	115.0919	0.487	140	115.0359	0.438	168	115.5836	2.279	400	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a]C[6a]N[6a])2	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])2	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])2{1|N<2>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])2{1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{1|N<2>,2|H<1>,4|C<3>}	115.2105	0.722	2	115.2105	0.521	2	115.0359	0.438	168	115.5836	2.279	400	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a]C[6a]N[6a])2	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])2	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])2{2|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])2{1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])2{1|H<1>,1|N<2>,4|C<3>}	114.6935	0.294	22	114.6935	0.087	22	115.0359	0.438	168	115.5836	2.279	400	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:N[6a]-2:S-2:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]S)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SC)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]S){1|C<4>,3|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{1|C<4>,1|S<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SC){1|C<3>,1|C<4>,1|N<2>}	116.5350	0.216	3	116.8625	0.460	4	116.8625	0.460	4	115.5836	2.279	400	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:N[6a]-2:S-2:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]S)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SC)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]S){4|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{1|C<4>,1|S<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SC){1|C<3>,1|C<4>,1|N<2>}	117.8450	0.000	1	116.8625	0.460	4	116.8625	0.460	4	115.5836	2.279	400	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:N[6a]-2:N-2:	N[6a](C[6a]C[6a]N)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NP)	N[6a](C[6a]C[6a]N)(C[6a]C[6a]O){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NP){1|C<3>,1|H<1>,1|O<2>}	118.9720	0.000	1	118.9720	0.000	1	118.9720	0.000	1	115.5836	2.279	400	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|C<3>,1|N<2>,1|O<2>}	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a])2{2|O<2>,5|C<3>}	115.3800	0.621	2	115.3800	0.385	2	115.8082	0.141	13	115.5836	2.279	400	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC[6a])	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC[6a]){1|C<3>,1|N<2>,1|O<2>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{2|H<1>,2|O<2>,3|C<3>}	115.9283	0.274	10	115.9283	0.075	10	115.8082	0.141	13	115.5836	2.279	400	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(OC)	C[6a](C[6a]N[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O){1|C<3>,1|O<2>,2|N<2>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(OC){1|C<3>,1|N<2>,1|N<3>}	C[6a](C[6a]N[6a]2)(N[6a]C[6a])2{1|N<3>,1|O<2>,3|C<3>}	115.4640	0.000	1	115.4640	0.000	1	115.8082	0.141	13	115.5836	2.279	400	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:N[6a]-2:O-2:	N[6a](C[6a]C[6a]O)2	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(OC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]O)2{1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(OC){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|C<3>,1|H<1>,1|O<2>}	118.5585	0.150	4	117.7668	0.750	8	116.5291	1.859	73	115.5836	2.279	400	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:N[6a]-2:O-2:	N[6a](C[6a]C[6a]O)2	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(OC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]O)2{1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(OC){1|O<2>,1|P<4>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|C<3>,1|O<2>,1|P<4>}	116.9750	0.236	4	117.7668	0.750	8	116.5291	1.859	73	115.5836	2.279	400	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:N[6a]-2:O-2:	N[6a](C[6a]C[6a]O)2	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(OC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]O)2{1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(OC){1|C<3>,1|O<2>,1|P<4>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|C<3>,1|O<2>,1|P<4>}	117.4605	0.760	2	117.4605	0.578	2	116.5291	1.859	73	115.5836	2.279	400	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:N[6a]-2:O-2:	N[6a](C[6a]C[6a]O)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC[6a])	N[6a](C[6a]C[6a]O)2{1|C<3>,2|C<2>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC[6a]){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC[6a]){1|C<3>,1|H<1>,1|O<2>}	117.8058	0.293	5	117.8058	0.086	5	116.5291	1.859	73	115.5836	2.279	400	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:N[6a]-2:O-2:	N[6a](C[6a]C[6a]O)2	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(OC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]O)2{1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(OC){1|Ir<6>,1|N<3>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|Ir<6>,1|C<3>,1|O<2>}	116.6945	0.393	10	116.6945	0.154	10	116.5291	1.859	73	115.5836	2.279	400	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:N[6a]-2:O-2:	N[6a](C[6a]C[6a]O)2	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(OC[6a])	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(OC[6a])	N[6a](C[6a]C[6a]O)2{2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(OC[6a]){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(OC[6a]){1|C<3>,1|H<1>,1|O<2>}	119.3560	0.177	2	119.3560	0.031	2	116.5291	1.859	73	115.5836	2.279	400	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:N[6a]-2:O-2:	N[6a](C[6a]C[6a]O)2	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(OC)	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]O)2{1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(OC){1|C<3>,1|C<4>,1|O<2>}	119.2410	0.562	3	119.2410	0.315	3	116.5291	1.859	73	115.5836	2.279	400	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:N[6a]-2:O-2:	N[6a](C[6a]C[6a]O)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OP)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OP)	N[6a](C[6a]C[6a]O)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OP){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OP){1|C<3>,1|H<1>,1|O<2>}	117.5590	0.000	1	117.5590	0.000	1	116.5291	1.859	73	115.5836	2.279	400	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:N[6a]-2:O-2:	N[6a](C[6a]C[6a]O)2	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(OC[6])	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(OC[6])	N[6a](C[6a]C[6a]O)2{1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(OC[6]){1|C<2>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(OC[6]){1|C<2>,1|C<3>,1|O<2>}	119.3430	0.000	1	119.3430	0.000	1	116.5291	1.859	73	115.5836	2.279	400	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:N[6a]-2:O-2:	N[6a](C[6a]C[6a]O)2	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(OC[6])	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(OC[6])	N[6a](C[6a]C[6a]O)2{1|N<2>,2|H<1>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(OC[6]){1|C<3>,1|O<2>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(OC[6]){1|C<3>,1|O<2>}	114.8140	0.000	1	114.8140	0.000	1	116.5291	1.859	73	115.5836	2.279	400	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:N[6a]-2:O-2:	N[6a](C[6a]C[6a]O)2	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(OC[6a])	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]O)2{1|N<2>,2|H<1>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(OC[6a]){1|C<3>,1|O<2>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(OC){1|C<3>,1|O<2>}	116.2967	0.792	10	116.2967	0.628	10	116.5291	1.859	73	115.5836	2.279	400	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:N[6a]-2:O-2:	N[6a](C[6a]C[6a]O)2	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(OC[6a])	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(OC[6a])	N[6a](C[6a]C[6a]O)2{1|N<2>,2|H<1>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(OC[6a]){1|C<3>,1|O<2>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(OC[6a]){1|C<3>,1|O<2>}	115.4158	0.584	30	115.4158	0.341	30	116.5291	1.859	73	115.5836	2.279	400	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-2:	N[6a]-3:N[6a]-2:O-2:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC){1|N<3>,1|O<1>,1|O<2>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(OC){1|C<3>,1|O<1>,1|O<2>}	115.2590	0.000	1	115.2590	0.000	1	115.2590	0.000	1	115.5836	2.279	400	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:N[6a]-2:C-2:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]S)	C[6a](C[6a]N[6a]S)(N[6a]C[6a])(SC[6])	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]S){1|C<2>,1|N<2>,1|S<2>}	C[6a](C[6a]N[6a]S)(N[6a]C[6a])(SC[6]){1|C<2>,1|C<3>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CN){1|C<3>,1|S<2>}	116.0560	0.288	2	116.0560	0.083	2	116.4921	0.153	7	115.5836	2.279	400	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:N[6a]-2:C-2:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]S)	C[6a](C[6a]N[6a]S)(N[6a]C[6a])(SC[6a])	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]S){1|C<2>,1|N<2>,1|S<2>}	C[6a](C[6a]N[6a]S)(N[6a]C[6a])(SC[6a]){1|C<2>,1|C<3>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CN){1|C<3>,1|S<2>}	116.6666	0.275	5	116.6666	0.075	5	116.4921	0.153	7	115.5836	2.279	400	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:N[6a]-2:N-2:	N[6a](C[6a]C[6a]N)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC)	N[6a](C[6a]C[6a]N)(C[6a]C[6a]S){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SC){1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC){1|S<2>,2|C<3>}	118.7430	0.000	1	118.7430	0.000	1	119.0435	0.181	2	115.5836	2.279	400	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:N[6a]-2:N-2:	N[6a](C[6a]C[6a]N)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NP)	N[6a](C[6a]C[6a]N)(C[6a]C[6a]S){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SC){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NP){1|C<3>,1|H<1>,1|S<2>}	119.3440	0.000	1	119.3440	0.000	1	119.0435	0.181	2	115.5836	2.279	400	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:N[6a]-2:S-2:	N[6a](C[6a]C[6a]S)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SC)	N[6a](C[6a]C[6a]S)2{1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SC){1|S<2>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SC){1|S<2>,2|C<3>}	117.1380	0.000	1	117.1380	0.000	1	116.9457	0.306	3	115.5836	2.279	400	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:N[6a]-2:S-2:	N[6a](C[6a]C[6a]S)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SC[5a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SC[5])	N[6a](C[6a]C[6a]S)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SC[5a]){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SC[5]){1|C<3>,1|H<1>,1|S<2>}	116.3220	0.000	1	116.3220	0.000	1	116.9457	0.306	3	115.5836	2.279	400	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:N[6a]-2:S-2:	N[6a](C[6a]C[6a]S)2	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(SC[5a])	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(SC[5a])	N[6a](C[6a]C[6a]S)2{1|N<2>,2|C<2>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(SC[5a]){1|C<3>,1|S<2>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(SC[5a]){1|C<3>,1|S<2>}	117.3770	0.000	1	117.3770	0.000	1	116.9457	0.306	3	115.5836	2.279	400	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:Se-2:	C[6a]-3:N[6a]-2:Se-2:	N[6a](C[6a]C[6a]Se)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SeC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SeC)	N[6a](C[6a]C[6a]Se)2{1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SeC){1|Se<2>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SeC){1|Se<2>,1|C<3>,1|C<4>}	117.2670	0.096	2	117.2670	0.009	2	116.8836	0.515	7	115.5836	2.279	400	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:Se-2:	C[6a]-3:N[6a]-2:Se-2:	N[6a](C[6a]C[6a]Se)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SeC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SeC)	N[6a](C[6a]C[6a]Se)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SeC){1|Se<2>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SeC){1|Se<2>,1|C<3>,1|C<4>}	116.3280	0.000	1	116.4303	0.745	3	116.8836	0.515	7	115.5836	2.279	400	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:Se-2:	C[6a]-3:N[6a]-2:Se-2:	N[6a](C[6a]C[6a]Se)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SeC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SeC)	N[6a](C[6a]C[6a]Se)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SeC){1|Se<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SeC){1|Se<2>,1|C<3>,1|H<1>}	117.3400	0.000	1	116.4303	0.745	3	116.8836	0.515	7	115.5836	2.279	400	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:Se-2:	C[6a]-3:N[6a]-2:Se-2:	N[6a](C[6a]C[6a]Se)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SeC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SeC)	N[6a](C[6a]C[6a]Se)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SeC){1|Se<2>,1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SeC){1|Se<2>,1|C<3>,1|N<3>}	115.6230	0.000	1	116.4303	0.745	3	116.8836	0.515	7	115.5836	2.279	400	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:Se-2:	C[6a]-3:N[6a]-2:Se-2:	N[6a](C[6a]C[6a]Se)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SeC[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SeC[6a])	N[6a](C[6a]C[6a]Se)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SeC[6a]){1|Se<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SeC[6a]){1|Se<2>,1|C<3>,1|H<1>}	117.1800	0.709	2	117.1800	0.502	2	116.8836	0.515	7	115.5836	2.279	400	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:2:	C[6a]-3:C[6a]-3:	N[5]-3:N[6a]-2:N[6a]-2:	N[5]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a]N[6a]N[5])2	C[6a](N[5]C[5,6a]C[5])(N[6a]C[6a])2	C[6a](N[5]C[5,6a]C[5])(N[6a]C[6a])2	N[6a](C[6a]N[6a]N[5])2{5|C<3>}	C[6a](N[5]C[5,6a]C[5])(N[6a]C[6a])2{1|H<1>,1|N<2>,2|C<3>,3|N<3>}	C[6a](N[5]C[5,6a]C[5])(N[6a]C[6a])2{1|H<1>,1|N<2>,2|C<3>,3|N<3>}	110.7370	0.000	1	110.7370	0.000	1	110.7370	0.000	1	115.5836	2.279	400	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:2:	C[6a]-3:C[6a]-3:	N[5a,6a]-3:N[6a]-2:O-2:	C[6a]-3:N[6a]-2:O-2:	N[6a](C[6a]N[5a,6a]O)(C[6a]C[6a]O)	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(OC)	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(OC)	N[6a](C[6a]N[5a,6a]O)(C[6a]C[6a]O){1|H<1>,2|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(OC){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(OC){1|N<2>,1|N<3>,1|O<2>}	117.1140	0.000	1	117.1140	0.000	1	117.1140	0.000	1	115.5836	2.279	400	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:2:	C[6a]-3:C[6a]-3:	N[5a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a]C[6a]N[6a])(C[6a]N[5a]N[6a])	C[6a](N[5a]C[5a]N[5a])(N[6a]C[6a])2	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]N[5a]N[6a]){1|N<2>,4|C<3>}	C[6a](N[5a]C[5a]N[5a])(N[6a]C[6a])2{1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{1|N<2>,2|C<3>,2|H<1>,2|N<3>}	114.1380	0.552	2	114.1380	0.304	2	114.1380	0.304	2	115.5836	2.279	400	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:2:	C[6a]-3:C[6a]-3:	N[5a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:N[6a]-2:O-2:	N[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]O)	C[6a](N[5a]C[5a]N[5a])(N[6a]C[6a])2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	N[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]O){1|H<1>,1|N<2>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(N[6a]C[6a])2{1|H<1>,2|O<2>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|N<2>,1|N<3>,1|O<2>}	113.9783	0.430	4	113.9783	0.185	4	113.9783	0.185	4	115.5836	2.279	400	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:2:	C[6a]-3:C[6a]-3:	N[5a]-3:N[6a]-2:N[6a]-2:	N[5a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a]N[5a]N[6a])2	C[6a](N[5a]C[5a,6a]2)(N[6a]C[6a])2	C[6a](N[5a]C[5a,6a]2)(N[6a]C[6a])2	N[6a](C[6a]N[5a]N[6a])2{5|C<3>}	C[6a](N[5a]C[5a,6a]2)(N[6a]C[6a])2{1|C<4>,1|N<2>,1|N<3>,4|C<3>}	C[6a](N[5a]C[5a,6a]2)(N[6a]C[6a])2{1|C<4>,1|N<2>,1|N<3>,4|C<3>}	113.3540	0.000	1	113.8751	0.306	14	113.2454	0.724	26	115.5836	2.279	400	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:2:	C[6a]-3:C[6a]-3:	N[5a]-3:N[6a]-2:N[6a]-2:	N[5a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a]N[5a]N[6a])2	C[6a](N[5a]C[5a,6a]2)(N[6a]C[6a])2	C[6a](N[5a]C[5a,6a]2)(N[6a]C[6a])2	N[6a](C[6a]N[5a]N[6a])2{5|C<3>}	C[6a](N[5a]C[5a,6a]2)(N[6a]C[6a])2{1|Cl<1>,1|N<2>,1|N<3>,4|C<3>}	C[6a](N[5a]C[5a,6a]2)(N[6a]C[6a])2{1|Cl<1>,1|N<2>,1|N<3>,4|C<3>}	114.7105	0.110	2	113.8751	0.306	14	113.2454	0.724	26	115.5836	2.279	400	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:2:	C[6a]-3:C[6a]-3:	N[5a]-3:N[6a]-2:N[6a]-2:	N[5a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a]N[5a]N[6a])2	C[6a](N[5a]C[5a,6a]2)(N[6a]C[6a])2	C[6a](N[5a]C[5a,6a]2)(N[6a]C[6a])2	N[6a](C[6a]N[5a]N[6a])2{5|C<3>}	C[6a](N[5a]C[5a,6a]2)(N[6a]C[6a])2{1|N<2>,1|N<3>,1|O<2>,4|C<3>}	C[6a](N[5a]C[5a,6a]2)(N[6a]C[6a])2{1|N<2>,1|N<3>,1|O<2>,4|C<3>}	113.6941	0.296	8	113.8751	0.306	14	113.2454	0.724	26	115.5836	2.279	400	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:2:	C[6a]-3:C[6a]-3:	N[5a]-3:N[6a]-2:N[6a]-2:	N[5a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a]N[5a]N[6a])2	C[6a](N[5a]C[5a,6a]2)(N[6a]C[6a])2	C[6a](N[5a]C[5a,6a]2)(N[6a]C[6a])2	N[6a](C[6a]N[5a]N[6a])2{5|C<3>}	C[6a](N[5a]C[5a,6a]2)(N[6a]C[6a])2{1|N<2>,1|N<3>,1|P<4>,4|C<3>}	C[6a](N[5a]C[5a,6a]2)(N[6a]C[6a])2{1|N<2>,1|N<3>,1|P<4>,4|C<3>}	114.9390	0.000	1	113.8751	0.306	14	113.2454	0.724	26	115.5836	2.279	400	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:2:	C[6a]-3:C[6a]-3:	N[5a]-3:N[6a]-2:N[6a]-2:	N[5a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a]N[5a]N[6a])2	C[6a](N[5a]C[5a,6a]2)(N[6a]C[6a])2	C[6a](N[5a]C[5a,6a]2)(N[6a]C[6a])2	N[6a](C[6a]N[5a]N[6a])2{5|C<3>}	C[6a](N[5a]C[5a,6a]2)(N[6a]C[6a])2{1|N<2>,2|N<3>,4|C<3>}	C[6a](N[5a]C[5a,6a]2)(N[6a]C[6a])2{1|N<2>,2|N<3>,4|C<3>}	113.4920	0.044	2	113.8751	0.306	14	113.2454	0.724	26	115.5836	2.279	400	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:2:	C[6a]-3:C[6a]-3:	N[5a]-3:N[6a]-2:N[6a]-2:	N[5a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a]N[5a]N[6a])2	C[6a](N[5a]C[5a]2)(N[6a]C[6a])2	C[6a](N[5a]C[5a]2)(N[6a]C[6a])2	N[6a](C[6a]N[5a]N[6a])2{5|C<3>}	C[6a](N[5a]C[5a]2)(N[6a]C[6a])2{1|C<3>,2|H<1>,2|N<2>,2|N<3>}	C[6a](N[5a]C[5a]2)(N[6a]C[6a])2{1|C<3>,2|H<1>,2|N<2>,2|N<3>}	112.4258	0.179	6	112.4258	0.032	6	113.2454	0.724	26	115.5836	2.279	400	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:2:	C[6a]-3:C[6a]-3:	N[5a]-3:N[6a]-2:N[6a]-2:	N[5a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a]N[5a]N[6a])2	C[6a](N[5a]C[5a]N[5a])(N[6a]C[6a])2	C[6a](N[5a]C[5a]N[5a])(N[6a]C[6a])2	N[6a](C[6a]N[5a]N[6a])2{2|N<2>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(N[6a]C[6a])2{1|C<4>,1|N<2>,2|C<3>,2|N<3>}	C[6a](N[5a]C[5a]N[5a])(N[6a]C[6a])2{1|C<4>,1|N<2>,2|C<3>,2|N<3>}	112.6597	0.394	3	112.5958	0.369	6	113.2454	0.724	26	115.5836	2.279	400	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:2:	C[6a]-3:C[6a]-3:	N[5a]-3:N[6a]-2:N[6a]-2:	N[5a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a]N[5a]N[6a])2	C[6a](N[5a]C[5a]N[5a])(N[6a]C[6a])2	C[6a](N[5a]C[5a]N[5a])(N[6a]C[6a])2	N[6a](C[6a]N[5a]N[6a])2{2|N<2>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(N[6a]C[6a])2{1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(N[6a]C[6a])2{1|H<1>,1|N<2>,1|N<3>,3|C<3>}	111.6440	0.000	1	112.5958	0.369	6	113.2454	0.724	26	115.5836	2.279	400	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:2:	C[6a]-3:C[6a]-3:	N[5a]-3:N[6a]-2:N[6a]-2:	N[5a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a]N[5a]N[6a])2	C[6a](N[5a]C[5a]N[5a])(N[6a]C[6a])2	C[6a](N[5a]C[5a]N[5a])(N[6a]C[6a])2	N[6a](C[6a]N[5a]N[6a])2{2|N<2>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(N[6a]C[6a])2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(N[6a]C[6a])2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	112.9760	0.574	2	112.5958	0.369	6	113.2454	0.724	26	115.5836	2.279	400	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:3:	C[6a]-3:C[6a]-3:	C[5a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]N)	C[6a](C[5a]C[5a]O[5a])(N[6a]C[6a])2	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]N){1|N<3>,1|O<2>,2|C<3>}	C[6a](C[5a]C[5a]O[5a])(N[6a]C[6a])2{1|H<1>,1|N<3>,1|S<2>,3|C<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH){1|C<3>,1|N<2>,1|S<2>}	116.7120	0.000	1	116.7120	0.000	1	116.7120	0.000	1	117.4730	1.995	9	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:N-2:	C[6a,6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a,6a]N)2	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a])(NC[6a])	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a,6a]N)2{3|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a])(NC[6a]){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a])(NHH){1|H<1>,1|N<2>,3|C<3>}	119.5950	0.023	2	119.5950	0.001	2	119.5950	0.001	2	117.4730	1.995	9	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:N[6a]-2:C-3:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(N[6a]N[6a])	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CC[6a]O)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C){1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(N[6a]N[6a]){2|H<1>,4|C<3>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CC[6a]O){1|C<3>,1|N<2>}	116.4020	0.000	1	116.4020	0.000	1	116.4020	0.000	1	117.4730	1.995	9	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N){4|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(NHH){1|N<2>,4|C<3>}	116.8040	0.000	1	116.8040	0.000	1	116.3107	0.209	3	117.4730	1.995	9	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N){1|C<4>,3|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH){1|N<2>,2|C<3>}	115.9000	0.000	1	115.9000	0.000	1	116.3107	0.209	3	117.4730	1.995	9	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCN)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCN){1|C<3>,1|C<4>,1|N<2>}	116.2280	0.000	1	116.2280	0.000	1	116.3107	0.209	3	117.4730	1.995	9	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]N)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SC[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]N)(C[6a]C[6a]S){1|C<3>,2|C<2>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SC[6a]){1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH){1|S<2>,2|C<3>}	118.3100	0.000	1	118.3100	0.000	1	118.3100	0.000	1	117.4730	1.995	9	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:Se-2:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]Se)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SeC[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]Se)(C[6a]C[6a]N){1|C<3>,2|C<2>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SeC[6a]){1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH){1|Se<2>,2|C<3>}	117.7110	0.000	1	117.7110	0.000	1	117.7110	0.000	1	117.4730	1.995	9	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:4:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:O-2:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]C)	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a])(OC)	C[6a](C[6a]N[5a,6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]C){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a])(OC){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]N[5a,6a]H)(N[6a]C[6a])(CH3){1|O<2>,2|C<3>}	117.2450	0.000	1	117.2450	0.000	1	117.2450	0.000	1	117.4894	2.460	55	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:O-2:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]2)(N[6a]C[6a])(OC)	C[6a](C[6a]C[6a,6a]C)(N[6a]C[6a])(CCHH)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C){1|C<4>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]2)(N[6a]C[6a])(OC){1|C<4>,4|C<3>}	C[6a](C[6a]C[6a,6a]C)(N[6a]C[6a])(CCHH){1|O<2>,2|C<3>}	118.0530	0.000	1	118.0530	0.000	1	119.0307	1.400	3	117.4894	2.460	55	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:O-2:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(OC)	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a])(CCCH)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C){3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(OC){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a])(CCCH){1|O<2>,4|C<3>}	118.6930	0.000	1	118.6930	0.000	1	119.0307	1.400	3	117.4894	2.460	55	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:O-2:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(OC)	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a])(CCCO)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C){3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(OC){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a])(CCCO){1|O<2>,4|C<3>}	120.3460	0.000	1	120.3460	0.000	1	119.0307	1.400	3	117.4894	2.460	55	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[5])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[5]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|H<1>,1|N<2>}	117.8880	0.000	1	117.8880	0.000	1	118.5134	4.084	13	117.4894	2.460	55	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[5a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[5a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|H<1>,1|N<2>}	117.9646	0.304	11	117.9646	0.093	11	118.5134	4.084	13	117.4894	2.460	55	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]Pd)(N[6a]C[6a])(NC[5a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|Pd<4>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Pd)(N[6a]C[6a])(NC[5a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|H<1>,1|N<2>}	125.1750	0.000	1	125.1750	0.000	1	118.5134	4.084	13	117.4894	2.460	55	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a])2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a])2{1|H<1>,2|C<4>,4|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|C<4>,1|N<2>}	116.6033	0.125	4	116.6033	0.016	4	116.7655	0.298	22	117.4894	2.460	55	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(N[6a]N[6a])	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CF3)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C){1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(N[6a]N[6a]){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CF3){1|C<3>,1|N<2>}	115.9400	0.000	1	115.9400	0.000	1	116.7655	0.298	22	117.4894	2.460	55	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(N[6a]N[6a])	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C){1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(N[6a]N[6a]){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CH3){1|C<3>,1|N<2>}	117.3960	0.000	1	117.3960	0.000	1	116.7655	0.298	22	117.4894	2.460	55	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCCH)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C){1|C<2>,3|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{1|C<3>,2|C<4>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCCH){1|C<3>,1|H<1>,1|N<2>}	117.9720	0.000	1	117.9720	0.000	1	116.7655	0.298	22	117.4894	2.460	55	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C){1|C<4>,3|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3){1|C<3>,1|N<2>,1|N<3>}	116.5392	0.305	5	116.7760	0.146	9	116.7655	0.298	22	117.4894	2.460	55	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C){1|C<4>,3|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{1|C<4>,1|S<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3){1|C<3>,1|N<2>,1|S<2>}	116.9780	0.170	3	116.7760	0.146	9	116.7655	0.298	22	117.4894	2.460	55	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C){4|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{1|C<4>,1|S<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3){1|C<3>,1|N<2>,1|S<2>}	117.3540	0.000	1	116.7760	0.146	9	116.7655	0.298	22	117.4894	2.460	55	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO){1|C<3>,1|N<2>,1|N<3>}	115.9040	0.000	1	115.9040	0.000	1	116.7655	0.298	22	117.4894	2.460	55	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(N[6a]N[6a])	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CCCH)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C){1|C<3>,1|C<4>,2|N<2>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(N[6a]N[6a]){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CCCH){1|C<3>,1|N<2>}	117.4980	0.096	2	117.4980	0.009	2	116.7655	0.298	22	117.4894	2.460	55	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(N[6a]N[6a])	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C){1|C<3>,1|C<4>,2|N<2>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(N[6a]N[6a]){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CH3){1|C<3>,1|N<2>}	116.5910	0.098	2	116.5910	0.010	2	116.7655	0.298	22	117.4894	2.460	55	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)	C[6a](C[6a]N[6a]2)(N[6a]C[6a])(N[6a]N[6a])	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C){1|C<4>,3|N<2>}	C[6a](C[6a]N[6a]2)(N[6a]C[6a])(N[6a]N[6a]){1|C<4>,1|N<2>,2|C<3>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CH3){1|C<3>,1|N<2>}	116.0530	0.000	1	116.0530	0.000	1	116.7655	0.298	22	117.4894	2.460	55	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC[5])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC[5]){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3){1|C<3>,2|O<2>}	118.1180	0.000	1	118.1180	0.000	1	117.9857	1.328	6	117.4894	2.460	55	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O){1|C<2>,2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC[6a]){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3){1|C<3>,1|N<3>,1|O<2>}	118.0680	0.000	1	118.0680	0.000	1	117.9857	1.328	6	117.4894	2.460	55	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CF3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC[6a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CF3){1|C<3>,1|H<1>,1|O<2>}	115.8350	0.000	1	115.8350	0.000	1	117.9857	1.328	6	117.4894	2.460	55	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(OC)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CSiHO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(OC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CSiHO){1|C<3>,2|O<2>}	118.9480	0.000	1	118.9480	0.000	1	117.9857	1.328	6	117.4894	2.460	55	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(OC[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(OC[6a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|H<1>,1|O<2>}	118.4725	0.769	2	118.4725	0.591	2	117.9857	1.328	6	117.4894	2.460	55	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SC[6])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCHH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]S){1|C<2>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SC[6]){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCHH){1|S<2>,2|C<3>}	119.0550	0.000	1	119.0550	0.000	1	118.6910	0.265	2	117.4894	2.460	55	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SC[6])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]S){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SC[6]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|H<1>,1|S<2>}	118.3270	0.000	1	118.3270	0.000	1	118.6910	0.265	2	117.4894	2.460	55	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:4:	C[6a]-3:C[6a]-3:	N[5a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]C)	C[6a](N[5a]C[5a,6a]C[5a])(N[6a]C[6a])(N[6a]N[6a])	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CH3)	N[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]C){1|C<4>,1|N<2>,2|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(N[6a]C[6a])(N[6a]N[6a]){1|N<2>,2|C<4>,3|C<3>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CH3){1|N<2>,1|N<3>}	115.9340	0.000	1	115.9340	0.000	1	115.3204	0.158	5	117.4894	2.460	55	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:4:	C[6a]-3:C[6a]-3:	N[5a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]C)	C[6a](N[5a]C[5a]2)(N[6a]C[6a])2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]C){1|H<1>,3|C<3>}	C[6a](N[5a]C[5a]2)(N[6a]C[6a])2{1|N<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<4>,1|N<2>,1|N<3>}	115.1670	0.230	4	115.1670	0.053	4	115.3204	0.158	5	117.4894	2.460	55	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:4:	C[6a]-3:C[6a]-3:	N[6a]-3:N[6a]-2:S-2:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(SC[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC3)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S){1|C<3>,2|H<1>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(SC[6a]){1|C<3>,1|C<4>,1|O<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC3){1|N<3>,1|O<1>,1|S<2>}	117.4600	0.000	1	117.4600	0.000	1	117.4600	0.000	1	117.4894	2.460	55	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:4:	C[6a]-3:C[6a]-3:	N[6a]-3:N[6a]-2:Se-2:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]N[6a]Se)(C[6a]C[6a]C)	C[6a](N[6a]C[6a]2)(N[6a]C[6a])(SeSe)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH)	N[6a](C[6a]N[6a]Se)(C[6a]C[6a]C){1|H<1>,2|C<3>}	C[6a](N[6a]C[6a]2)(N[6a]C[6a])(SeSe){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH){1|Se<2>,1|N<3>,1|O<1>}	119.3545	0.209	2	119.3545	0.044	2	119.3545	0.044	2	117.4894	2.460	55	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(N[6a]N[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2){1|N<2>,5|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(N[6a]N[6a]){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,2|H<1>,5|C<3>}	117.2880	0.000	1	117.2880	0.000	1	117.2880	0.000	1	117.2880	0.000	1	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	4:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[3]-4:N[6a]-2:N[6a]-2:	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C[3])	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	C[6a](C[3]C[3]2H)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C[3]){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{1|H<1>,1|N<2>,1|N<3>,2|C<3>,2|C<4>}	C[6a](C[3]C[3]2H)(N[6a]C[6a])2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	115.4525	0.037	2	115.4525	0.001	2	115.4525	0.001	2	115.0022	0.203	6	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:2:	4:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[5]-4:N[6a]-2:N[6a]-2:	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C[5])	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	C[6a](C[5]C[5,6a]2C[6a])(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C[5]){6|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5]C[5,6a]2C[6a])(N[6a]C[6a])2{1|N<2>,8|C<3>}	114.7770	0.367	4	114.7770	0.135	4	114.7770	0.135	4	115.0022	0.203	6	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:1:	C[6a]-3:C[6a]-3:	C[5,6a]-3:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:Cl-1:	N[6a](C[6a]C[5,6a]N)(C[6a]N[6a]Cl)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(NCH)	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(Cl)	N[6a](C[6a]C[5,6a]N)(C[6a]N[6a]Cl){1|C<3>,1|N<3>}	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(NCH){1|Cl<1>,1|Pt<4>,1|C<3>,1|N<2>,1|N<3>}	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(Cl){1|C<3>,2|N<3>}	117.5295	0.334	2	117.5295	0.112	2	117.5295	0.112	2	117.3260	2.410	359	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:1:	C[6a]-3:C[6a]-3:	C[5,6a]-3:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[5,6a]N)(C[6a]N[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(NCH)	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5,6a]N)(C[6a]N[6a]H){1|C<3>,1|N<3>}	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(NCH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(H){1|C<3>,2|N<3>}	118.8040	0.182	3	118.7284	0.031	5	118.8516	0.553	16	117.3260	2.410	359	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:1:	C[6a]-3:C[6a]-3:	C[5,6a]-3:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[5,6a]N)(C[6a]N[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(NCH)	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5,6a]N)(C[6a]N[6a]H){1|C<3>,1|N<3>}	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(NCH){1|Rh<8>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(H){1|C<3>,2|N<3>}	118.6150	0.117	2	118.7284	0.031	5	118.8516	0.553	16	117.3260	2.410	359	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:1:	C[6a]-3:C[6a]-3:	C[5,6a]-3:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[5,6a]N)(C[6a]N[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(NHH)	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5,6a]N)(C[6a]N[6a]H){1|C<3>,1|N<3>}	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(NHH){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(H){1|C<3>,2|N<3>}	119.4090	0.000	1	118.9075	0.806	11	118.8516	0.553	16	117.3260	2.410	359	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:1:	C[6a]-3:C[6a]-3:	C[5,6a]-3:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[5,6a]N)(C[6a]N[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(NHH)	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5,6a]N)(C[6a]N[6a]H){1|C<3>,1|N<3>}	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(NHH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(H){1|C<3>,2|N<3>}	119.2616	0.338	5	118.9075	0.806	11	118.8516	0.553	16	117.3260	2.410	359	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:1:	C[6a]-3:C[6a]-3:	C[5,6a]-3:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[5,6a]N)(C[6a]N[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(NHH)	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5,6a]N)(C[6a]N[6a]H){1|C<3>,1|N<3>}	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(NHH){1|Ir<8>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(H){1|C<3>,2|N<3>}	118.9990	0.000	1	118.9075	0.806	11	118.8516	0.553	16	117.3260	2.410	359	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:1:	C[6a]-3:C[6a]-3:	C[5,6a]-3:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[5,6a]N)(C[6a]N[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(NHH)	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5,6a]N)(C[6a]N[6a]H){1|C<3>,1|N<3>}	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(NHH){1|Os<9>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(H){1|C<3>,2|N<3>}	117.3860	0.000	1	118.9075	0.806	11	118.8516	0.553	16	117.3260	2.410	359	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:1:	C[6a]-3:C[6a]-3:	C[5,6a]-3:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[5,6a]N)(C[6a]N[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(NHH)	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5,6a]N)(C[6a]N[6a]H){1|C<3>,1|N<3>}	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(NHH){1|Pt<4>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(H){1|C<3>,2|N<3>}	117.9375	1.148	2	118.9075	0.806	11	118.8516	0.553	16	117.3260	2.410	359	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:1:	C[6a]-3:C[6a]-3:	C[5,6a]-3:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[5,6a]N)(C[6a]N[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(NHH)	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5,6a]N)(C[6a]N[6a]H){1|C<3>,1|N<3>}	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(NHH){1|Ru<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(H){1|C<3>,2|N<3>}	120.0060	0.000	1	118.9075	0.806	11	118.8516	0.553	16	117.3260	2.410	359	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:1:	C[6a]-3:C[6a]-3:	C[5,6a]-3:N[6a]-2:N[5]-3:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[5,6a]N[5])(C[6a]N[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(N[5]C[5]2)	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5,6a]N[5])(C[6a]N[6a]H){1|N<3>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(N[5]C[5]2){1|C<3>,1|N<2>,1|N<3>,2|C<4>,2|H<1>,2|O<1>}	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(H){1|C<3>,2|N<3>}	118.1270	0.000	1	118.1270	0.000	1	118.1270	0.000	1	117.3260	2.410	359	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:1:	C[6a]-3:C[6a]-3:	C[5,6a]-3:N[6a]-2:S-3:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[5,6a]S)(C[6a]N[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(SCu2)	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5,6a]S)(C[6a]N[6a]H){1|C<3>,1|N<3>}	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(SCu2){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(H){1|C<3>,1|N<3>,1|S<3>}	118.7720	0.000	1	118.7720	0.000	1	118.7720	0.000	1	117.3260	2.410	359	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:Cl-1:	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]Cl)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCC)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(Cl)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]Cl){1|C<3>,1|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>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(Cl){1|C<3>,2|N<3>}	117.9630	0.436	2	117.9630	0.190	2	117.2733	0.199	13	117.3260	2.410	359	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:Cl-1:	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]Cl)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(Cl)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]Cl){1|C<3>,1|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>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(Cl){1|C<3>,2|N<3>}	117.1403	0.369	7	117.1403	0.136	7	117.2733	0.199	13	117.3260	2.410	359	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:Cl-1:	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]Cl)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NC[3]H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(Cl)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]Cl){1|C<3>,1|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>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(Cl){1|C<3>,2|N<3>}	117.1940	0.082	2	117.1940	0.007	2	117.2733	0.199	13	117.3260	2.410	359	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:Cl-1:	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]Cl)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NC[6a]H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(Cl)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]Cl){1|C<3>,1|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>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(Cl){1|C<3>,2|N<3>}	117.1285	0.499	2	117.1285	0.249	2	117.2733	0.199	13	117.3260	2.410	359	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:D-1:	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]D)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(D)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]D){1|C<3>,1|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>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(D){1|C<3>,2|N<3>}	118.8710	0.000	1	118.8710	0.000	1	118.8710	0.000	1	117.3260	2.410	359	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:F-1:	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]F)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(F)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]F){2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH){1|C<3>,1|F<1>,1|H<1>,1|N<2>,1|N<3>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(F){1|C<3>,2|N<3>}	115.6840	0.000	1	115.6840	0.000	1	115.6840	0.000	1	117.3260	2.410	359	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a])(NC[6]C)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H){2|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a])(NC[6]C){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|C<3>,2|N<3>}	118.8330	0.000	1	118.8330	0.000	1	118.4986	0.850	163	117.3260	2.410	359	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a])(NC[6a]H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H){2|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a])(NC[6a]H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|C<3>,1|N<3>,1|O<2>}	118.6790	0.000	1	118.6790	0.000	1	118.4986	0.850	163	117.3260	2.410	359	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NCC)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H){2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NCC){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|C<3>,2|N<3>}	119.2930	0.000	1	119.2930	0.000	1	118.4986	0.850	163	117.3260	2.410	359	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NC[4]C)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H){2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NC[4]C){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|C<3>,2|N<3>}	118.7910	0.000	1	118.7910	0.000	1	118.4986	0.850	163	117.3260	2.410	359	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H){2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH){1|Br<1>,1|H<1>,1|N<3>,2|N<2>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|C<3>,2|N<3>}	118.8720	0.000	1	118.0961	0.281	20	118.4986	0.850	163	117.3260	2.410	359	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H){2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH){1|C<2>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|C<3>,2|N<3>}	117.8340	0.000	1	118.0961	0.281	20	118.4986	0.850	163	117.3260	2.410	359	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H){2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH){1|C<2>,1|H<1>,1|N<3>,2|N<2>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|C<3>,2|N<3>}	117.8610	0.000	1	118.0961	0.281	20	118.4986	0.850	163	117.3260	2.410	359	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H){2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|C<3>,2|N<3>}	118.5130	0.000	1	118.0961	0.281	20	118.4986	0.850	163	117.3260	2.410	359	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H){2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH){1|C<3>,1|F<1>,1|H<1>,1|N<2>,1|N<3>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|C<3>,2|N<3>}	117.7610	0.738	3	118.0961	0.281	20	118.4986	0.850	163	117.3260	2.410	359	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H){2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|I<1>,1|N<2>,1|N<3>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|C<3>,2|N<3>}	118.5763	0.659	3	118.0961	0.281	20	118.4986	0.850	163	117.3260	2.410	359	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H){2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|N<3>,2|N<2>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|C<3>,2|N<3>}	117.4090	0.000	1	118.0961	0.281	20	118.4986	0.850	163	117.3260	2.410	359	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H){2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|C<3>,2|N<3>}	118.0870	0.000	1	118.0961	0.281	20	118.4986	0.850	163	117.3260	2.410	359	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H){2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|N<3>,2|C<3>}	117.8760	0.000	1	118.0961	0.281	20	118.4986	0.850	163	117.3260	2.410	359	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H){2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|C<3>,2|N<3>}	118.4270	0.000	1	118.0961	0.281	20	118.4986	0.850	163	117.3260	2.410	359	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H){2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH){1|H<1>,1|I<1>,1|N<3>,2|N<2>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|C<3>,2|N<3>}	118.5430	0.000	1	118.0961	0.281	20	118.4986	0.850	163	117.3260	2.410	359	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H){2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH){1|N<3>,2|H<1>,2|N<2>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|C<3>,1|N<2>,1|N<3>}	118.0790	0.000	1	118.0961	0.281	20	118.4986	0.850	163	117.3260	2.410	359	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H){2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH){1|N<3>,2|H<1>,2|N<2>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|C<3>,2|N<3>}	117.8522	0.357	4	118.0961	0.281	20	118.4986	0.850	163	117.3260	2.410	359	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHN)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H){2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHN){1|N<3>,2|H<1>,2|N<2>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|C<3>,2|N<3>}	117.7195	0.924	2	117.7195	0.854	2	118.4986	0.850	163	117.3260	2.410	359	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCC)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H){1|C<3>,1|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>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|C<3>,2|N<3>}	118.4837	1.051	3	118.4837	1.104	3	118.4986	0.850	163	117.3260	2.410	359	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H){1|C<3>,1|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>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|C<3>,2|N<3>}	118.3984	0.445	16	118.5342	0.376	23	118.4986	0.850	163	117.3260	2.410	359	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H){1|C<3>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH){1|C<3>,2|H<1>,2|N<2>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|C<3>,1|N<2>,1|N<3>}	118.8446	0.850	7	118.5342	0.376	23	118.4986	0.850	163	117.3260	2.410	359	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NC[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H){1|C<3>,1|N<2>}	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>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|C<3>,2|N<3>}	118.4870	0.000	1	118.4870	0.000	1	118.4986	0.850	163	117.3260	2.410	359	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NC[6a]H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H){1|C<3>,1|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>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|C<3>,2|N<3>}	117.7450	1.041	2	117.7450	1.083	2	118.4986	0.850	163	117.3260	2.410	359	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H){1|C<3>,1|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>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|C<3>,2|N<3>}	118.6119	1.029	99	118.6206	1.018	105	118.4986	0.850	163	117.3260	2.410	359	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H){1|C<3>,1|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>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|N<3>,2|C<3>}	118.2570	0.000	1	118.6206	1.018	105	118.4986	0.850	163	117.3260	2.410	359	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H){1|C<3>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|C<3>,1|N<2>,1|N<3>}	118.5530	0.000	1	118.6206	1.018	105	118.4986	0.850	163	117.3260	2.410	359	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H){1|C<3>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH){1|C<3>,2|H<1>,2|N<2>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|C<3>,1|N<2>,1|N<3>}	118.3665	0.480	2	118.6206	1.018	105	118.4986	0.850	163	117.3260	2.410	359	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H){1|C<3>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH){1|C<4>,1|H<1>,3|N<2>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|C<3>,1|N<2>,1|N<3>}	119.6070	0.000	1	118.6206	1.018	105	118.4986	0.850	163	117.3260	2.410	359	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H){1|C<3>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH){1|H<1>,2|C<3>,2|N<2>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|N<3>,2|C<3>}	119.4390	0.000	1	118.6206	1.018	105	118.4986	0.850	163	117.3260	2.410	359	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a])(NCH)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H){1|C<3>,1|S<2>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a])(NCH){1|H<1>,1|N<2>,2|C<3>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|N<3>,2|C<3>}	117.4490	0.035	2	117.4490	0.001	2	118.4986	0.850	163	117.3260	2.410	359	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a])(NHH)	C[6a](N[6a]N[5a,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H){1|C<3>,1|N<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a])(NHH){1|N<2>,2|C<3>,2|H<1>}	C[6a](N[6a]N[5a,6a])(N[6a]C[6a])(H){1|N<3>,2|C<3>}	116.5320	0.000	1	116.5320	0.000	1	118.4986	0.850	163	117.3260	2.410	359	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:N[5]-3:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[5a,6a]N[5])(C[6a]N[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(N[5]C[5]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]N[5])(C[6a]N[6a]H){2|C<3>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(N[5]C[5]2){1|N<2>,1|N<3>,2|C<3>,2|C<4>,5|H<1>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|C<3>,2|N<3>}	118.0215	0.421	2	118.0215	0.177	2	118.0215	0.177	2	117.3260	2.410	359	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:N[6]-3:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[5a,6a]N[6])(C[6a]N[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a])(N[6]C[6]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]N[6])(C[6a]N[6a]H){2|C<3>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a])(N[6]C[6]2){1|C<3>,1|N<2>,1|S<2>,3|C<4>,5|H<1>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|C<3>,1|N<3>,1|S<2>}	117.5380	0.247	2	117.5380	0.061	2	117.5380	0.061	2	117.3260	2.410	359	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:1:	C[6a]-3:C[6a]-3:	C[6,6a]-3:N[6a]-2:C-3:	N[6a]-2:N[6a]-2:Cl-1:	N[6a](C[6a]C[6,6a]C)(C[6a]N[6a]Cl)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(COO)	C[6a](N[6a]C[6,6a])(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6,6a]C)(C[6a]N[6a]Cl){1|C<3>,1|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(COO){1|Cl<1>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[6a](N[6a]C[6,6a])(N[6a]C[6a])(Cl){1|C<4>,2|C<3>}	114.4440	0.000	1	114.4440	0.000	1	114.4440	0.000	1	117.3260	2.410	359	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:1:	C[6a]-3:C[6a]-3:	C[6,6a]-3:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[6,6a]N)(C[6a]N[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(NCH)	C[6a](N[6a]C[6,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6,6a]N)(C[6a]N[6a]H){1|C<3>,1|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(NCH){1|N<2>,2|N<3>,3|H<1>}	C[6a](N[6a]C[6,6a])(N[6a]C[6a])(H){1|C<3>,2|N<3>}	115.4300	0.000	1	115.4300	0.000	1	115.9617	0.226	3	117.3260	2.410	359	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:1:	C[6a]-3:C[6a]-3:	C[6,6a]-3:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[6,6a]N)(C[6a]N[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(NC[6a]H)	C[6a](N[6a]C[6,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6,6a]N)(C[6a]N[6a]H){1|C<3>,1|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(NC[6a]H){1|C<3>,1|N<2>,1|O<2>,3|H<1>}	C[6a](N[6a]C[6,6a])(N[6a]C[6a])(H){1|C<3>,1|N<3>,1|O<2>}	116.3450	0.000	1	116.2275	0.028	2	115.9617	0.226	3	117.3260	2.410	359	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:1:	C[6a]-3:C[6a]-3:	C[6,6a]-3:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[6,6a]N)(C[6a]N[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(NC[6a]H)	C[6a](N[6a]C[6,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6,6a]N)(C[6a]N[6a]H){1|C<3>,1|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(NC[6a]H){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6,6a])(N[6a]C[6a])(H){1|C<3>,1|N<3>,1|O<2>}	116.1100	0.000	1	116.2275	0.028	2	115.9617	0.226	3	117.3260	2.410	359	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:1:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:Cl-1:	N[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]Cl)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NCH)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]Cl){2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NCH){1|Cl<1>,1|C<3>,1|H<1>,2|N<2>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(Cl){1|C<3>,1|N<2>,1|N<3>}	115.7710	0.000	1	115.6080	0.069	3	115.5590	0.056	4	117.3260	2.410	359	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:1:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:Cl-1:	N[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]Cl)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NCH)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]Cl){2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NCH){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(Cl){1|N<3>,2|C<3>}	115.5265	0.315	2	115.6080	0.069	3	115.5590	0.056	4	117.3260	2.410	359	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:1:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:Cl-1:	N[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]Cl)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NHH)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]Cl){2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NHH){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(Cl){1|N<3>,2|C<3>}	115.4120	0.000	1	115.4120	0.000	1	115.5590	0.056	4	117.3260	2.410	359	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:1:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NC[5]H)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]H){2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NC[5]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(H){1|N<3>,2|C<3>}	115.4990	0.369	2	115.4990	0.136	2	116.5832	0.361	32	117.3260	2.410	359	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:1:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NC[6a]H)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]H){2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NC[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(H){1|N<3>,2|C<3>}	116.7140	0.426	26	116.7140	0.182	26	116.5832	0.361	32	117.3260	2.410	359	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:1:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a])(NCH)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]H){1|C<3>,1|N<2>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a])(NCH){1|H<1>,1|N<2>,2|C<3>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(H){1|N<3>,2|C<3>}	117.1515	0.326	2	117.1515	0.106	2	116.5832	0.361	32	117.3260	2.410	359	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:1:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a])(NHH)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]H){1|C<3>,1|N<2>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(H){1|C<3>,2|N<3>}	115.3980	0.383	2	115.3980	0.147	2	116.5832	0.361	32	117.3260	2.410	359	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:1:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:N[5]-3:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[6a,6a]N[5])(C[6a]N[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(N[6a]C[6a])(N[5]C[5]2)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]N[5])(C[6a]N[6a]H){1|C<3>,1|N<3>,2|C<4>}	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(N[6a]C[6a])(N[5]C[5]2){2|C<3>,2|C<4>,2|N<2>,5|H<1>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(H){1|C<3>,1|N<2>,1|N<3>}	116.6640	0.000	1	116.6640	0.000	1	116.6640	0.000	1	117.3260	2.410	359	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:1:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:N[6]-3:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[6a,6a]N[6])(C[6a]N[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(N[6]C[6]2)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]N[6])(C[6a]N[6a]H){2|C<3>,2|C<4>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(N[6]C[6]2){1|N<2>,2|C<3>,2|C<4>,6|H<1>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(H){1|N<3>,2|C<3>}	116.4585	0.848	2	116.4585	0.719	2	116.6163	0.434	3	117.3260	2.410	359	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:1:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:N[6]-3:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[6a,6a]N[6])(C[6a]N[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(N[6a]C[6a])(N[6]C[6]2)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]N[6])(C[6a]N[6a]H){1|C<3>,1|N<3>,2|C<4>}	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(N[6a]C[6a])(N[6]C[6]2){2|C<3>,2|C<4>,2|N<2>,5|H<1>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(H){1|C<3>,1|N<2>,1|N<3>}	116.9320	0.000	1	116.9320	0.000	1	116.6163	0.434	3	117.3260	2.410	359	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	N[6a]-2:N[6a]-2:Cl-1:	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCH)	C[6a](N[6a]C[6a])2(Cl)	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]C){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCH){2|Cl<1>,1|N<2>}	C[6a](N[6a]C[6a])2(Cl){1|Cl<1>,2|C<3>}	115.4895	0.590	4	115.4895	0.348	4	114.8110	0.750	8	117.3260	2.410	359	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	N[6a]-2:N[6a]-2:Cl-1:	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]O)	C[6a](N[6a]C[6a])2(Cl)	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]C){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]O){1|Cl<1>,1|C<3>,1|N<2>}	C[6a](N[6a]C[6a])2(Cl){3|C<3>}	113.6210	0.000	1	113.6210	0.000	1	114.8110	0.750	8	117.3260	2.410	359	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	N[6a]-2:N[6a]-2:Cl-1:	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(CNO)	C[6a](N[6a]C[6a])2(Cl)	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]C){1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(CNO){1|Cl<1>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(Cl){1|N<3>,2|C<3>}	114.3030	0.299	3	114.3030	0.089	3	114.8110	0.750	8	117.3260	2.410	359	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCH)	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]H){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCH){1|C<3>,1|H<1>,1|N<2>}	C[6a](N[6a]C[6a])2(H){3|C<3>}	115.7470	0.479	2	116.7063	0.446	11	116.4316	0.517	16	117.3260	2.410	359	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCH)	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]H){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCH){1|N<2>,2|H<1>}	C[6a](N[6a]C[6a])2(H){1|H<1>,2|C<3>}	116.9194	0.498	9	116.7063	0.446	11	116.4316	0.517	16	117.3260	2.410	359	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CClC)	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]H){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CClC){1|N<2>,2|H<1>}	C[6a](N[6a]C[6a])2(H){1|H<1>,2|C<3>}	115.7470	0.000	1	115.7470	0.000	1	116.4316	0.517	16	117.3260	2.410	359	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO)	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]H){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO){1|C<3>,1|H<1>,1|N<2>}	C[6a](N[6a]C[6a])2(H){3|C<3>}	116.1620	0.206	2	115.8475	0.211	4	116.4316	0.517	16	117.3260	2.410	359	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO)	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]H){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO){1|N<2>,2|H<1>}	C[6a](N[6a]C[6a])2(H){1|H<1>,2|C<3>}	115.5330	0.441	2	115.8475	0.211	4	116.4316	0.517	16	117.3260	2.410	359	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:Cl-1:	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H)	C[6a](N[6a]C[6a])2(Cl)	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]N){2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H){2|Cl<1>,1|N<2>}	C[6a](N[6a]C[6a])2(Cl){1|Cl<1>,1|C<3>,1|N<3>}	114.7140	0.000	1	114.7140	0.000	1	115.6723	0.373	16	117.3260	2.410	359	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:Cl-1:	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH)	C[6a](N[6a]C[6a])2(Cl)	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]N){2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH){1|Cl<1>,1|H<1>,1|N<2>}	C[6a](N[6a]C[6a])2(Cl){1|C<3>,1|H<1>,1|N<3>}	116.4350	0.000	1	116.4350	0.000	1	115.6723	0.373	16	117.3260	2.410	359	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:Cl-1:	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(NC[6a]H)	C[6a](N[6a]C[6a])2(Cl)	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]N){1|C<3>,1|F<1>}	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(NC[6a]H){1|Cl<1>,1|C<4>,1|N<2>}	C[6a](N[6a]C[6a])2(Cl){1|C<3>,1|C<4>,1|N<3>}	115.0300	0.000	1	115.0300	0.000	1	115.6723	0.373	16	117.3260	2.410	359	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:Cl-1:	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC)	C[6a](N[6a]C[6a])2(Cl)	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]N){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC){2|Cl<1>,1|N<2>}	C[6a](N[6a]C[6a])2(Cl){1|Cl<1>,1|C<3>,1|N<3>}	115.5030	0.000	1	115.5030	0.000	1	115.6723	0.373	16	117.3260	2.410	359	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:Cl-1:	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C)	C[6a](N[6a]C[6a])2(Cl)	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]N){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C){1|Cl<1>,1|H<1>,1|N<2>}	C[6a](N[6a]C[6a])2(Cl){1|C<3>,1|H<1>,1|N<3>}	115.3530	0.000	1	115.3530	0.000	1	115.6723	0.373	16	117.3260	2.410	359	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:Cl-1:	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H)	C[6a](N[6a]C[6a])2(Cl)	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]N){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H){1|Cl<1>,1|H<1>,1|N<2>}	C[6a](N[6a]C[6a])2(Cl){1|C<3>,1|H<1>,1|N<3>}	114.5700	0.000	1	114.5700	0.000	1	115.6723	0.373	16	117.3260	2.410	359	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:Cl-1:	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	C[6a](N[6a]C[6a])2(Cl)	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]N){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|Cl<1>,1|C<4>,1|N<2>}	C[6a](N[6a]C[6a])2(Cl){1|C<3>,1|C<4>,1|N<3>}	115.2000	0.000	1	115.4140	0.092	2	115.6723	0.373	16	117.3260	2.410	359	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:Cl-1:	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	C[6a](N[6a]C[6a])2(Cl)	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]N){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|Cl<1>,1|H<1>,1|N<2>}	C[6a](N[6a]C[6a])2(Cl){1|C<3>,1|H<1>,1|N<3>}	115.6280	0.000	1	115.4140	0.092	2	115.6723	0.373	16	117.3260	2.410	359	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:Cl-1:	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH)	C[6a](N[6a]C[6a])2(Cl)	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]N){1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH){1|Cl<1>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(Cl){1|C<3>,2|N<3>}	115.7795	0.153	2	115.7795	0.024	2	115.6723	0.373	16	117.3260	2.410	359	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:Cl-1:	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]H)	C[6a](N[6a]C[6a])2(Cl)	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]N){1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]H){1|Cl<1>,1|C<3>,1|N<2>}	C[6a](N[6a]C[6a])2(Cl){1|N<3>,2|C<3>}	116.3307	0.256	3	116.3307	0.065	3	115.6723	0.373	16	117.3260	2.410	359	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:Cl-1:	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH)	C[6a](N[6a]C[6a])2(Cl)	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]N){1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH){1|Cl<1>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(Cl){1|C<3>,2|N<3>}	115.6510	0.027	2	115.9243	0.224	3	115.6723	0.373	16	117.3260	2.410	359	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:Cl-1:	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH)	C[6a](N[6a]C[6a])2(Cl)	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]N){1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH){2|Cl<1>,1|N<2>}	C[6a](N[6a]C[6a])2(Cl){1|Cl<1>,1|C<3>,1|N<3>}	116.4710	0.000	1	115.9243	0.224	3	115.6723	0.373	16	117.3260	2.410	359	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(NCH)	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H){2|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(NCH){1|N<2>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a])2(H){1|C<3>,1|H<1>,1|N<3>}	116.5285	0.144	2	116.5285	0.021	2	115.7377	0.855	62	117.3260	2.410	359	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(NCH)	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H){1|Br<1>,1|C<3>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(NCH){1|N<2>,2|H<1>}	C[6a](N[6a]C[6a])2(H){1|C<3>,1|H<1>,1|N<3>}	116.8090	0.000	1	116.8090	0.000	1	115.7377	0.855	62	117.3260	2.410	359	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(NC[6a]C)	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H){1|Br<1>,1|C<3>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(NC[6a]C){1|H<1>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(H){1|C<3>,2|N<3>}	116.2378	0.434	4	116.2378	0.188	4	115.7377	0.855	62	117.3260	2.410	359	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCC)	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H){1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCC){1|H<1>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(H){1|C<3>,2|N<3>}	115.5930	0.000	1	115.5930	0.000	1	115.7377	0.855	62	117.3260	2.410	359	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH)	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H){1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH){1|H<1>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(H){1|C<3>,2|N<3>}	114.8477	0.454	3	115.0194	0.158	5	115.7377	0.855	62	117.3260	2.410	359	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH)	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H){1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH){1|H<1>,2|N<2>}	C[6a](N[6a]C[6a])2(H){1|C<3>,1|N<2>,1|N<3>}	115.2770	0.018	2	115.0194	0.158	5	115.7377	0.855	62	117.3260	2.410	359	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[5]H)	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H){1|C<2>,1|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[5]H){1|Cl<1>,1|H<1>,1|N<2>}	C[6a](N[6a]C[6a])2(H){1|Cl<1>,1|C<3>,1|N<3>}	117.0880	0.139	2	117.0880	0.019	2	115.7377	0.855	62	117.3260	2.410	359	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C)	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H){1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C){1|Cl<1>,1|H<1>,1|N<2>}	C[6a](N[6a]C[6a])2(H){1|Cl<1>,1|C<3>,1|N<3>}	117.3090	0.493	3	116.6081	0.505	8	115.7377	0.855	62	117.3260	2.410	359	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C)	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H){1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C){1|H<1>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(H){1|C<3>,2|N<3>}	116.0125	0.162	4	116.6081	0.505	8	115.7377	0.855	62	117.3260	2.410	359	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C)	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H){1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C){1|H<1>,1|N<2>,1|O<2>}	C[6a](N[6a]C[6a])2(H){1|C<3>,1|N<3>,1|O<2>}	116.8880	0.000	1	116.6081	0.505	8	115.7377	0.855	62	117.3260	2.410	359	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H)	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H){2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H){1|H<1>,2|N<2>}	C[6a](N[6a]C[6a])2(H){1|C<3>,1|N<2>,1|N<3>}	116.0820	0.000	1	116.0820	0.000	1	115.7377	0.855	62	117.3260	2.410	359	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH)	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H){1|C<2>,1|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH){1|H<1>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(H){1|C<3>,2|N<3>}	114.6900	0.000	1	114.6900	0.000	1	115.7377	0.855	62	117.3260	2.410	359	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHN)	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H){1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHN){1|H<1>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(H){1|C<3>,2|N<3>}	114.0770	0.120	2	114.0770	0.014	2	115.7377	0.855	62	117.3260	2.410	359	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(NC[6a]C)	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H){1|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(NC[6a]C){1|H<1>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(H){1|C<3>,2|N<3>}	116.1757	1.064	4	116.1757	1.131	4	115.7377	0.855	62	117.3260	2.410	359	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(NC[6a]C)	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H){1|C<3>,1|F<1>}	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(NC[6a]C){1|H<1>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(H){1|C<3>,2|N<3>}	115.9165	0.284	2	115.9165	0.080	2	115.7377	0.855	62	117.3260	2.410	359	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCN)	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCN){1|H<1>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(H){1|C<3>,2|N<3>}	114.9817	0.185	3	114.9817	0.034	3	115.7377	0.855	62	117.3260	2.410	359	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C)	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C){1|H<1>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(H){1|C<3>,2|N<3>}	115.1659	0.621	16	115.1659	0.386	16	115.7377	0.855	62	117.3260	2.410	359	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCC)	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H){1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCC){1|Cl<1>,1|H<1>,1|N<2>}	C[6a](N[6a]C[6a])2(H){1|Cl<1>,1|C<3>,1|N<3>}	114.3570	0.000	1	114.3570	0.000	1	115.7377	0.855	62	117.3260	2.410	359	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH)	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H){1|C<3>,1|N<2>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH){1|H<1>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(H){1|C<3>,2|N<3>}	117.0090	0.000	1	117.0090	0.000	1	115.7377	0.855	62	117.3260	2.410	359	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]C)	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H){1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]C){1|Cl<1>,1|H<1>,1|N<2>}	C[6a](N[6a]C[6a])2(H){1|Cl<1>,1|C<3>,1|N<3>}	117.6400	0.000	1	116.5303	0.924	3	115.7377	0.855	62	117.3260	2.410	359	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]C)	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H){1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]C){1|H<1>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(H){1|C<3>,2|N<3>}	115.9755	0.039	2	116.5303	0.924	3	115.7377	0.855	62	117.3260	2.410	359	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]H)	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H){1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]H){1|H<1>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(H){1|C<3>,2|N<3>}	115.8270	0.047	2	115.8270	0.002	2	115.7377	0.855	62	117.3260	2.410	359	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH)	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H){1|C<3>,1|N<2>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH){1|H<1>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(H){1|C<3>,2|N<3>}	115.2500	0.000	1	115.7140	0.431	2	115.7377	0.855	62	117.3260	2.410	359	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH)	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H){1|C<3>,1|N<2>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH){1|N<2>,2|H<1>}	C[6a](N[6a]C[6a])2(H){1|C<3>,1|H<1>,1|N<3>}	116.1780	0.000	1	115.7140	0.431	2	115.7377	0.855	62	117.3260	2.410	359	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NHS)	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H){1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NHS){1|Cl<1>,1|H<1>,1|N<2>}	C[6a](N[6a]C[6a])2(H){1|Cl<1>,1|C<3>,1|N<3>}	116.0890	0.000	1	116.0890	0.000	1	115.7377	0.855	62	117.3260	2.410	359	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[5]-3:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[6a]N[5])(C[6a]N[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2)	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]N[5])(C[6a]N[6a]H){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2){1|C<3>,1|N<2>,2|N<3>,3|H<1>}	C[6a](N[6a]C[6a])2(H){1|C<3>,2|N<3>}	114.7399	0.270	7	114.7399	0.073	7	115.1561	1.449	8	117.3260	2.410	359	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[5]-3:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[6a]N[5])(C[6a]N[6a]H)	C[6a](C[6a]C[6a]N[5a])(N[6a]C[6a])(N[5]C[5]2)	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]N[5])(C[6a]N[6a]H){1|C<3>,1|N<3>,2|C<4>}	C[6a](C[6a]C[6a]N[5a])(N[6a]C[6a])(N[5]C[5]2){1|Cl<1>,1|N<2>,2|C<3>,3|C<4>,4|H<1>}	C[6a](N[6a]C[6a])2(H){1|Cl<1>,1|C<3>,1|N<3>}	118.0700	0.000	1	118.0700	0.000	1	115.1561	1.449	8	117.3260	2.410	359	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[6]-3:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[6]C[6]2)	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]H){1|C<2>,1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[6]C[6]2){1|N<2>,1|N<3>,2|C<4>,5|H<1>}	C[6a](N[6a]C[6a])2(H){1|C<3>,2|N<3>}	116.8660	0.000	1	116.8660	0.000	1	116.2750	0.699	2	117.3260	2.410	359	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[6]-3:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[6]C[6]2)	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]H){1|C<3>,1|H<1>,2|C<4>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[6]C[6]2){1|N<2>,1|N<3>,2|C<4>,5|H<1>}	C[6a](N[6a]C[6a])2(H){1|C<3>,2|N<3>}	115.6840	0.000	1	115.6840	0.000	1	116.2750	0.699	2	117.3260	2.410	359	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:1:	C[6a]-3:C[6a]-3:	N[5a,6a]-3:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]N[5a,6a]N)(C[6a]N[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[6a]N[5a,6a]N)(C[6a]N[6a]H){2|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH){1|C<3>,2|H<1>,2|N<2>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|N<2>,2|N<3>}	117.5420	0.000	1	117.5420	0.000	1	117.5420	0.000	1	117.3260	2.410	359	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:2:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:O-2:	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(OC)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]O){1|C<3>,1|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>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(OC){1|C<3>,2|N<3>}	118.6060	0.000	1	118.6060	0.000	1	118.6060	0.000	1	115.7708	1.331	83	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:2:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:S-2:	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]S)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(SC)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]S){2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH){1|H<1>,1|N<3>,1|S<2>,2|N<2>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(SC){1|C<3>,2|N<3>}	117.7160	0.000	1	117.7160	0.000	1	117.7160	0.000	1	115.7708	1.331	83	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:2:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:N[5]-3:	N[6a]-2:N[6a]-2:S-2:	N[6a](C[6a]C[5a,6a]N[5])(C[6a]N[6a]S)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(N[5]C[5]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(SC)	N[6a](C[6a]C[5a,6a]N[5])(C[6a]N[6a]S){2|C<3>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(N[5]C[5]2){1|N<3>,1|S<2>,2|C<4>,2|N<2>,5|H<1>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(SC){1|C<3>,1|N<2>,1|N<3>}	117.4135	0.415	2	117.5788	0.099	6	117.5788	0.099	6	115.7708	1.331	83	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:2:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:N[5]-3:	N[6a]-2:N[6a]-2:S-2:	N[6a](C[6a]C[5a,6a]N[5])(C[6a]N[6a]S)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(N[5]C[5]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(SC)	N[6a](C[6a]C[5a,6a]N[5])(C[6a]N[6a]S){2|C<3>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(N[5]C[5]2){1|N<3>,1|S<2>,2|C<4>,2|N<2>,5|H<1>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(SC){1|C<3>,2|N<3>}	117.6615	0.284	4	117.5788	0.099	6	117.5788	0.099	6	115.7708	1.331	83	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:S-2:	N[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]S)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NHH)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(SC)	N[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]S){2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|S<2>,2|N<2>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(SC){1|C<3>,1|N<2>,1|N<3>}	116.6050	0.000	1	117.3075	0.987	2	117.6663	0.880	3	115.7708	1.331	83	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:S-2:	N[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]S)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NHH)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(SC)	N[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]S){2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NHH){1|F<1>,1|N<2>,1|S<2>,2|C<3>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(SC){1|N<3>,2|C<3>}	118.0100	0.000	1	117.3075	0.987	2	117.6663	0.880	3	115.7708	1.331	83	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:S-2:	N[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]S)	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a])(NCC)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(SC)	N[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]S){1|C<3>,1|N<2>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a])(NCC){1|N<2>,1|S<2>,2|C<3>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(SC){1|N<3>,2|C<3>}	118.3840	0.000	1	118.3840	0.000	1	117.6663	0.880	3	115.7708	1.331	83	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	N[6a]-2:N[6a]-2:S-2:	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCH)	C[6a](N[6a]C[6a])2(SC)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCH){1|C<3>,1|N<2>,1|S<2>}	C[6a](N[6a]C[6a])2(SC){3|C<3>}	115.4483	0.214	6	115.4483	0.046	6	115.3907	0.048	8	115.7708	1.331	83	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	N[6a]-2:N[6a]-2:S-2:	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CCN)	C[6a](N[6a]C[6a])(N[6a]N[6a])(SC)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S){1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CCN){1|N<2>,1|S<2>}	C[6a](N[6a]C[6a])(N[6a]N[6a])(SC){2|C<3>}	115.2180	0.163	2	115.2180	0.026	2	115.3907	0.048	8	115.7708	1.331	83	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C[6]-3:	N[6a]-2:N[6a]-2:S-2:	N[6a](C[6a]C[6a]C[6])(C[6a]N[6a]S)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]C[6]2)	C[6a](N[6a]C[6a])2(SC)	N[6a](C[6a]C[6a]C[6])(C[6a]N[6a]S){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]C[6]2){1|C<3>,1|N<2>,1|N<3>,1|S<2>,3|H<1>}	C[6a](N[6a]C[6a])2(SC){1|H<1>,2|C<3>}	117.3210	0.000	1	116.7623	0.235	3	116.7623	0.235	3	115.7708	1.331	83	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C[6]-3:	N[6a]-2:N[6a]-2:S-2:	N[6a](C[6a]C[6a]C[6])(C[6a]N[6a]S)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]C[6]2)	C[6a](N[6a]C[6a])2(SC)	N[6a](C[6a]C[6a]C[6])(C[6a]N[6a]S){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]C[6]2){1|N<2>,1|S<2>,2|C<3>,3|H<1>}	C[6a](N[6a]C[6a])2(SC){1|H<1>,2|C<3>}	116.4830	0.042	2	116.7623	0.235	3	116.7623	0.235	3	115.7708	1.331	83	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:N-2:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H)	C[6a](N[6a]C[6a])2(NC)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H){1|O<2>,2|N<2>}	C[6a](N[6a]C[6a])2(NC){1|C<3>,1|N<3>,1|O<2>}	116.1060	0.212	2	116.1060	0.045	2	116.1893	0.043	3	115.7708	1.331	83	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:N-2:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(NHH)	C[6a](N[6a]C[6a])(N[6a]N[6a])(NH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){1|C<3>,1|N<2>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(NHH){2|C<3>,2|N<2>}	C[6a](N[6a]C[6a])(N[6a]N[6a])(NH){1|C<3>,1|N<3>}	116.3560	0.000	1	116.3560	0.000	1	116.1893	0.043	3	115.7708	1.331	83	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:O-2:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C[6a](N[6a]C[6a])2(OC)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|N<2>,2|O<2>}	C[6a](N[6a]C[6a])2(OC){1|C<3>,1|N<3>,1|O<2>}	115.3085	0.763	2	115.3085	0.582	2	115.3870	1.603	9	115.7708	1.331	83	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:O-2:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	C[6a](N[6a]C[6a])2(OC)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|N<2>,2|O<2>}	C[6a](N[6a]C[6a])2(OC){1|C<3>,1|N<3>,1|O<2>}	115.0440	0.000	1	115.0440	0.000	1	115.3870	1.603	9	115.7708	1.331	83	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:O-2:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	C[6a](N[6a]C[6a])2(OC[6a])	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|H<1>,1|N<2>,1|O<2>}	C[6a](N[6a]C[6a])2(OC[6a]){1|C<3>,1|H<1>,1|N<3>}	115.6370	0.000	1	115.6370	0.000	1	115.3870	1.603	9	115.7708	1.331	83	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:O-2:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHN)	C[6a](N[6a]C[6a])2(OC)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHN){1|N<2>,1|N<3>,1|O<2>}	C[6a](N[6a]C[6a])2(OC){1|C<3>,2|N<3>}	113.6380	0.049	2	113.6380	0.002	2	115.3870	1.603	9	115.7708	1.331	83	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:O-2:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH)	C[6a](N[6a]C[6a])2(OC)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O){1|C<3>,1|N<2>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH){1|N<2>,2|O<2>}	C[6a](N[6a]C[6a])2(OC){1|C<3>,1|N<3>,1|O<2>}	115.7550	0.000	1	115.7550	0.000	1	115.3870	1.603	9	115.7708	1.331	83	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:O-2:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH)	C[6a](N[6a]C[6a])2(OC)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O){1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH){1|N<2>,2|O<2>}	C[6a](N[6a]C[6a])2(OC){1|C<3>,1|N<3>,1|O<2>}	117.0770	0.281	2	117.0770	0.079	2	115.3870	1.603	9	115.7708	1.331	83	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:S-2:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(NHH)	C[6a](N[6a]C[6a])2(SC)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S){2|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(NHH){1|N<2>,1|O<2>,1|S<2>,2|C<3>}	C[6a](N[6a]C[6a])2(SC){1|C<3>,1|N<3>,1|O<2>}	116.0870	0.000	1	116.0870	0.000	1	115.2499	0.405	45	115.7708	1.331	83	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:S-2:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H)	C[6a](N[6a]C[6a])2(SC)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S){1|C<2>,1|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H){1|C<4>,1|N<2>,1|S<2>}	C[6a](N[6a]C[6a])2(SC){1|C<3>,1|C<4>,1|N<3>}	116.2397	0.242	3	116.2397	0.058	3	115.2499	0.405	45	115.7708	1.331	83	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:S-2:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C[6a](N[6a]C[6a])2(SC)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|Cl<1>,1|N<2>,1|S<2>}	C[6a](N[6a]C[6a])2(SC){1|Cl<1>,1|C<3>,1|N<3>}	115.8647	0.165	3	115.6328	0.233	4	115.2499	0.405	45	115.7708	1.331	83	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:S-2:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C[6a](N[6a]C[6a])2(SC)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|N<2>,1|O<2>,1|S<2>}	C[6a](N[6a]C[6a])2(SC){1|C<3>,1|N<3>,1|O<2>}	114.9370	0.000	1	115.6328	0.233	4	115.2499	0.405	45	115.7708	1.331	83	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:S-2:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	C[6a](N[6a]C[6a])2(SC)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|N<2>,1|N<3>,1|S<2>}	C[6a](N[6a]C[6a])2(SC){1|C<3>,2|N<3>}	115.0030	0.329	27	115.0193	0.112	28	115.2499	0.405	45	115.7708	1.331	83	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:S-2:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	C[6a](N[6a]C[6a])2(SC)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|N<2>,1|O<2>,1|S<2>}	C[6a](N[6a]C[6a])2(SC){1|C<3>,1|N<3>,1|O<2>}	115.4570	0.000	1	115.0193	0.112	28	115.2499	0.405	45	115.7708	1.331	83	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:S-2:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	C[6a](N[6a]C[6a])2(SS)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|N<2>,1|N<3>,1|S<2>}	C[6a](N[6a]C[6a])2(SS){1|C<3>,2|N<3>}	114.6757	0.604	4	114.6757	0.364	4	115.2499	0.405	45	115.7708	1.331	83	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:S-2:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHN)	C[6a](N[6a]C[6a])2(SC)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHN){1|H<1>,1|N<2>,1|S<2>}	C[6a](N[6a]C[6a])2(SC){1|C<3>,1|H<1>,1|N<3>}	116.4380	0.000	1	116.4380	0.000	1	115.2499	0.405	45	115.7708	1.331	83	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:S-2:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH)	C[6a](N[6a]C[6a])2(SC)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S){1|C<3>,1|N<2>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH){1|N<2>,1|O<2>,1|S<2>}	C[6a](N[6a]C[6a])2(SC){1|C<3>,1|N<3>,1|O<2>}	116.6350	0.313	2	115.8067	1.067	4	115.2499	0.405	45	115.7708	1.331	83	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:S-2:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH)	C[6a](N[6a]C[6a])2(SC)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S){1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH){1|N<2>,1|N<3>,1|S<2>}	C[6a](N[6a]C[6a])2(SC){1|C<3>,2|N<3>}	114.9785	0.599	2	115.8067	1.067	4	115.2499	0.405	45	115.7708	1.331	83	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[6]-3:	N[6a]-2:N[6a]-2:O-2:	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[6]C[6]2)	C[6a](N[6a]C[6a])2(OC)	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]O){1|C<3>,1|H<1>,2|C<4>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[6]C[6]2){1|N<2>,1|N<3>,1|O<2>,2|C<4>,4|H<1>}	C[6a](N[6a]C[6a])2(OC){1|C<3>,2|N<3>}	115.5485	0.351	2	115.5485	0.124	2	115.5485	0.124	2	115.7708	1.331	83	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[6]-3:	N[6a]-2:N[6a]-2:S-2:	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]S)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[6]C[6]2)	C[6a](N[6a]C[6a])2(SC)	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]S){1|C<3>,1|H<1>,2|C<4>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[6]C[6]2){1|Cl<1>,1|N<2>,1|S<2>,2|C<4>,4|H<1>}	C[6a](N[6a]C[6a])2(SC){1|Cl<1>,1|C<3>,1|N<3>}	116.9510	0.000	1	116.9510	0.000	1	116.9510	0.000	1	115.7708	1.331	83	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:2:	C[6a]-3:C[6a]-3:	N[5a,6a]-3:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:N-2:	N[6a](C[6a]N[5a,6a]N)(C[6a]N[6a]N)	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NN)	N[6a](C[6a]N[5a,6a]N)(C[6a]N[6a]N){1|C<3>,1|N<2>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH){1|C<3>,3|N<2>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NN){1|N<2>,2|N<3>}	119.4250	0.000	1	119.4250	0.000	1	119.4250	0.000	1	115.7708	1.331	83	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:3:	C[6a]-3:C[6a]-3:	C[5,6a]-3:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[5,6a]N)(C[6a]N[6a]N)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(NHH)	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[5,6a]N)(C[6a]N[6a]N){1|C<3>,1|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(NHH){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<2>}	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(NHH){1|C<3>,1|N<3>,1|O<2>}	117.5140	0.000	1	117.5140	0.000	1	119.7660	10.143	2	117.0526	1.335	169	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:3:	C[6a]-3:C[6a]-3:	C[5,6a]-3:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[5,6a]N)(C[6a]N[6a]N)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(NHH)	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[5,6a]N)(C[6a]N[6a]N){1|C<3>,1|N<3>}	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(NHH){1|Co<6>,1|C<3>,1|N<2>,2|N<3>}	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(NHH){1|C<3>,2|N<3>}	122.0180	0.000	1	122.0180	0.000	1	119.7660	10.143	2	117.0526	1.335	169	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:3:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]N)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NC[6]C)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]N){2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NC[6]C){1|H<1>,2|N<2>,2|N<3>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH){1|C<3>,2|N<3>}	118.9900	0.000	1	118.9900	0.000	1	118.7675	0.180	28	117.0526	1.335	169	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:3:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]N)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NC[6a]C)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]N){2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NC[6a]C){1|H<1>,2|N<2>,2|N<3>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH){1|C<3>,2|N<3>}	118.9305	0.047	4	118.9305	0.002	4	118.7675	0.180	28	117.0526	1.335	169	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:3:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]N)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NC[6a]H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]N){2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NC[6a]H){1|H<1>,2|N<2>,2|N<3>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH){1|C<3>,2|N<3>}	118.9310	0.000	1	118.9310	0.000	1	118.7675	0.180	28	117.0526	1.335	169	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:3:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]N)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]N){2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH){1|Br<1>,2|N<2>,2|N<3>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH){1|C<3>,2|N<3>}	117.8890	0.000	1	117.7415	0.044	2	118.7675	0.180	28	117.0526	1.335	169	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:3:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]N)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]N){2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH){1|Cl<1>,1|C<3>,1|N<2>,2|N<3>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH){1|C<3>,2|N<3>}	117.5940	0.000	1	117.7415	0.044	2	118.7675	0.180	28	117.0526	1.335	169	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:3:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]N)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCC)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NCH)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]N){1|C<3>,1|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>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NCH){1|C<3>,2|N<3>}	119.7920	0.000	1	119.7920	0.000	1	118.7675	0.180	28	117.0526	1.335	169	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:3:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]N)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCC)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]N){1|C<3>,1|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>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH){1|C<3>,2|N<3>}	119.6590	0.000	1	119.6590	0.000	1	118.7675	0.180	28	117.0526	1.335	169	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:3:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]N)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NCC)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]N){1|C<3>,1|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>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NCC){1|C<3>,2|N<3>}	118.9850	0.000	1	118.9850	0.000	1	118.7675	0.180	28	117.0526	1.335	169	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:3:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]N)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NC[3]H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]N){1|C<3>,1|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>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH){1|C<3>,2|N<3>}	118.7920	0.054	2	118.7920	0.003	2	118.7675	0.180	28	117.0526	1.335	169	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:3:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]N)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NCC)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]N){1|C<3>,1|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>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NCC){1|C<3>,2|N<3>}	118.8520	0.273	3	118.8520	0.075	3	118.7675	0.180	28	117.0526	1.335	169	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:3:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]N)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]N){1|C<3>,1|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>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH){1|C<3>,2|N<3>}	118.6312	0.159	11	118.6491	0.027	12	118.7675	0.180	28	117.0526	1.335	169	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:3:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]N)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]N){1|C<3>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH){1|Rh<5>,1|C<3>,1|N<3>,2|N<2>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH){1|C<3>,1|N<2>,1|N<3>}	118.8460	0.000	1	118.6491	0.027	12	118.7675	0.180	28	117.0526	1.335	169	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:3:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:N[5]-3:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[5a,6a]N[5])(C[6a]N[6a]N)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(N[5]C[5]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[5a,6a]N[5])(C[6a]N[6a]N){2|C<3>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(N[5]C[5]2){2|C<4>,2|N<2>,2|N<3>,5|H<1>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH){1|C<3>,2|N<3>}	118.9930	0.455	2	118.9930	0.207	2	118.9930	0.207	2	117.0526	1.335	169	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]N)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NHH)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(NC[6a]H)	N[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]N){2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(NC[6a]H){1|C<3>,2|N<3>}	117.2380	0.000	1	117.2380	0.000	1	116.8347	0.223	6	117.0526	1.335	169	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]N)	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a])(NCH)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]N){1|C<3>,1|N<2>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a])(NCH){1|N<2>,1|N<3>,2|C<3>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(NCH){1|N<3>,2|C<3>}	117.1200	0.659	2	117.1200	0.434	2	116.8347	0.223	6	117.0526	1.335	169	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]N)	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a])(NHH)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]N){1|C<3>,1|N<2>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a])(NHH){1|C<3>,1|N<3>,2|N<2>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(NHH){1|C<3>,1|N<2>,1|N<3>}	116.5100	0.135	3	116.5100	0.018	3	116.8347	0.223	6	117.0526	1.335	169	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]O)	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]O){1|C<3>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(NHH){3|C<3>}	114.6340	0.000	1	114.6340	0.000	1	114.6340	0.000	1	117.0526	1.335	169	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C[6]-3:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]C[6])(C[6a]N[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]C[6]2)	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]C[6])(C[6a]N[6a]N){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]C[6]2){1|C<3>,1|C<4>,1|N<2>,2|H<1>,2|N<3>}	C[6a](N[6a]C[6a])2(NHH){1|C<4>,2|C<3>}	116.0500	0.000	1	115.9365	0.026	2	115.9365	0.026	2	117.0526	1.335	169	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C[6]-3:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]C[6])(C[6a]N[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]C[6]2)	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]C[6])(C[6a]N[6a]N){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]C[6]2){1|C<3>,1|N<2>,1|O<2>,2|H<1>,2|N<3>}	C[6a](N[6a]C[6a])2(NHH){1|O<2>,2|C<3>}	115.8230	0.000	1	115.9365	0.026	2	115.9365	0.026	2	117.0526	1.335	169	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(NC[5]H)	C[6a](N[6a]C[6a])2(NC[5]H)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){2|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(NC[5]H){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	C[6a](N[6a]C[6a])2(NC[5]H){1|C<3>,1|C<4>,1|N<3>}	116.0000	0.000	1	116.0000	0.000	1	116.6045	0.508	97	117.0526	1.335	169	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(NHH)	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){2|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(NHH){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	C[6a](N[6a]C[6a])2(NHH){1|C<3>,1|C<4>,1|N<3>}	116.5650	0.385	5	116.5650	0.148	5	116.6045	0.508	97	117.0526	1.335	169	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(NCH)	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){1|Br<1>,1|C<3>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(NCH){1|Cl<1>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(NHH){1|Cl<1>,1|C<3>,1|N<3>}	116.9270	0.000	1	116.9270	0.000	1	116.6045	0.508	97	117.0526	1.335	169	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(NC[6]H)	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){1|Br<1>,1|C<3>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(NC[6]H){1|C<4>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(NHH){1|C<3>,1|C<4>,1|N<3>}	116.4350	0.000	1	116.4350	0.000	1	116.6045	0.508	97	117.0526	1.335	169	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCC)	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCC){1|Cl<1>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(NHH){1|Cl<1>,1|C<3>,1|N<3>}	117.8855	0.371	2	117.0825	0.940	4	116.6045	0.508	97	117.0526	1.335	169	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCC)	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCC){1|N<2>,2|N<3>}	C[6a](N[6a]C[6a])2(NHH){1|C<3>,2|N<3>}	116.2795	0.323	2	117.0825	0.940	4	116.6045	0.508	97	117.0526	1.335	169	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH)	C[6a](N[6a]C[6a])2(NC[6a]C)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){1|C<2>,1|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH){1|N<2>,1|N<3>,1|O<2>}	C[6a](N[6a]C[6a])2(NC[6a]C){1|C<3>,1|N<3>,1|O<2>}	116.3990	0.000	1	116.3990	0.000	1	116.6045	0.508	97	117.0526	1.335	169	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH)	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH){1|Cl<1>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(NHH){1|Cl<1>,1|C<3>,1|N<3>}	116.5030	0.000	1	115.7023	0.241	7	116.6045	0.508	97	117.0526	1.335	169	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH)	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH){1|N<2>,2|N<3>}	C[6a](N[6a]C[6a])2(NHH){1|C<3>,2|N<3>}	115.5688	0.374	6	115.7023	0.241	7	116.6045	0.508	97	117.0526	1.335	169	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6]C)	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6]C){1|Cl<1>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(NHH){1|Cl<1>,1|C<3>,1|N<3>}	117.5160	0.000	1	117.5160	0.000	1	116.6045	0.508	97	117.0526	1.335	169	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6]H)	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6]H){1|Cl<1>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(NHH){1|Cl<1>,1|C<3>,1|N<3>}	116.8570	0.000	1	116.8570	0.000	1	116.6045	0.508	97	117.0526	1.335	169	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C)	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C){1|Cl<1>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(NHH){1|Cl<1>,1|C<3>,1|N<3>}	117.1834	0.357	5	116.5597	0.548	12	116.6045	0.508	97	117.0526	1.335	169	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C)	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C){1|N<2>,1|N<3>,1|O<2>}	C[6a](N[6a]C[6a])2(NHH){1|C<3>,1|N<3>,1|O<2>}	116.7770	0.000	1	116.5597	0.548	12	116.6045	0.508	97	117.0526	1.335	169	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C)	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C){1|N<2>,2|N<3>}	C[6a](N[6a]C[6a])2(NHH){1|C<3>,2|N<3>}	116.0037	0.579	6	116.5597	0.548	12	116.6045	0.508	97	117.0526	1.335	169	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H)	C[6a](N[6a]C[6a])2(NCC)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H){1|N<2>,1|N<3>,1|O<2>}	C[6a](N[6a]C[6a])2(NCC){1|C<3>,1|N<3>,1|O<2>}	115.5380	0.000	1	115.5380	0.000	1	116.6045	0.508	97	117.0526	1.335	169	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H)	C[6a](N[6a]C[6a])2(NCH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H){1|N<2>,1|N<3>,1|O<2>}	C[6a](N[6a]C[6a])2(NCH){1|C<3>,1|N<3>,1|O<2>}	115.6740	0.000	1	115.6740	0.000	1	116.6045	0.508	97	117.0526	1.335	169	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H)	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H){1|Cl<1>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(NHH){1|Cl<1>,1|C<3>,1|N<3>}	117.6500	0.000	1	116.9943	0.435	3	116.6045	0.508	97	117.0526	1.335	169	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H)	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H){1|N<2>,2|N<3>}	C[6a](N[6a]C[6a])2(NHH){1|C<3>,2|N<3>}	116.6665	0.474	2	116.9943	0.435	3	116.6045	0.508	97	117.0526	1.335	169	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH)	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH){1|H<1>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(NHH){1|C<3>,1|H<1>,1|N<3>}	117.1940	0.277	5	117.1940	0.077	5	116.6045	0.508	97	117.0526	1.335	169	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC)	C[6a](N[6a]C[6a])2(NCH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC){1|N<2>,1|N<3>,1|O<2>}	C[6a](N[6a]C[6a])2(NCH){1|C<3>,1|N<3>,1|O<2>}	116.6530	0.000	1	116.6530	0.000	1	116.6045	0.508	97	117.0526	1.335	169	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC)	C[6a](N[6a]C[6a])2(NC[6a]H)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC){1|Cl<1>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(NC[6a]H){1|Cl<1>,1|C<3>,1|N<3>}	117.1330	0.000	1	117.1330	0.000	1	116.6045	0.508	97	117.0526	1.335	169	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC)	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC){1|Cl<1>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(NHH){1|Cl<1>,1|C<3>,1|N<3>}	116.7812	0.395	4	116.7812	0.156	4	116.6045	0.508	97	117.0526	1.335	169	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|Cl<1>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(NHH){1|Cl<1>,1|C<3>,1|N<3>}	116.9770	0.000	1	116.9770	0.000	1	116.6045	0.508	97	117.0526	1.335	169	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C)	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C){1|Cl<1>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(NHH){1|Cl<1>,1|C<3>,1|N<3>}	116.3900	0.000	1	116.3900	0.000	1	116.6045	0.508	97	117.0526	1.335	169	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|Cl<1>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(NHH){1|Cl<1>,1|C<3>,1|N<3>}	118.6495	0.087	2	116.9545	0.805	15	116.6045	0.508	97	117.0526	1.335	169	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|H<1>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(NHH){1|C<3>,1|H<1>,1|N<3>}	117.0299	0.405	9	116.9545	0.805	15	116.6045	0.508	97	117.0526	1.335	169	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|N<2>,2|N<3>}	C[6a](N[6a]C[6a])2(NHH){1|C<3>,2|N<3>}	115.9375	0.058	4	116.9545	0.805	15	116.6045	0.508	97	117.0526	1.335	169	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH)	C[6a](N[6a]C[6a])2(NCH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){1|C<3>,1|N<2>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH){1|N<2>,1|N<3>,1|O<2>}	C[6a](N[6a]C[6a])2(NCH){1|C<3>,1|N<3>,1|O<2>}	116.5645	0.097	2	116.5645	0.009	2	116.6045	0.508	97	117.0526	1.335	169	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH)	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){1|C<3>,1|N<2>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH){1|N<2>,1|N<3>,1|O<2>}	C[6a](N[6a]C[6a])2(NHH){1|C<3>,1|N<3>,1|O<2>}	116.5090	0.500	10	116.4925	0.206	12	116.6045	0.508	97	117.0526	1.335	169	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH)	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){1|C<3>,1|N<2>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH){1|N<2>,2|N<3>}	C[6a](N[6a]C[6a])2(NHH){1|C<3>,2|N<3>}	116.4100	0.027	2	116.4925	0.206	12	116.6045	0.508	97	117.0526	1.335	169	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]H)	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){1|C<3>,1|N<2>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]H){1|N<2>,1|N<3>,1|O<2>}	C[6a](N[6a]C[6a])2(NHH){1|C<3>,1|N<3>,1|O<2>}	116.5073	0.617	6	116.5073	0.381	6	116.6045	0.508	97	117.0526	1.335	169	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(NHH)	C[6a](N[6a]C[6a])(N[6a]N[6a])(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){1|C<3>,1|N<2>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(NHH){1|N<2>,1|N<3>,2|C<3>}	C[6a](N[6a]C[6a])(N[6a]N[6a])(NHH){1|C<3>,1|N<3>}	116.3871	0.776	10	116.3871	0.602	10	116.6045	0.508	97	117.0526	1.335	169	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[5]-3:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]N[5])(C[6a]N[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2)	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]N[5])(C[6a]N[6a]N){1|C<3>,1|H<1>,2|C<4>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2){1|N<2>,2|C<4>,2|N<3>,4|H<1>}	C[6a](N[6a]C[6a])2(NHH){1|C<3>,2|N<3>}	115.3050	0.387	2	115.3050	0.150	2	115.3050	0.150	2	117.0526	1.335	169	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[5]-3:	N[6a]-2:N[6a]-2:N[5]-3:	N[6a](C[6a]C[6a]N[5])(C[6a]N[6a]N[5])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2)	C[6a](N[6a]C[6a])2(N[5]C[5]2)	N[6a](C[6a]C[6a]N[5])(C[6a]N[6a]N[5]){1|C<3>,1|H<1>,4|C<4>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2){1|N<2>,1|N<3>,3|C<4>,4|H<1>}	C[6a](N[6a]C[6a])2(N[5]C[5]2){1|C<3>,1|N<3>,3|C<4>,4|H<1>}	116.3070	0.000	1	116.3070	0.000	1	116.3070	0.000	1	117.0526	1.335	169	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[6]-3:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]N)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(N[6]C[6]2)	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]N){2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(N[6]C[6]2){1|N<2>,1|N<3>,1|S<2>,2|C<3>,2|C<4>,4|H<1>}	C[6a](N[6a]C[6a])2(NHH){1|C<3>,1|N<3>,1|S<2>}	116.5780	0.000	1	116.5780	0.000	1	116.7786	0.545	25	117.0526	1.335	169	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[6]-3:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]N)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(N[6]C[6]2)	C[6a](N[6a]C[6a])2(NCH)	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]N){1|Br<1>,1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(N[6]C[6]2){1|N<2>,1|N<3>,3|C<4>,4|H<1>}	C[6a](N[6a]C[6a])2(NCH){1|C<3>,1|C<4>,1|N<3>}	118.0270	0.000	1	118.0270	0.000	1	116.7786	0.545	25	117.0526	1.335	169	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[6]-3:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]N)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[6]C[6]2)	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]N){2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[6]C[6]2){1|Cl<1>,1|N<2>,1|N<3>,2|C<4>,4|H<1>}	C[6a](N[6a]C[6a])2(NHH){1|Cl<1>,1|C<3>,1|N<3>}	117.4770	0.638	3	116.5946	0.592	9	116.7786	0.545	25	117.0526	1.335	169	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[6]-3:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]N)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[6]C[6]2)	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]N){2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[6]C[6]2){1|N<2>,2|C<4>,2|N<3>,4|H<1>}	C[6a](N[6a]C[6a])2(NHH){1|C<3>,2|N<3>}	116.1533	0.290	6	116.5946	0.592	9	116.7786	0.545	25	117.0526	1.335	169	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[6]-3:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[6]C[6]2)	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]N){1|C<3>,1|H<1>,2|C<4>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[6]C[6]2){1|Cl<1>,1|N<2>,1|N<3>,2|C<4>,4|H<1>}	C[6a](N[6a]C[6a])2(NHH){1|Cl<1>,1|C<3>,1|N<3>}	117.2007	0.160	6	116.8735	0.514	11	116.7786	0.545	25	117.0526	1.335	169	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[6]-3:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[6]C[6]2)	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]N){1|C<3>,1|H<1>,2|C<4>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[6]C[6]2){1|N<2>,1|N<3>,1|O<2>,2|C<4>,4|H<1>}	C[6a](N[6a]C[6a])2(NHH){1|C<3>,1|N<3>,1|O<2>}	117.3930	0.257	2	116.8735	0.514	11	116.7786	0.545	25	117.0526	1.335	169	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[6]-3:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[6]C[6]2)	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]N){1|C<3>,1|H<1>,2|C<4>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[6]C[6]2){1|N<2>,1|N<3>,3|C<4>,4|H<1>}	C[6a](N[6a]C[6a])2(NHH){1|C<3>,1|C<4>,1|N<3>}	116.5710	0.000	1	116.8735	0.514	11	116.7786	0.545	25	117.0526	1.335	169	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[6]-3:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[6]C[6]2)	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]N){1|C<3>,1|H<1>,2|C<4>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[6]C[6]2){1|N<2>,2|C<4>,2|N<3>,4|H<1>}	C[6a](N[6a]C[6a])2(NHH){1|C<3>,2|N<3>}	115.5240	0.177	2	116.8735	0.514	11	116.7786	0.545	25	117.0526	1.335	169	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[6]-3:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]N)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(N[6]C[6]2)	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]N){1|C<3>,1|N<2>,2|C<4>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(N[6]C[6]2){1|N<2>,1|N<3>,1|O<2>,2|C<4>,4|H<1>}	C[6a](N[6a]C[6a])2(NHH){1|C<3>,1|N<3>,1|O<2>}	117.3760	0.000	1	116.6337	0.567	3	116.7786	0.545	25	117.0526	1.335	169	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[6]-3:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]N)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(N[6]C[6]2)	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]N){1|C<3>,1|N<2>,2|C<4>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(N[6]C[6]2){1|N<2>,2|C<4>,2|N<3>,4|H<1>}	C[6a](N[6a]C[6a])2(NHH){1|C<3>,2|N<3>}	116.2625	0.554	2	116.6337	0.567	3	116.7786	0.545	25	117.0526	1.335	169	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:3:	C[6a]-3:C[6a]-3:	N[5a,6a]-3:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]N[5a,6a]N)(C[6a]N[6a]N)	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCC)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH)	N[6a](C[6a]N[5a,6a]N)(C[6a]N[6a]N){1|C<3>,1|N<2>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCC){1|C<3>,1|N<3>,2|N<2>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH){1|N<2>,2|N<3>}	118.9150	0.000	1	118.9150	0.000	1	118.0965	1.340	2	117.0526	1.335	169	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:3:	C[6a]-3:C[6a]-3:	N[5a,6a]-3:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]N[5a,6a]N)(C[6a]N[6a]N)	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH)	N[6a](C[6a]N[5a,6a]N)(C[6a]N[6a]N){1|C<3>,1|N<2>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH){1|C<3>,1|N<3>,2|N<2>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH){1|N<2>,2|N<3>}	117.2780	0.000	1	117.2780	0.000	1	118.0965	1.340	2	117.0526	1.335	169	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:3:	C[6a]-3:C[6a]-3:	N[6a,6a]-3:N[6a]-2:C-3:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]N[6a,6a]C)(C[6a]N[6a]N)	C[6a](N[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CCH)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(NCC)	N[6a](C[6a]N[6a,6a]C)(C[6a]N[6a]N){2|C<3>}	C[6a](N[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CCH){1|C<3>,1|N<3>,1|O<1>,2|N<2>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(NCC){1|C<3>,1|N<2>,1|N<3>}	118.1460	0.000	1	118.1460	0.000	1	118.1460	0.000	1	117.0526	1.335	169	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:4:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:C-4:	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NCC)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(CH3)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]C){2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NCC){1|C<3>,1|N<2>,1|N<3>,2|C<4>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(CH3){1|C<3>,2|N<3>}	119.0670	0.000	1	119.0670	0.000	1	119.5545	0.475	2	117.1502	2.366	36	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:4:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:C-4:	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(CH3)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]C){1|C<3>,1|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>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(CH3){1|C<3>,1|N<3>,1|O<2>}	120.0420	0.000	1	120.0420	0.000	1	119.5545	0.475	2	117.1502	2.366	36	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	N[6a]-2:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)(C[6a]N[6a]C)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(COO)	C[6a](N[6a]C[6a])2(CCCN)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]C){1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(COO){1|C<4>,1|N<2>,1|O<2>}	C[6a](N[6a]C[6a])2(CCCN){1|O<2>,2|C<3>}	116.3530	0.018	2	116.3530	0.000	2	116.3530	0.000	2	117.1502	2.366	36	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C[6]-3:	N[6a]-2:N[6a]-2:S-4:	N[6a](C[6a]C[6a]C[6])(C[6a]N[6a]S)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]C[6]2)	C[6a](N[6a]C[6a])2(SCOO)	N[6a](C[6a]C[6a]C[6])(C[6a]N[6a]S){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]C[6]2){1|C<3>,1|N<2>,1|N<3>,1|S<4>,3|H<1>}	C[6a](N[6a]C[6a])2(SCOO){1|H<1>,2|C<3>}	115.5970	0.000	1	115.5970	0.000	1	115.9520	0.252	2	117.1502	2.366	36	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C[6]-3:	N[6a]-2:N[6a]-2:S-4:	N[6a](C[6a]C[6a]C[6])(C[6a]N[6a]S)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]C[6]2)	C[6a](N[6a]C[6a])2(SO3)	N[6a](C[6a]C[6a]C[6])(C[6a]N[6a]S){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]C[6]2){1|N<2>,1|S<4>,2|C<3>,3|H<1>}	C[6a](N[6a]C[6a])2(SO3){1|H<1>,2|C<3>}	116.3070	0.000	1	116.3070	0.000	1	115.9520	0.252	2	117.1502	2.366	36	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:C-4:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]C)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C)	C[6a](N[6a]C[6a])2(CH3)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]C){1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C){1|C<4>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(CH3){1|C<3>,2|N<3>}	116.7445	1.309	2	116.7445	1.713	2	117.0187	2.641	25	117.1502	2.366	36	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:C-4:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]C)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH)	C[6a](N[6a]C[6a])2(CH3)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]C){1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH){1|C<4>,1|H<1>,1|N<2>}	C[6a](N[6a]C[6a])2(CH3){1|C<3>,1|H<1>,1|N<3>}	118.7278	1.142	4	118.7278	1.305	4	117.0187	2.641	25	117.1502	2.366	36	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:C-4:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]C)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(NHH)	C[6a](N[6a]C[6a])2(CH3)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]C){1|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(NHH){1|N<2>,2|C<4>}	C[6a](N[6a]C[6a])2(CH3){1|C<3>,1|C<4>,1|N<3>}	118.0557	0.419	10	118.0557	0.176	10	117.0187	2.641	25	117.1502	2.366	36	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:C-4:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]C)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCN)	C[6a](N[6a]C[6a])2(CH3)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]C){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCN){1|C<4>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(CH3){1|C<3>,2|N<3>}	115.6290	0.255	5	115.6290	0.065	5	117.0187	2.641	25	117.1502	2.366	36	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:C-4:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]C)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H)	C[6a](N[6a]C[6a])2(CF3)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]C){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H){1|N<2>,2|C<4>}	C[6a](N[6a]C[6a])2(CF3){1|C<3>,1|C<4>,1|N<3>}	114.5915	0.193	4	114.5915	0.037	4	117.0187	2.641	25	117.1502	2.366	36	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:4:	C[6a]-3:C[6a]-3:	N[5a,6a]-3:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:C-4:	N[6a](C[6a]N[5a,6a]N)(C[6a]N[6a]C)	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(CCHH)	N[6a](C[6a]N[5a,6a]N)(C[6a]N[6a]C){2|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(CCHH){1|N<2>,2|N<3>}	118.0633	0.113	3	118.0633	0.013	3	118.0633	0.013	3	117.1502	2.366	36	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:2:4:	C[6a]-3:C[6a]-3:	N[6a,6a]-3:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:C-4:	N[6a](C[6a]N[6a,6a]N)(C[6a]N[6a]C)	C[6a](N[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NHH)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(CH3)	N[6a](C[6a]N[6a,6a]N)(C[6a]N[6a]C){2|C<3>}	C[6a](N[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NHH){1|C<3>,1|C<4>,1|O<1>,2|N<2>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(CH3){1|N<2>,2|N<3>}	117.0150	0.000	2	117.0150	0.000	2	117.0150	0.000	2	117.1502	2.366	36	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:3:2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:C-3:	N[6a]-2:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CC[6a]C)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]C){4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CC[6a]C){1|H<1>,1|N<2>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]){2|H<1>,5|C<3>}	117.1947	0.106	6	117.1947	0.011	6	117.1947	0.011	6	117.5510	0.341	14	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:3:2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:N-3:	N[6a]-2:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]N)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NCH)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]N){4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NCH){1|H<1>,1|N<2>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	118.0770	0.000	1	118.0770	0.000	1	117.8183	0.436	8	117.5510	0.341	14	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:3:2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:N-3:	N[6a]-2:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]N)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NC[6a]H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]N){4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NC[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	117.9150	0.000	1	117.9150	0.000	1	117.8183	0.436	8	117.5510	0.341	14	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:3:2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:N-3:	N[6a]-2:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]N)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NHH)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]N){4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NHH){1|F<1>,1|N<2>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	118.3000	1.335	2	117.7590	0.591	6	117.8183	0.436	8	117.5510	0.341	14	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:3:2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:N-3:	N[6a]-2:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]N)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NHH)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]N){4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NHH){1|H<1>,1|N<2>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	117.7080	0.146	2	117.7590	0.591	6	117.8183	0.436	8	117.5510	0.341	14	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	2:3:2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:N-3:	N[6a]-2:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]N)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NHH)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]N){4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NHH){1|N<2>,1|O<1>,1|O<2>,2|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	117.2690	0.280	2	117.7590	0.591	6	117.8183	0.436	8	117.5510	0.341	14	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[5,6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[5,6a]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(N[6a]C[6a])(COO)	C[6a](C[6a]C[5,6a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5,6a]C)(C[6a]C[6a]H){3|C<3>}	C[6a](C[5,6a]C[5,6a]2)(N[6a]C[6a])(COO){1|H<1>,4|C<3>}	C[6a](C[6a]C[5,6a]C[6a])(N[6a]C[6a])(H){5|C<3>}	117.6030	0.000	1	117.6030	0.000	1	117.6030	0.000	1	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CC[6a]O)	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CC[6a]O){2|H<1>,3|C<3>}	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(H){3|C<3>}	118.3925	0.439	4	118.3925	0.193	4	118.4537	0.146	6	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CNO)	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CNO){2|H<1>,3|C<3>}	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(H){3|C<3>}	118.5760	0.327	2	118.5760	0.107	2	118.4537	0.146	6	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:Cl-1:	N[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]Cl)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH)	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]Cl){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH){1|Cl<1>,1|N<3>,2|C<3>}	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(Cl){1|C<3>,2|N<3>}	118.2930	0.000	1	118.2930	0.000	1	118.0823	0.107	3	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:Cl-1:	N[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]Cl)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHS)	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]Cl){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHS){1|Cl<1>,1|N<3>,2|C<3>}	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(Cl){1|C<3>,2|N<3>}	117.9770	0.385	2	117.9770	0.148	2	118.0823	0.107	3	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH)	C[6a](C[6a]C[5a,6a]N)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]H){1|C<3>,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>}	C[6a](C[6a]C[5a,6a]N)(N[6a]C[6a])(H){1|C<3>,2|N<3>}	116.8600	0.000	1	116.8600	0.000	1	116.8600	0.000	1	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:N-3:	N[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCC)	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H){1|C<3>,1|C<4>,1|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>}	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a])(H){1|C<3>,1|N<2>,1|N<3>}	119.6650	0.000	1	119.6650	0.000	1	119.4970	0.056	2	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:N-3:	N[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH)	C[6a](N[6a]C[5a,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H){1|C<3>,1|H<1>,1|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>}	C[6a](N[6a]C[5a,6a]H)(N[6a]C[6a])(H){1|C<3>,1|N<2>,1|N<3>}	119.3290	0.000	1	119.3290	0.000	1	119.4970	0.056	2	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:N-3:	N[6a]-3:N[6a]-2:O-1:	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH)	C[6a](N[6a]C[5a,6a]C[5])(N[6a]C[6a])(O)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]O){1|C<4>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|S<2>}	C[6a](N[6a]C[5a,6a]C[5])(N[6a]C[6a])(O){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	122.1270	0.000	1	122.1270	0.000	1	121.4248	0.362	5	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:N-3:	N[6a]-3:N[6a]-2:O-1:	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH)	C[6a](N[6a]C[5a,6a]H)(N[6a]C[6a])(O)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]O){1|C<3>,1|H<1>,1|N<2>}	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>}	C[6a](N[6a]C[5a,6a]H)(N[6a]C[6a])(O){1|N<3>,2|C<3>}	121.2493	0.527	4	121.2493	0.277	4	121.4248	0.362	5	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[5a,6a]N[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(N[5]C[5]2)	C[6a](C[6a]C[5a,6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,3|C<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>}	C[6a](C[6a]C[5a,6a]C)(N[6a]C[6a])(H){1|C<3>,2|N<3>}	120.0280	0.000	1	120.0280	0.000	1	120.0280	0.000	1	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:N[6]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[5a,6a]N[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a])(N[6]C[6]2)	C[6a](C[6a]N[5a,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]N[6])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,2|C<4>}	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>}	C[6a](C[6a]N[5a,6a]H)(N[6a]C[6a])(H){1|N<3>,2|C<3>}	119.5960	0.000	1	119.5960	0.000	1	119.5960	0.000	1	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:N[6]-3:	N[6a]-3:N[6a]-2:O-1:	N[6a](C[6a]C[5a,6a]N[6])(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(N[6]C[6]2)	C[6a](N[6a]C[5a,6a]C[6a])(N[6a]C[6a])(O)	N[6a](C[6a]C[5a,6a]N[6])(C[6a]N[6a]O){1|N<2>,2|C<3>,2|C<4>}	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>}	C[6a](N[6a]C[5a,6a]C[6a])(N[6a]C[6a])(O){1|N<2>,1|N<3>,3|C<3>}	123.8460	0.000	1	123.8460	0.000	1	123.8460	0.000	1	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CCH)	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CCH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(H){3|C<3>}	123.7620	0.000	1	123.7620	0.000	1	118.8851	3.867	10	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CC[6a]O)	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CC[6a]O){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(H){3|C<3>}	117.2340	0.088	2	117.2340	0.008	2	118.8851	3.867	10	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CNO)	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CNO){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(H){3|C<3>}	117.8760	0.000	1	118.0530	0.570	4	118.8851	3.867	10	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CNO)	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CNO){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(H){3|C<3>}	118.1120	0.913	3	118.0530	0.570	4	118.8851	3.867	10	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(COO)	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(COO){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(H){3|C<3>}	119.4697	0.163	3	119.4697	0.027	3	118.8851	3.867	10	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:N-3:	N[6a]-3:N[6a]-2:O-1:	N[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NCC)	C[6a](N[6a]C[6a,6a]C)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]O){1|C<4>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NCC){1|N<3>,1|O<1>,1|O<2>,2|N<2>}	C[6a](N[6a]C[6a,6a]C)(N[6a]C[6a])(O){1|C<3>,1|N<2>,1|N<3>}	119.5345	0.359	2	119.5345	0.129	2	119.5345	0.129	2	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:Br-1:	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br){1|H<1>,2|C<3>}	116.3370	0.000	1	116.3370	0.000	1	116.3999	0.459	11	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:Br-1:	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]H){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br){1|H<1>,2|C<3>}	117.0510	0.000	1	117.0510	0.000	1	116.3999	0.459	11	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:Br-1:	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]H){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br){1|H<1>,2|C<3>}	116.6680	0.000	1	116.6680	0.000	1	116.3999	0.459	11	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:Br-1:	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]N){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br){1|H<1>,2|C<3>}	115.7980	0.833	2	115.7980	0.694	2	116.3999	0.459	11	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:Br-1:	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br){1|H<1>,2|C<3>}	116.6780	0.388	3	116.6780	0.150	3	116.3999	0.459	11	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:Br-1:	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHO)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHO){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br){1|H<1>,2|C<3>}	117.0580	0.000	1	117.0580	0.000	1	116.3999	0.459	11	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:Br-1:	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br){1|H<1>,2|C<3>}	115.8275	1.023	2	115.8275	1.047	2	116.3999	0.459	11	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:Cl-1:	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(CNO)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(CNO){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl){1|H<1>,2|C<3>}	118.2095	0.763	4	118.2095	0.583	4	117.6862	0.770	14	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:Cl-1:	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(CN[5a]O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(CN[5a]O){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl){1|H<1>,2|C<3>}	117.4190	0.000	1	117.4190	0.000	1	117.6862	0.770	14	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:Cl-1:	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(COO)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(COO){1|Cl<1>,1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(Cl){1|N<3>,2|C<3>}	116.3530	0.000	1	116.3530	0.000	1	117.6862	0.770	14	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:Cl-1:	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNN){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl){1|H<1>,2|C<3>}	117.0077	0.237	3	117.0077	0.056	3	117.6862	0.770	14	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:Cl-1:	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl){1|H<1>,2|C<3>}	116.8630	0.000	1	116.8630	0.000	1	117.6862	0.770	14	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:Cl-1:	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Cl){1|H<1>,2|C<3>}	117.1640	0.000	1	117.1640	0.000	1	117.6862	0.770	14	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:Cl-1:	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(CNO)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C){1|N<2>,2|N<3>}	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(CNO){1|Cl<1>,1|C<3>}	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(Cl){2|C<3>}	118.6490	0.208	3	118.6490	0.043	3	117.6862	0.770	14	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:F-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]F)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(F)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]F){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(F){1|H<1>,2|C<3>}	115.6810	0.000	1	115.6810	0.000	1	115.6810	0.000	1	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(CC[6a]O)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){3|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(CC[6a]O){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H){1|H<1>,4|C<3>}	117.6485	0.336	2	117.6485	0.113	2	116.9756	0.870	1043	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(CN[4]O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(CN[4]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	117.7110	0.902	2	117.7110	0.814	2	116.9756	0.870	1043	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|O<2>,2|C<3>}	117.7960	0.000	1	117.7960	0.000	1	116.9756	0.870	1043	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	117.2440	0.000	1	117.2440	0.000	1	116.9756	0.870	1043	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CC[6a]O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CC[6a]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	116.6590	0.000	1	116.6590	0.000	1	116.9756	0.870	1043	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CHN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	117.8440	0.000	1	117.8880	0.004	2	116.9756	0.870	1043	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CHN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	117.9320	0.000	1	117.8880	0.004	2	116.9756	0.870	1043	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CNO)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CNO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	117.4950	0.000	1	118.2914	0.267	5	116.9756	0.870	1043	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CNO)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CNO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	118.2900	0.082	2	118.2914	0.267	5	116.9756	0.870	1043	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CNO)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CNO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	118.6910	0.331	2	118.2914	0.267	5	116.9756	0.870	1043	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(COO)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(COO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	119.3494	0.912	7	119.3494	0.832	7	116.9756	0.870	1043	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(CHN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(CHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	118.1215	0.245	2	118.1215	0.060	2	116.9756	0.870	1043	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	117.6224	0.543	15	117.6224	0.295	15	116.9756	0.870	1043	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	117.5817	0.584	59	117.5817	0.341	59	116.9756	0.870	1043	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	118.4470	0.000	1	118.4470	0.000	1	116.9756	0.870	1043	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<4>,2|C<3>}	116.6190	0.000	1	117.5267	0.484	74	116.9756	0.870	1043	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	117.5427	0.697	72	117.5267	0.484	74	116.9756	0.870	1043	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){3|C<3>}	117.2810	0.000	1	117.5267	0.484	74	116.9756	0.870	1043	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCO)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCO){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<2>,2|C<3>}	116.8900	0.000	1	116.7543	0.159	45	116.9756	0.870	1043	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCO)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	116.7470	0.406	43	116.7543	0.159	45	116.9756	0.870	1043	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCO)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCO){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){3|C<3>}	116.9320	0.000	1	116.7543	0.159	45	116.9756	0.870	1043	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCS)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	118.0130	0.573	3	118.0130	0.329	3	116.9756	0.870	1043	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[4]O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[4]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	116.6240	0.199	2	116.6240	0.040	2	116.9756	0.870	1043	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	116.2410	0.556	2	116.2410	0.309	2	116.9756	0.870	1043	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]C)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	117.3400	0.000	1	117.3400	0.000	1	116.9756	0.870	1043	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	117.5474	0.551	13	117.5474	0.304	13	116.9756	0.870	1043	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]I)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]I){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	116.8235	0.788	2	116.8235	0.622	2	116.9756	0.870	1043	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	116.9930	0.000	1	116.9930	0.000	1	116.9756	0.870	1043	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5a]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	117.2025	0.665	2	117.2025	0.443	2	116.9756	0.870	1043	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5a]O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5a]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	116.9800	1.104	4	116.9800	1.218	4	116.9756	0.870	1043	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	118.1558	0.943	22	118.1558	0.890	22	116.9756	0.870	1043	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	116.8219	0.479	10	116.8219	0.229	10	116.9756	0.870	1043	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]C)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	117.2921	0.853	8	117.2921	0.727	8	116.9756	0.870	1043	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	117.7175	0.735	38	117.7175	0.541	38	116.9756	0.870	1043	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	116.4420	0.557	3	116.4420	0.310	3	116.9756	0.870	1043	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	117.9870	0.000	1	117.9870	0.000	1	116.9756	0.870	1043	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	117.3202	0.468	5	117.3202	0.219	5	116.9756	0.870	1043	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<4>,2|C<3>}	117.1740	0.000	1	117.2192	0.769	108	116.9756	0.870	1043	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	117.2196	0.881	107	117.2192	0.769	108	116.9756	0.870	1043	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHO)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	117.2040	0.000	1	117.2040	0.000	1	116.9756	0.870	1043	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	117.4060	0.201	2	117.4060	0.040	2	116.9756	0.870	1043	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CIrC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CIrC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	115.0350	0.000	1	115.0350	0.000	1	116.9756	0.870	1043	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	117.0961	0.469	41	117.0961	0.220	41	116.9756	0.870	1043	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H){1|H<1>,4|C<3>}	116.6330	0.020	2	116.6330	0.000	2	116.9756	0.870	1043	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	117.7410	0.107	2	117.0893	0.192	9	116.9756	0.870	1043	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	116.9031	0.270	7	117.0893	0.192	9	116.9756	0.870	1043	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<4>,2|C<3>}	115.4630	0.113	2	116.7730	0.247	205	116.9756	0.870	1043	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|O<2>,2|C<3>}	116.0914	0.294	8	116.7730	0.247	205	116.9756	0.870	1043	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|S<2>,2|C<3>}	115.2917	0.263	3	116.7730	0.247	205	116.9756	0.870	1043	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	116.8360	0.431	189	116.7730	0.247	205	116.9756	0.870	1043	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|Cl<1>,2|C<3>}	116.9783	0.205	3	116.7730	0.247	205	116.9756	0.870	1043	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNS)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	117.0473	0.483	4	117.0473	0.233	4	116.9756	0.870	1043	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[4,6]O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[4,6]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	116.9410	0.000	1	116.9410	0.000	1	116.9756	0.870	1043	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[4]O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[4]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	116.7230	0.081	2	116.7230	0.006	2	116.9756	0.870	1043	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5,6]O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5,6]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	116.6650	0.000	1	116.6650	0.000	1	116.9756	0.870	1043	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5]C)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	118.9940	0.281	2	118.9940	0.079	2	116.9756	0.870	1043	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	117.6830	0.000	1	117.6830	0.000	1	116.9756	0.870	1043	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5]O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	117.0805	0.283	6	117.0805	0.080	6	116.9756	0.870	1043	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	116.5490	0.000	1	116.5490	0.000	1	116.9756	0.870	1043	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[6]O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[6]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	116.6730	0.569	3	116.6730	0.324	3	116.9756	0.870	1043	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	115.7950	0.000	1	115.7950	0.000	1	116.9756	0.870	1043	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	117.8990	0.000	1	117.6862	0.057	5	116.9756	0.870	1043	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	117.9780	0.000	1	117.6862	0.057	5	116.9756	0.870	1043	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	117.5180	0.077	3	117.6862	0.057	5	116.9756	0.870	1043	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	116.7023	0.742	25	116.7095	0.537	27	116.9756	0.870	1043	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){3|C<3>}	116.7995	0.848	2	116.7095	0.537	27	116.9756	0.870	1043	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CPP)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CPP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	117.7305	0.711	2	117.7305	0.505	2	116.9756	0.870	1043	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CPtC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CPtC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	116.5453	1.365	3	116.5453	1.864	3	116.9756	0.870	1043	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CSeC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CSeC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	116.9920	0.557	2	116.9920	0.310	2	116.9756	0.870	1043	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CSiC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CSiC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	117.0855	0.544	2	117.0855	0.296	2	116.9756	0.870	1043	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(CHN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(CHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	119.1460	0.011	2	119.1460	0.000	2	116.9756	0.870	1043	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(COO)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(COO){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(H){4|C<3>}	116.9890	0.000	1	116.9890	0.000	1	116.9756	0.870	1043	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CNO)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CNO){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|O<2>,2|C<3>}	117.2920	0.054	2	118.0864	0.341	7	116.9756	0.870	1043	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CNO)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CNO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	118.4042	0.262	5	118.0864	0.341	7	116.9756	0.870	1043	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(COO)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(COO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	118.6421	0.264	8	118.6421	0.070	8	116.9756	0.870	1043	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CCN)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CCN){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){2|C<3>}	117.3123	0.359	3	117.3123	0.129	3	116.9756	0.870	1043	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CNO)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CNO){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){2|C<3>}	116.5333	0.796	12	116.5333	0.634	12	116.9756	0.870	1043	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(COO)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<2>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(COO){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H){2|C<3>}	118.0919	0.362	9	118.0336	0.151	10	116.9756	0.870	1043	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(COO)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|N<2>,2|C<3>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(COO){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H){2|C<3>}	117.5090	0.000	1	118.0336	0.151	10	116.9756	0.870	1043	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(COO)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(COO){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){2|C<3>}	117.0466	0.921	19	117.0466	0.847	19	116.9756	0.870	1043	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CCH)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CCH){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H){2|C<3>}	116.3303	0.380	3	116.3303	0.144	3	116.9756	0.870	1043	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CCH)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|N<2>,2|H<1>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CCH){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){2|C<3>}	116.9087	1.074	3	116.9087	1.153	3	116.9756	0.870	1043	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CCN)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CCN){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H){2|C<3>}	116.8920	0.000	1	116.8920	0.000	1	116.9756	0.870	1043	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CCN)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|N<2>,2|H<1>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CCN){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){2|C<3>}	116.1869	0.277	18	116.1869	0.077	18	116.9756	0.870	1043	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CCO)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|N<2>,2|H<1>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CCO){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){2|C<3>}	115.4590	0.803	2	115.4590	0.645	2	116.9756	0.870	1043	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CCS)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|N<2>,2|H<1>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CCS){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){2|C<3>}	116.6170	0.000	1	116.6170	0.000	1	116.9756	0.870	1043	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CHH)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CHH){1|Co<6>,1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H){1|Co<6>,2|C<3>}	117.2320	0.000	1	117.2320	0.000	1	116.9756	0.870	1043	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CNN)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|N<2>,2|H<1>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CNN){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){2|C<3>}	116.2761	0.361	8	116.2761	0.131	8	116.9756	0.870	1043	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CNO)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CNO){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H){2|C<3>}	116.5140	0.125	5	116.4523	0.035	6	116.9756	0.870	1043	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CNO)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CNO){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H){2|C<3>}	116.1440	0.000	1	116.4523	0.035	6	116.9756	0.870	1043	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CNO)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|N<2>,2|H<1>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CNO){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){2|C<3>}	115.7952	0.534	133	115.7952	0.286	133	116.9756	0.870	1043	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CN[5]C)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|N<2>,2|H<1>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CN[5]C){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){2|C<3>}	118.5120	0.163	2	118.5120	0.026	2	116.9756	0.870	1043	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CN[6]O)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|N<2>,2|H<1>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CN[6]O){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){2|C<3>}	115.8160	0.000	1	115.8160	0.000	1	116.9756	0.870	1043	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(COO)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(COO){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H){2|C<3>}	116.2314	0.537	8	116.2072	0.257	9	116.9756	0.870	1043	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(COO)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(COO){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H){2|C<3>}	116.0140	0.000	1	116.2072	0.257	9	116.9756	0.870	1043	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(COO)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|N<2>,2|H<1>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(COO){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){2|C<3>}	116.1028	0.728	20	116.1028	0.530	20	116.9756	0.870	1043	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(COS)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(COS){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H){2|C<3>}	116.5070	0.000	1	116.5070	0.000	1	116.9756	0.870	1043	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(COO)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>}	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(COO){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){2|C<3>}	118.7135	0.458	4	118.7135	0.210	4	116.9756	0.870	1043	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(CC[3]O)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|N<2>,1|N<3>,1|O<2>}	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(CC[3]O){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(H){2|C<3>}	119.9555	0.247	2	119.9555	0.061	2	116.9756	0.870	1043	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	N[5a,6a]-3:N[6a]-2:H-1:	N[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]C)	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(COO)	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(H)	N[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]C){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(COO){1|C<3>,1|H<1>,1|N<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(H){1|Cl<1>,4|C<3>}	118.3860	0.000	1	118.2385	0.353	6	118.2385	0.353	6	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	N[5a,6a]-3:N[6a]-2:H-1:	N[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]C)	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(COO)	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(H)	N[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]C){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(COO){1|C<3>,1|H<1>,1|N<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(H){1|I<1>,4|C<3>}	118.5240	0.000	1	118.2385	0.353	6	118.2385	0.353	6	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	N[5a,6a]-3:N[6a]-2:H-1:	N[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]C)	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(COO)	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(H)	N[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]C){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(COO){1|C<3>,1|H<1>,1|N<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(H){1|N<3>,4|C<3>}	118.4890	0.000	1	118.2385	0.353	6	118.2385	0.353	6	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	N[5a,6a]-3:N[6a]-2:H-1:	N[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]C)	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(COO)	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(H)	N[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]C){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(COO){1|C<3>,1|H<1>,1|N<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(H){5|C<3>}	118.0107	0.849	3	118.2385	0.353	6	118.2385	0.353	6	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C[4]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[4]C[4]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[4]C[4]2){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	115.8190	0.000	1	115.8190	0.000	1	114.5765	3.088	2	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C[4]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(C[4]O[4]2)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<2>,2|O<2>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(C[4]O[4]2){1|In<5>,1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H){2|C<3>}	113.3340	0.000	1	113.3340	0.000	1	114.5765	3.088	2	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C[5]-3:	C[6a]-3:N[6a]-2:Br-1:	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br){1|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2){1|Br<1>,1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br){1|H<1>,2|C<3>}	116.3590	0.000	1	116.3590	0.000	1	116.3590	0.000	1	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C[5]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(C[5]N[5]2)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(C[5]N[5]2){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	118.4683	0.113	3	118.4683	0.013	3	116.7883	0.632	138	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C[5]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]C[5]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]C[5]2){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	117.5795	0.163	4	117.5795	0.026	4	116.7883	0.632	138	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C[5]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]C[5]2)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]C[5]2){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	118.0550	0.000	1	118.0550	0.000	1	116.7883	0.632	138	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C[5]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<2>,1|C<3>,1|H<1>,2|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	116.7810	0.000	1	116.7810	0.000	1	116.7883	0.632	138	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C[5]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	117.2930	0.000	1	116.7362	0.552	120	116.7883	0.632	138	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C[5]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	116.3890	0.000	1	116.7362	0.552	120	116.7883	0.632	138	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C[5]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	117.1460	0.000	1	116.7362	0.552	120	116.7883	0.632	138	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C[5]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	116.0618	0.335	6	116.7362	0.552	120	116.7883	0.632	138	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C[5]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	116.4963	0.461	8	116.7362	0.552	120	116.7883	0.632	138	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C[5]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	116.6110	0.000	1	116.7362	0.552	120	116.7883	0.632	138	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C[5]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2){2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	116.8735	0.363	93	116.7362	0.552	120	116.7883	0.632	138	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C[5]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2){1|C<2>,1|C<3>,1|H<1>,2|S<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<2>,2|C<3>}	117.4440	0.000	1	116.7362	0.552	120	116.7883	0.632	138	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C[5]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2){1|C<3>,2|H<1>,2|S<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	116.2580	0.529	2	116.7362	0.552	120	116.7883	0.632	138	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C[5]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	116.5885	0.161	2	116.7362	0.552	120	116.7883	0.632	138	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C[5]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	116.2790	0.000	1	116.7362	0.552	120	116.7883	0.632	138	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C[5]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2){1|Cd<5>,1|N<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	117.4030	0.000	1	116.7362	0.552	120	116.7883	0.632	138	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C[5]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	113.2535	4.440	2	116.7362	0.552	120	116.7883	0.632	138	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C[5]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]P[5]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,2|H<1>,2|P<4>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]P[5]2){2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	118.5250	0.000	1	118.5250	0.000	1	116.7883	0.632	138	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C[5]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(C[5]N[5]2)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,2|H<1>,2|N<2>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(C[5]N[5]2){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){2|C<3>}	116.0630	0.576	2	116.1697	0.266	8	116.7883	0.632	138	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C[5]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(C[5]N[5]2)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,2|H<1>,2|N<2>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(C[5]N[5]2){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){2|C<3>}	116.3685	0.295	2	116.1697	0.266	8	116.7883	0.632	138	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C[5]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(C[5]N[5]2)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,2|H<1>,2|N<2>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(C[5]N[5]2){1|H<1>,2|C<3>,2|N<3>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){2|C<3>}	115.1870	0.000	1	116.1697	0.266	8	116.7883	0.632	138	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C[5]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(C[5]N[5]2)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,3|N<2>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(C[5]N[5]2){1|C<3>,1|H<1>,2|N<2>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){2|C<3>}	116.7660	0.000	1	116.1697	0.266	8	116.7883	0.632	138	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C[5]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(C[5]N[5]2)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,3|N<2>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(C[5]N[5]2){1|H<1>,3|C<3>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){2|C<3>}	116.2710	0.000	2	116.1697	0.266	8	116.7883	0.632	138	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C[6]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(C[6]C[6]2)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|Cl<1>,4|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(C[6]C[6]2){1|N<3>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	119.1700	0.000	1	119.1700	0.000	1	116.9861	0.971	106	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C[6]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]C[6]2)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]C[6]2){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H){1|H<1>,4|C<3>}	117.8442	0.457	5	117.8442	0.209	5	116.9861	0.971	106	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C[6]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]C[6]2)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]C[6]2){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	118.1962	0.600	5	118.1962	0.360	5	116.9861	0.971	106	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C[6]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]C[6]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]C[6]2){1|C<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	116.9890	0.000	1	117.0323	2.480	18	116.9861	0.971	106	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C[6]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]C[6]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]C[6]2){1|N<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	115.9380	0.000	1	117.0323	2.480	18	116.9861	0.971	106	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C[6]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]C[6]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]C[6]2){1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	115.4610	0.000	1	117.0323	2.480	18	116.9861	0.971	106	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C[6]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]C[6]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]C[6]2){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	117.2129	1.648	15	117.0323	2.480	18	116.9861	0.971	106	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C[6]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]N[6]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]N[6]2){1|B<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	116.8920	0.054	2	116.7536	0.391	72	116.9861	0.971	106	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C[6]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]N[6]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]N[6]2){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	116.6680	0.000	1	116.7536	0.391	72	116.9861	0.971	106	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C[6]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]N[6]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]N[6]2){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	117.1640	0.000	1	116.7536	0.391	72	116.9861	0.971	106	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C[6]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]N[6]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]N[6]2){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	117.0167	0.291	6	116.7536	0.391	72	116.9861	0.971	106	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C[6]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]N[6]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]N[6]2){1|Cu<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	116.9460	0.000	1	116.7536	0.391	72	116.9861	0.971	106	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C[6]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]N[6]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]N[6]2){1|Re<6>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	115.7280	0.839	2	116.7536	0.391	72	116.9861	0.971	106	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C[6]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]N[6]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]N[6]2){1|S<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	117.1612	0.488	4	116.7536	0.391	72	116.9861	0.971	106	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C[6]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]N[6]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]N[6]2){1|S<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	116.8075	0.682	4	116.7536	0.391	72	116.9861	0.971	106	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C[6]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]N[6]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]N[6]2){1|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	116.9140	0.184	3	116.7536	0.391	72	116.9861	0.971	106	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C[6]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]N[6]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]N[6]2){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	117.0260	0.243	2	116.7536	0.391	72	116.9861	0.971	106	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C[6]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]N[6]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]N[6]2){1|S<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	116.7916	0.406	8	116.7536	0.391	72	116.9861	0.971	106	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C[6]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]N[6]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]N[6]2){1|S<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	116.7288	0.567	4	116.7536	0.391	72	116.9861	0.971	106	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C[6]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]N[6]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]N[6]2){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	116.6807	0.739	33	116.7536	0.391	72	116.9861	0.971	106	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C[6]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]N[6]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]N[6]2){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	115.7640	0.000	1	116.7536	0.391	72	116.9861	0.971	106	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C[6]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(C[6]C[6]2)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|Cl<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(C[6]C[6]2){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	119.2910	0.000	1	119.2910	0.000	1	116.9861	0.971	106	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C[6]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(C[6]C[6]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(C[6]C[6]2){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	118.2960	0.318	2	118.2960	0.101	2	116.9861	0.971	106	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C[6]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(C[6]N[6]2)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|H<1>,2|N<2>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(C[6]N[6]2){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){2|C<3>}	116.2130	0.042	2	116.2130	0.002	2	116.9861	0.971	106	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[5a,6a]C[6a])(N[6a]C[6a])(NC[6a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]N){1|N<3>,2|C<3>}	C[6a](C[6a]C[5a,6a]C[6a])(N[6a]C[6a])(NC[6a]S){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(H){1|N<3>,4|C<3>}	118.7800	0.000	1	118.7800	0.000	1	118.7800	0.000	1	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:Br-1:	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br){1|C<3>,1|H<1>,1|N<3>}	116.7720	0.000	1	116.7720	0.000	1	116.4787	0.485	6	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:Br-1:	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]H){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br){1|C<3>,1|H<1>,1|N<3>}	115.9970	0.000	1	115.9970	0.000	1	116.4787	0.485	6	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:Br-1:	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]2){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br){1|C<3>,1|H<1>,1|N<3>}	116.3485	0.716	2	116.3485	0.513	2	116.4787	0.485	6	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:Br-1:	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br){1|C<3>,1|H<1>,1|N<3>}	117.5570	0.000	1	117.5570	0.000	1	116.4787	0.485	6	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:Br-1:	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(NC[6a]H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]N){1|H<1>,1|N<2>,1|N<3>}	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(NC[6a]H){1|Br<1>,1|C<3>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(Br){1|C<3>,1|N<3>}	115.8490	0.000	1	115.8490	0.000	1	116.4787	0.485	6	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:Cl-1:	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCC)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N){3|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCC){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Cl){1|C<3>,1|H<1>,1|N<3>}	117.9880	0.000	1	117.9880	0.000	1	117.0064	1.410	10	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:Cl-1:	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl){1|C<3>,1|H<1>,1|N<3>}	117.1350	0.000	1	117.1350	0.000	1	117.0064	1.410	10	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:Cl-1:	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl){1|C<3>,1|H<1>,1|N<3>}	117.3070	0.000	1	117.3070	0.000	1	117.0064	1.410	10	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:Cl-1:	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl){1|C<3>,1|H<1>,1|N<3>}	118.4265	0.190	2	118.4265	0.036	2	117.0064	1.410	10	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:Cl-1:	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)	C[6a](C[6a]N[6a]Cl)(N[6a]C[6a])(NHH)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N){1|Cl<1>,1|N<2>,1|N<3>}	C[6a](C[6a]N[6a]Cl)(N[6a]C[6a])(NHH){1|Cl<1>,1|C<3>}	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(Cl){1|C<3>,1|N<3>}	117.8060	0.000	1	117.8060	0.000	1	117.0064	1.410	10	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:Cl-1:	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NCH)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N){1|C<2>,1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NCH){1|Cl<1>,1|C<3>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(Cl){1|C<3>,1|N<3>}	115.9950	0.000	1	115.9950	0.000	1	117.0064	1.410	10	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:Cl-1:	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(NCH)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N){1|H<1>,1|N<2>,1|O<2>}	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(NCH){1|Cl<1>,1|C<3>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(Cl){1|C<3>,1|N<3>}	115.7540	0.632	2	115.7540	0.400	2	117.0064	1.410	10	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:Cl-1:	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(NHS)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N){1|H<1>,1|N<2>,1|O<2>}	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(NHS){1|Cl<1>,1|C<3>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(Cl){1|C<3>,1|N<3>}	115.4720	0.000	1	115.4720	0.000	1	117.0064	1.410	10	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:F-1:	N[6a](C[6a]C[6a]F)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(NHH)	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F)	N[6a](C[6a]C[6a]F)(C[6a]C[6a]N){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(NHH){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F){1|C<3>,1|H<1>,1|N<3>}	118.6200	0.117	2	118.2580	0.820	5	118.2580	0.820	5	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:F-1:	N[6a](C[6a]C[6a]F)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(NHH)	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F)	N[6a](C[6a]C[6a]F)(C[6a]C[6a]N){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(NHH){1|C<3>,1|F<1>,1|N<3>}	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F){1|C<3>,2|N<3>}	116.7610	0.000	1	118.2580	0.820	5	118.2580	0.820	5	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:F-1:	N[6a](C[6a]C[6a]F)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(NHH)	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F)	N[6a](C[6a]C[6a]F)(C[6a]C[6a]N){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(NHH){1|Cl<1>,1|C<3>,1|F<1>}	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F){1|Cl<1>,1|C<3>,1|N<3>}	118.6445	0.681	2	118.2580	0.820	5	118.2580	0.820	5	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(NHN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(NHN){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	117.5170	1.607	2	117.5170	2.581	2	117.0364	2.107	103	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(NC[6a]S)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<2>,2|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(NC[6a]S){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,2|N<3>}	114.6340	0.000	1	114.6340	0.000	1	117.0364	2.107	103	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<2>,2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H){1|N<3>,4|C<3>}	117.6380	0.000	1	117.6380	0.000	1	117.0364	2.107	103	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|Cl<1>,1|C<2>,1|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|N<3>}	117.5495	0.254	2	117.5495	0.064	2	117.0364	2.107	103	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|N<3>,2|C<3>}	117.2900	0.000	1	117.2900	0.000	1	117.0364	2.107	103	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH)	C[6a](C[6a]C[6a]S)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<2>,1|C<3>,1|S<2>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]S)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|N<3>}	116.9530	0.386	2	117.2397	0.321	3	117.0364	2.107	103	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH)	C[6a](C[6a]C[6a]S)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<2>,1|C<3>,1|S<2>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]S)(N[6a]C[6a])(H){1|N<3>,2|C<3>}	117.8130	0.000	1	117.2397	0.321	3	117.0364	2.107	103	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[3]C[6])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[3]C[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	117.6200	0.000	1	117.6200	0.000	1	117.0364	2.107	103	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<2>,2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|N<3>,2|C<3>}	117.8080	0.140	2	117.8080	0.020	2	117.0364	2.107	103	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|N<3>,2|C<3>}	116.4010	0.000	1	116.4010	0.000	1	117.0364	2.107	103	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(NCH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(NCH){1|C<3>,2|N<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	117.4380	0.000	1	117.4380	0.000	1	117.0364	2.107	103	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|N<3>}	116.5855	1.804	2	116.5855	3.254	2	117.0364	2.107	103	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|N<3>}	116.3229	0.603	10	116.7315	0.675	15	117.0364	2.107	103	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|N<3>,2|C<3>}	117.5486	0.540	5	116.7315	0.675	15	117.0364	2.107	103	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCO)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCO){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|N<3>,2|C<3>}	115.8890	0.000	1	115.8890	0.000	1	117.0364	2.107	103	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCS)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCS){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|N<3>}	115.9625	0.045	2	115.9625	0.002	2	117.0364	2.107	103	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[3x6]H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[3x6]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	117.5310	0.000	1	117.5310	0.000	1	117.0364	2.107	103	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[5]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[5]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|N<3>}	116.0870	0.000	1	116.0870	0.000	1	117.0364	2.107	103	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|N<3>}	116.6260	0.385	6	116.6260	0.149	6	117.0364	2.107	103	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|N<3>,2|C<3>}	116.9660	0.000	1	116.9660	0.000	1	117.0364	2.107	103	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|N<3>}	122.6720	1.158	2	118.9802	11.746	5	117.0364	2.107	103	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|N<3>,1|O<2>}	116.3450	0.177	2	118.9802	11.746	5	117.0364	2.107	103	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|N<3>,2|C<3>}	116.8670	0.000	1	118.9802	11.746	5	117.0364	2.107	103	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|H<1>,1|I<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(H){1|C<3>,1|N<3>,1|O<2>}	116.7230	0.029	3	116.7230	0.001	3	117.0364	2.107	103	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHN){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|N<3>}	115.9830	0.000	1	115.9830	0.000	1	117.0364	2.107	103	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]N[5a])(N[6a]C[6a])(NOO)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N[5a])(N[6a]C[6a])(NOO){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	116.6360	0.000	1	116.6360	0.000	1	117.0364	2.107	103	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]N[6a]Br)(N[6a]C[6a])(NHH)	C[6a](C[6a]N[6a]Br)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){2|Br<1>,1|N<2>}	C[6a](C[6a]N[6a]Br)(N[6a]C[6a])(NHH){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]Br)(N[6a]C[6a])(H){1|C<3>,1|N<3>}	118.9562	0.257	5	118.9562	0.066	5	117.0364	2.107	103	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(NHH)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(NHH){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|N<3>}	117.5840	0.220	4	117.5840	0.048	4	117.0364	2.107	103	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NCH)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|N<2>,2|H<1>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|N<3>}	116.3828	0.296	5	116.3828	0.088	5	117.0364	2.107	103	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NC[6a]H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|N<2>,2|H<1>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NC[6a]H){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|N<3>}	115.9046	0.543	8	115.9046	0.295	8	117.0364	2.107	103	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NHH)	C[6a](C[6a]N[6a]Br)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|Br<1>,1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NHH){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]Br)(N[6a]C[6a])(H){1|C<3>,1|N<3>}	118.3005	0.204	2	118.3005	0.042	2	117.0364	2.107	103	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NHH)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|N<2>,2|H<1>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NHH){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|N<3>}	119.2760	2.754	5	119.2760	7.586	5	117.0364	2.107	103	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NHN)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|N<2>,2|H<1>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NHN){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|N<3>}	116.0310	0.256	2	116.0310	0.066	2	117.0364	2.107	103	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NHS)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|N<2>,2|H<1>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NHS){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|N<3>}	115.8727	0.451	7	115.8727	0.204	7	117.0364	2.107	103	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(NHH)	C[6a](C[6a]N[6a]Br)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|Br<1>,1|N<2>,1|N<3>}	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(NHH){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]Br)(N[6a]C[6a])(H){1|C<3>,1|N<3>}	117.7160	0.000	1	117.7160	0.000	1	117.0364	2.107	103	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(NCC)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|N<2>,1|N<3>,1|O<2>}	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(NCC){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(H){1|C<3>,1|N<3>}	118.7930	0.000	1	118.7930	0.000	1	117.0364	2.107	103	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(NCH)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|N<2>,1|O<2>}	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(NCH){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H){1|C<3>,1|N<3>}	116.0100	0.000	1	116.0100	0.000	1	117.0364	2.107	103	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(NCH)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|H<1>,1|N<2>,1|O<2>}	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(NCH){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|N<3>}	116.6570	0.000	1	116.6570	0.000	1	117.0364	2.107	103	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(NC[6a]H)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|N<2>,1|O<2>}	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(NC[6a]H){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H){1|C<3>,1|N<3>}	117.1810	0.000	1	117.1810	0.000	1	117.0364	2.107	103	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(NHH)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|N<2>,1|O<2>}	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(NHH){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H){1|C<3>,1|N<3>}	116.9050	0.190	2	116.9050	0.036	2	117.0364	2.107	103	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(NHS)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,1|N<2>,1|O<2>}	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(NHS){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H){1|C<3>,1|N<3>}	116.1745	0.600	2	116.1745	0.360	2	117.0364	2.107	103	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(NHS)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|H<1>,1|N<2>,1|O<2>}	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(NHS){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|N<3>}	116.1860	0.000	1	116.1860	0.000	1	117.0364	2.107	103	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]N[6a]S)(N[6a]C[6a])(NHH)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|H<1>,1|N<2>,1|S<2>}	C[6a](C[6a]N[6a]S)(N[6a]C[6a])(NHH){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|N<3>}	117.1550	0.000	1	117.1550	0.000	1	117.0364	2.107	103	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:N-1:	N[6a](C[6a]C[6a]N)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N)	N[6a](C[6a]C[6a]N)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|H<1>,1|N<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N){1|C<3>,1|H<1>,1|N<3>}	120.9705	1.183	2	120.9705	1.399	2	120.9705	1.399	2	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	N[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C){1|H<1>,1|N<3>,1|O<1>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|N<3>,1|O<1>}	116.9330	0.000	1	116.9330	0.000	1	116.6435	0.168	2	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	N[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|H<1>,1|N<3>,1|O<1>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|N<3>,1|O<1>}	116.3540	0.000	1	116.3540	0.000	1	116.6435	0.168	2	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	N[6a]-3:N[6a]-2:O-1:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(NHH)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|F<1>}	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(NHH){1|H<1>,1|N<3>,1|O<1>}	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O){1|C<3>,1|H<1>,1|N<3>}	120.7147	0.189	3	120.7147	0.036	3	120.2568	0.993	107	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	N[6a]-3:N[6a]-2:O-1:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(NHH)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(NHH){1|H<1>,1|N<3>,1|O<1>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(O){1|C<3>,1|H<1>,1|N<3>}	120.2636	0.693	45	120.2636	0.480	45	120.2568	0.993	107	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	N[6a]-3:N[6a]-2:O-1:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|H<1>,1|N<3>,1|O<1>}	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O){1|C<3>,1|H<1>,1|N<3>}	119.9690	0.148	3	119.9690	0.022	3	120.2568	0.993	107	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	N[6a]-3:N[6a]-2:O-1:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|H<1>,1|N<3>,1|O<1>}	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O){1|C<3>,1|H<1>,1|N<3>}	120.4646	1.570	21	120.4646	2.466	21	120.2568	0.993	107	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	N[6a]-3:N[6a]-2:O-1:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|H<1>,1|N<3>,1|O<1>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(O){1|C<3>,1|H<1>,1|N<3>}	120.1171	1.015	32	120.1171	1.029	32	120.2568	0.993	107	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	N[6a]-3:N[6a]-2:O-1:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NPtH)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NPtH){1|H<1>,1|N<3>,1|O<1>}	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O){1|C<3>,1|H<1>,1|N<3>}	120.2130	0.115	2	120.2130	0.013	2	120.2568	0.993	107	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	N[6a]-3:N[6a]-2:O-1:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH){1|N<3>,1|O<1>,1|O<2>}	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O){1|C<3>,1|N<3>,1|O<2>}	119.6340	0.000	1	119.6340	0.000	1	120.2568	0.993	107	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:N[6a]-2:Br-1:	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]Br)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]Br){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br){1|C<3>,1|H<1>,1|N<3>}	117.0580	0.000	2	116.8130	0.180	3	116.8130	0.180	3	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:N[6a]-2:Br-1:	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]Br)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]Br){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2){1|Br<1>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br){1|C<3>,1|H<1>,1|N<3>}	116.3230	0.000	1	116.8130	0.180	3	116.8130	0.180	3	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[5]C[5]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[5]C[5]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	116.6196	0.252	7	116.5467	0.178	15	116.3523	0.525	57	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[5]C[5]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[5]C[5]2){1|Ir<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	115.4960	0.000	1	116.5467	0.178	15	116.3523	0.525	57	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[5]C[5]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[5]C[5]2){1|Ir<6>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	116.3670	0.000	1	116.5467	0.178	15	116.3523	0.525	57	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[5]C[5]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[5]C[5]2){1|Ir<7>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	116.4030	0.250	2	116.5467	0.178	15	116.3523	0.525	57	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[5]C[5]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[5]C[5]2){1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	116.6613	0.423	3	116.5467	0.178	15	116.3523	0.525	57	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[5]C[5]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[5]C[5]2){1|Pd<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	117.2100	0.000	1	116.5467	0.178	15	116.3523	0.525	57	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	117.4490	0.341	3	117.4068	0.085	4	116.3523	0.525	57	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2){2|H<1>,2|O<1>,3|C<3>}	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	117.2800	0.000	1	117.4068	0.085	4	116.3523	0.525	57	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2){1|C<3>,1|S<1>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	116.4450	0.000	1	116.0707	0.377	36	116.3523	0.525	57	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	117.3140	0.000	1	116.0707	0.377	36	116.3523	0.525	57	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2){1|N<2>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	117.7180	0.000	1	116.0707	0.377	36	116.3523	0.525	57	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2){1|O<1>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	116.9190	0.000	1	116.0707	0.377	36	116.3523	0.525	57	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2){1|C<3>,1|N<2>,1|N<3>,4|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	116.4590	0.000	1	116.0707	0.377	36	116.3523	0.525	57	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	115.8970	0.214	2	116.0707	0.377	36	116.3523	0.525	57	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|N<3>}	115.3665	0.499	2	116.0707	0.377	36	116.3523	0.525	57	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	115.3210	0.000	1	116.0707	0.377	36	116.3523	0.525	57	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2){1|Fe<6>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	115.9640	0.000	1	116.0707	0.377	36	116.3523	0.525	57	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2){1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	115.9974	0.530	8	116.0707	0.377	36	116.3523	0.525	57	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2){1|Pd<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|N<3>,1|O<2>}	115.3960	0.000	2	116.0707	0.377	36	116.3523	0.525	57	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2){1|Pd<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	116.4670	0.495	5	116.0707	0.377	36	116.3523	0.525	57	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2){1|Pt<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	116.0495	0.343	2	116.0707	0.377	36	116.3523	0.525	57	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2){1|Ru<6>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	115.8283	0.379	6	116.0707	0.377	36	116.3523	0.525	57	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2){2|H<1>,2|O<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	115.8520	0.174	2	116.0707	0.377	36	116.3523	0.525	57	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2){1|Pd<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	117.1080	0.000	1	117.1080	0.000	1	116.3523	0.525	57	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]S)(N[6a]C[6a])(N[5]C[5]2)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|S<4>,3|C<3>}	C[6a](C[6a]C[6a]S)(N[6a]C[6a])(N[5]C[5]2){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	118.5980	0.000	1	118.5980	0.000	1	116.3523	0.525	57	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[6]-3:	C[5,6a]-3:N[6a]-2:Br-1:	N[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]N[6])	C[6a](C[6a]C[5,6a]C)(N[6a]C[6a])(N[6]C[6]2)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(Br)	N[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]N[6]){1|C<3>,4|C<4>}	C[6a](C[6a]C[5,6a]C)(N[6a]C[6a])(N[6]C[6]2){1|Br<1>,1|C<3>,3|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(Br){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	118.1130	0.000	1	118.1130	0.000	1	118.1130	0.000	1	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[6]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[6]C[6]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H){1|C<3>,1|H<1>,3|C<4>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[6]C[6]2){2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	117.1650	0.860	4	117.5097	0.731	6	117.5777	1.017	34	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[6]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[6]C[6]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	118.1230	0.000	1	117.5097	0.731	6	117.5777	1.017	34	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[6]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[6]C[6]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[6]C[6]2){2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	118.2750	0.000	1	117.5097	0.731	6	117.5777	1.017	34	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[6]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(N[6]C[6]2)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H){1|Cl<1>,1|C<3>,3|C<4>}	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	118.8790	0.000	1	118.8790	0.000	1	117.5777	1.017	34	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[6]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[6]C[6]2)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[6]C[6]2){2|H<1>,2|O<1>,3|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	116.8230	0.000	1	116.8230	0.000	1	117.5777	1.017	34	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[6]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[6]C[6]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	117.5613	0.615	15	117.4617	1.035	21	117.5777	1.017	34	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[6]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[6]C[6]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[6]C[6]2){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	116.8360	0.000	1	117.4617	1.035	21	117.5777	1.017	34	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[6]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[6]C[6]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[6]C[6]2){1|N<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	116.3370	0.000	1	117.4617	1.035	21	117.5777	1.017	34	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[6]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[6]C[6]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[6]C[6]2){1|P<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	118.1323	2.140	3	117.4617	1.035	21	117.5777	1.017	34	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[6]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[6]C[6]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[6]C[6]2){2|H<1>,2|O<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	115.7060	0.000	1	117.4617	1.035	21	117.5777	1.017	34	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[6]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[6]C[6]2)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	118.2070	0.000	1	118.2070	0.000	1	117.5777	1.017	34	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[6]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(N[6]C[6]2)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|N<3>,2|C<4>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	118.3970	0.000	1	118.3970	0.000	1	117.5777	1.017	34	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[6]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(N[6]C[6]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	117.6790	0.000	1	117.6790	0.000	1	117.5777	1.017	34	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[6]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(N[6]C[6]2)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|N<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	119.5780	0.000	1	119.5780	0.000	1	117.5777	1.017	34	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[6]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(N[6]C[6]2)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H){1|N<2>,2|C<4>,2|H<1>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(N[6]C[6]2){1|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|N<3>}	116.3270	0.000	1	116.3270	0.000	1	117.5777	1.017	34	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:P-3:	C[6a]-3:N[6a]-2:Br-1:	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]P)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PC[6a]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]P){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PC[6a]2){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br){1|C<3>,1|H<1>,1|P<3>}	115.8130	0.000	1	115.8130	0.000	1	115.8130	0.000	1	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:P-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]P)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PC[6a]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]P){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PC[6a]2){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|P<3>}	116.3740	0.000	1	116.3740	0.000	1	116.3740	0.000	1	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:P[5]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(P[5]P[5]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H){1|C<3>,2|H<1>,2|P<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(P[5]P[5]2){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|P<3>}	116.6810	0.000	1	117.2353	0.164	6	117.2353	0.164	6	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:P[5]-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(P[5]P[5]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H){1|C<3>,2|H<1>,2|P<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(P[5]P[5]2){2|H<1>,2|P<3>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|P<3>}	117.3462	0.337	5	117.2353	0.164	6	117.2353	0.164	6	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:S-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(SC[6a]O)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|N<2>,2|H<1>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(SC[6a]O){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|S<3>}	114.8730	0.089	2	114.8730	0.008	2	114.3734	0.611	10	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:S-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]N[6a]S)(N[6a]C[6a])(SFe2)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|H<1>,1|N<2>,1|S<3>}	C[6a](C[6a]N[6a]S)(N[6a]C[6a])(SFe2){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|S<3>}	113.8398	0.111	6	113.8398	0.012	6	114.3734	0.611	10	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:S-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]N[6a]S)(N[6a]C[6a])(SRh2)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|H<1>,1|N<2>,1|S<2>}	C[6a](C[6a]N[6a]S)(N[6a]C[6a])(SRh2){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|S<3>}	115.4745	0.894	2	115.4745	0.800	2	114.3734	0.611	10	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	N[5a,6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]N[5a,6a]N)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH)	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]N[5a,6a]N)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<2>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH){1|C<3>,1|H<1>,2|N<2>}	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(H){1|N<2>,2|N<3>}	118.5890	0.000	1	118.5890	0.000	1	118.5890	0.000	1	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	N[5a,6a]-3:N[6a]-2:N-3:	N[6a]-3:N[6a]-2:O-1:	N[6a](C[6a]N[5a,6a]N)(C[6a]N[6a]O)	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH)	C[6a](N[6a]C[5a,6a]H)(N[6a]C[6a])(O)	N[6a](C[6a]N[5a,6a]N)(C[6a]N[6a]O){1|C<3>,1|H<1>,1|N<2>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH){1|C<3>,1|N<2>,1|N<3>,1|O<1>}	C[6a](N[6a]C[5a,6a]H)(N[6a]C[6a])(O){1|N<2>,2|N<3>}	119.5690	0.000	1	119.5690	0.000	1	119.5690	0.000	1	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	N[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:Cl-1:	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]N)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]N){1|C<3>,2|H<1>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH){1|Cl<1>,1|C<3>,1|O<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl){1|O<1>,2|N<3>}	114.9787	0.022	3	114.9787	0.000	3	114.9787	0.000	3	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	N[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH)	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|F<1>,1|H<1>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|O<1>}	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(H){1|O<1>,2|N<3>}	116.7380	0.000	1	116.7380	0.000	1	116.3760	0.262	2	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	N[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,2|H<1>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|O<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|O<1>,2|N<3>}	116.0140	0.000	1	116.0140	0.000	1	116.3760	0.262	2	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	N[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(NHH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N){1|C<3>,2|C<4>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(NHH){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(O){1|H<1>,2|N<3>}	120.5600	0.000	1	120.5600	0.000	1	118.9665	0.529	23	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	N[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NCH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N){1|C<3>,2|H<1>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|C<4>,1|O<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(O){1|C<4>,2|N<3>}	118.3548	0.404	10	118.3548	0.163	10	118.9665	0.529	23	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	N[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N){1|Br<1>,1|C<3>,1|H<1>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<3>,1|C<4>,1|O<1>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(O){1|C<4>,2|N<3>}	119.3665	0.139	2	119.3665	0.019	2	118.9665	0.529	23	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	N[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N){1|C<3>,1|C<4>,1|H<1>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<3>,1|C<4>,1|O<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(O){1|C<4>,2|N<3>}	119.1265	0.105	4	119.1265	0.011	4	118.9665	0.529	23	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	N[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N){1|C<3>,2|H<1>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<3>,1|C<4>,1|O<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(O){1|C<4>,2|N<3>}	118.8910	0.000	1	119.2670	0.283	2	118.9665	0.529	23	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	N[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N){1|C<3>,2|H<1>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|O<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(O){1|H<1>,2|N<3>}	119.6430	0.000	1	119.2670	0.283	2	118.9665	0.529	23	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	N[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)	C[6a](N[6a]N[6a]C)(N[6a]C[6a])(NHH)	C[6a](C[6a]N[6a]Br)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N){1|Br<1>,1|C<4>,1|N<2>}	C[6a](N[6a]N[6a]C)(N[6a]C[6a])(NHH){1|C<3>,1|O<1>}	C[6a](C[6a]N[6a]Br)(N[6a]C[6a])(O){2|N<3>}	119.7773	0.699	3	119.7773	0.489	3	118.9665	0.529	23	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	N[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)	C[6a](N[6a]N[6a]C[5])(N[6a]C[6a])(NHH)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N){1|N<2>,2|C<4>}	C[6a](N[6a]N[6a]C[5])(N[6a]C[6a])(NHH){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(O){2|N<3>}	119.0160	0.000	1	119.0160	0.000	1	118.9665	0.529	23	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	N[6a]-3:N[6a]-2:N-3:	N[6a]-3:N[6a]-2:O-1:	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(NCH)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O)	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O){1|C<3>,2|C<4>}	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(NCH){1|N<3>,2|O<1>}	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O){1|O<1>,2|N<3>}	119.6210	0.000	1	119.6210	0.000	1	119.5803	0.003	3	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	N[6a]-3:N[6a]-2:N-3:	N[6a]-3:N[6a]-2:O-1:	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O)	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O){1|C<3>,2|C<4>}	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C){1|N<3>,2|O<1>}	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O){1|O<1>,2|N<3>}	119.5170	0.000	1	119.5170	0.000	1	119.5803	0.003	3	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	N[6a]-3:N[6a]-2:N-3:	N[6a]-3:N[6a]-2:O-1:	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O)	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O){1|C<3>,2|C<4>}	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H){1|N<3>,2|O<1>}	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O){1|O<1>,2|N<3>}	119.6030	0.000	1	119.6030	0.000	1	119.5803	0.003	3	117.2270	1.832	1737	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:2:	C[6a]-3:C[6a]-3:	C[5,6a]-3:N[6a]-2:N-3:	C[5a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a]C[5a]N[6a])(C[6a]C[5,6a]N)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(NHH)	C[6a](C[5a]C[5a,6a]N[5a])(N[6a]C[5,6a])(N[6a]C[6a])	N[6a](C[6a]C[5a]N[6a])(C[6a]C[5,6a]N){1|C<4>,1|N<2>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(NHH){1|C<4>,1|N<2>,1|N<3>,3|C<3>}	C[6a](C[5a]C[5a,6a]N[5a])(N[6a]C[5,6a])(N[6a]C[6a]){3|C<3>,3|N<3>}	117.4840	0.000	1	117.4840	0.000	1	117.4840	0.000	1	117.3591	1.322	100	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:2:	C[6a]-3:C[6a]-3:	C[5,6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:O-2:	N[6a](C[6a]C[5,6a]N)(C[6a]C[6a]O)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(NC[6]H)	C[6a](C[6a]C[5,6a]C)(N[6a]C[6a])(OC)	N[6a](C[6a]C[5,6a]N)(C[6a]C[6a]O){3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(NC[6]H){1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[5,6a]C)(N[6a]C[6a])(OC){1|N<3>,2|C<3>}	118.9680	0.000	1	118.9680	0.000	1	119.0225	0.006	2	117.3591	1.322	100	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:2:	C[6a]-3:C[6a]-3:	C[5,6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:O-2:	N[6a](C[6a]C[5,6a]N)(C[6a]C[6a]O)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(NHH)	C[6a](C[6a]C[5,6a]C)(N[6a]C[6a])(OC)	N[6a](C[6a]C[5,6a]N)(C[6a]C[6a]O){3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(NHH){1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[5,6a]C)(N[6a]C[6a])(OC){1|N<3>,2|C<3>}	119.0770	0.000	1	119.0770	0.000	1	119.0225	0.006	2	117.3591	1.322	100	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:2:	C[6a]-3:C[6a]-3:	C[6,6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:O-2:	N[6a](C[6a]C[6,6a]N)(C[6a]C[6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(NHH)	C[6a](C[6a]C[6,6a]C)(N[6a]C[6a])(OC[6a])	N[6a](C[6a]C[6,6a]N)(C[6a]C[6a]O){1|C<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(NHH){1|N<3>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6,6a]C)(N[6a]C[6a])(OC[6a]){1|C<3>,2|N<3>}	117.1470	0.000	1	117.1470	0.000	1	117.1470	0.000	1	117.3591	1.322	100	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:2:	C[6a]-3:C[6a]-3:	C[6,6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:S-2:	N[6a](C[6a]C[6,6a]N)(C[6a]C[6a]S)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(NHH)	C[6a](C[6a]C[6,6a]C)(N[6a]C[6a])(SC[6a])	N[6a](C[6a]C[6,6a]N)(C[6a]C[6a]S){1|C<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(NHH){1|N<3>,1|S<2>,3|C<3>}	C[6a](C[6a]C[6,6a]C)(N[6a]C[6a])(SC[6a]){1|C<3>,2|N<3>}	117.8040	0.000	1	117.8040	0.000	1	117.8040	0.000	1	117.3591	1.322	100	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:C-2:	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC)	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC){1|H<1>,2|C<3>}	117.1750	0.249	5	117.1750	0.062	5	117.1750	0.062	5	117.3591	1.322	100	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:N-2:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NN){1|H<1>,2|C<3>}	117.7080	0.000	1	117.7080	0.000	1	117.4350	0.149	2	117.3591	1.322	100	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:N-2:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC){1|H<1>,2|C<3>}	117.1620	0.000	1	117.1620	0.000	1	117.4350	0.149	2	117.3591	1.322	100	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCH)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCH){1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{2|H<1>,5|C<3>}	116.8870	0.000	1	116.8870	0.000	1	116.4780	0.176	5	117.3591	1.322	100	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN){1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{2|H<1>,5|C<3>}	116.0810	0.362	2	116.0810	0.131	2	116.4780	0.176	5	117.3591	1.322	100	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{3|H<1>,4|C<3>}	116.6705	0.127	2	116.6705	0.016	2	116.4780	0.176	5	117.3591	1.322	100	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:O-2:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(COO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OS)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(COO){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OS){1|H<1>,2|C<3>}	117.7490	0.000	2	117.7490	0.000	2	117.1224	0.741	15	117.3591	1.322	100	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:O-2:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(CC[6]O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(CC[6]O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|H<1>,2|C<3>}	118.1820	0.000	1	118.1820	0.000	1	117.1224	0.741	15	117.3591	1.322	100	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:O-2:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|H<1>,2|C<3>}	116.6140	0.000	1	116.6140	0.000	1	117.1224	0.741	15	117.3591	1.322	100	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:O-2:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|H<1>,2|C<3>}	117.5472	0.862	5	117.5472	0.743	5	117.1224	0.741	15	117.3591	1.322	100	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:O-2:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC){1|H<1>,2|C<3>}	117.2800	0.000	1	117.2800	0.000	1	117.1224	0.741	15	117.3591	1.322	100	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:O-2:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CNO)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O){1|N<2>,2|H<1>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CNO){1|C<3>,1|O<2>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(OC){2|C<3>}	115.9140	0.000	1	115.9140	0.000	1	117.1224	0.741	15	117.3591	1.322	100	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:O-2:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CNO)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O){1|H<1>,1|N<2>,1|N<3>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CNO){1|C<3>,1|O<2>}	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(OC){2|C<3>}	116.3440	0.000	1	116.3440	0.000	1	117.1224	0.741	15	117.3591	1.322	100	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:O-2:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CN[6]O)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O){1|H<1>,1|N<2>,1|N<3>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CN[6]O){1|C<3>,1|O<2>}	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(OC){2|C<3>}	116.2290	0.000	1	116.2290	0.000	1	117.1224	0.741	15	117.3591	1.322	100	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:O-2:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(COO)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O){1|H<1>,1|N<2>,1|N<3>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(COO){1|C<3>,1|O<2>}	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(OC){2|C<3>}	116.5195	0.851	2	116.5195	0.724	2	117.1224	0.741	15	117.3591	1.322	100	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:S-2:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SC)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]S){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]O){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SC){1|H<1>,2|C<3>}	117.3360	0.546	2	117.3360	0.298	2	117.3360	0.298	2	117.3591	1.322	100	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	N[6a]-3:N[6a]-2:S-2:	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]O)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(SC[5])	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]O){1|N<3>,1|O<1>,1|S<2>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(SC[5]){1|O<1>,2|C<3>}	116.4420	0.000	1	116.4420	0.000	1	116.4420	0.000	1	117.3591	1.322	100	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[5a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]N)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH)	C[6a](C[5a]C[5a,6a]N[5a])(N[6a]C[6a])2	N[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]N){1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH){1|C<3>,1|N<2>,1|N<3>}	C[6a](C[5a]C[5a,6a]N[5a])(N[6a]C[6a])2{3|C<3>,3|N<3>}	115.7755	1.574	4	115.7755	2.477	4	115.7755	2.477	4	117.3591	1.322	100	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:C-2:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC){1|C<3>,1|H<1>,1|N<3>}	117.2685	0.315	2	117.2685	0.099	2	118.0478	2.402	11	117.3591	1.322	100	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:C-2:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(NCC)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(CN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<2>,1|N<2>,1|N<3>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(NCC){1|C<2>,1|C<3>}	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(CN){1|C<3>,1|N<3>}	118.2210	1.675	9	118.2210	2.804	9	118.0478	2.402	11	117.3591	1.322	100	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:N-2:	N[6a](C[6a]C[6a]N)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6]H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NH)	N[6a](C[6a]C[6a]N)2{1|C<3>,2|C<2>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6]H){1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NH){1|N<3>,2|C<3>}	118.7360	0.000	1	118.7360	0.000	1	118.3633	0.851	9	117.3591	1.322	100	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:N-2:	N[6a](C[6a]C[6a]N)2	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(NHH)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(NH)	N[6a](C[6a]C[6a]N)2{2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(NH){1|C<3>,1|H<1>,1|N<3>}	120.7090	0.000	1	120.7090	0.000	1	118.3633	0.851	9	117.3591	1.322	100	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:N-2:	N[6a](C[6a]C[6a]N)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC)	N[6a](C[6a]C[6a]N)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC){1|C<3>,1|H<1>,1|N<3>}	117.9750	0.138	7	117.9750	0.019	7	118.3633	0.851	9	117.3591	1.322	100	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N){1|C<4>,3|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C){1|Cl<1>,1|C<3>,1|N<2>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{1|Cl<1>,1|N<3>,2|H<1>,3|C<3>}	117.8680	0.000	1	117.8680	0.000	1	116.6651	0.952	10	117.3591	1.322	100	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N){1|C<2>,3|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H){1|C<2>,1|C<3>,1|N<2>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{1|C<2>,1|N<3>,2|H<1>,3|C<3>}	118.3800	0.000	1	116.8877	0.874	6	116.6651	0.952	10	117.3591	1.322	100	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N){1|C<4>,3|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H){1|C<3>,1|C<4>,1|N<2>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	116.5892	0.652	5	116.8877	0.874	6	116.6651	0.952	10	117.3591	1.322	100	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCN)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCN){1|C<3>,1|N<2>,1|N<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{2|H<1>,2|N<3>,3|C<3>}	115.7055	0.479	2	115.7055	0.229	2	116.6651	0.952	10	117.3591	1.322	100	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NHS)	C[6a](C[6a]N[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N){1|C<3>,1|O<2>,2|N<2>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NHS){1|C<3>,1|N<2>,1|O<2>}	C[6a](C[6a]N[6a]2)(N[6a]C[6a])2{1|N<3>,1|O<2>,3|C<3>}	116.0460	0.000	1	116.0460	0.000	1	116.6651	0.952	10	117.3591	1.322	100	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:O-2:	N[6a](C[6a]C[6a]N)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]N)(C[6a]C[6a]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|C<3>,1|H<1>,1|N<3>}	117.1770	0.000	1	117.1770	0.000	1	117.9073	0.464	8	117.3591	1.322	100	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:O-2:	N[6a](C[6a]C[6a]N)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]N)(C[6a]C[6a]O){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]H){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC){1|N<3>,2|C<3>}	117.2500	0.000	1	117.2500	0.000	1	117.9073	0.464	8	117.3591	1.322	100	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:O-2:	N[6a](C[6a]C[6a]N)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]N)(C[6a]C[6a]O){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC){1|C<3>,1|H<1>,1|N<3>}	118.6565	0.351	2	118.6323	0.064	3	117.9073	0.464	8	117.3591	1.322	100	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:O-2:	N[6a](C[6a]C[6a]N)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]N)(C[6a]C[6a]O){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC){1|N<3>,2|C<3>}	118.5840	0.000	1	118.6323	0.064	3	117.9073	0.464	8	117.3591	1.322	100	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:O-2:	N[6a](C[6a]C[6a]N)(C[6a]C[6a]O)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NC[6a]C)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]N)(C[6a]C[6a]O){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NC[6a]C){1|C<3>,1|O<2>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(OC){1|C<3>,1|N<3>}	117.8935	0.030	2	117.8935	0.001	2	117.9073	0.464	8	117.3591	1.322	100	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:O-2:	N[6a](C[6a]C[6a]N)(C[6a]C[6a]O)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NC[6a]H)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]N)(C[6a]C[6a]O){1|H<1>,1|N<2>,1|N<3>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NC[6a]H){1|C<3>,1|O<2>}	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(OC){1|C<3>,1|N<3>}	117.1470	0.000	1	117.1470	0.000	1	117.9073	0.464	8	117.3591	1.322	100	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:S-2:	N[6a](C[6a]C[6a]N)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SC)	N[6a](C[6a]C[6a]N)(C[6a]C[6a]S){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|N<3>,1|S<2>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SC){1|C<3>,2|N<3>}	116.9085	0.060	2	116.9085	0.004	2	117.4372	0.787	5	117.3591	1.322	100	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:S-2:	N[6a](C[6a]C[6a]N)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SC)	N[6a](C[6a]C[6a]N)(C[6a]C[6a]S){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]H){1|S<2>,2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SC){1|N<3>,2|C<3>}	117.5210	0.000	1	117.5210	0.000	1	117.4372	0.787	5	117.3591	1.322	100	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:S-2:	N[6a](C[6a]C[6a]N)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SC)	N[6a](C[6a]C[6a]N)(C[6a]C[6a]S){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<3>,1|N<3>,1|S<2>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SC){1|C<3>,2|N<3>}	116.8980	0.000	1	117.9240	2.105	2	117.4372	0.787	5	117.3591	1.322	100	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:S-2:	N[6a](C[6a]C[6a]N)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SC)	N[6a](C[6a]C[6a]N)(C[6a]C[6a]S){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|S<2>,2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SC){1|N<3>,2|C<3>}	118.9500	0.000	1	117.9240	2.105	2	117.4372	0.787	5	117.3591	1.322	100	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	N[6a]-3:N[6a]-2:N-2:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(NC)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){1|C<3>,1|C<4>,1|N<2>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH){1|N<2>,1|N<3>,1|O<1>}	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(NC){1|C<3>,1|N<3>,1|O<1>}	118.5280	0.000	1	118.5280	0.000	1	118.5280	0.000	1	117.3591	1.322	100	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	N[6a]-3:N[6a]-2:O-2:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH){1|N<3>,1|O<1>,1|O<2>}	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(OC){1|C<3>,1|N<3>,1|O<1>}	116.8140	0.000	1	116.8140	0.000	1	117.3190	0.510	2	117.3591	1.322	100	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	N[6a]-3:N[6a]-2:O-2:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|N<2>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH){1|N<3>,1|O<1>,1|O<2>}	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(OC){1|C<3>,1|N<3>,1|O<1>}	117.8240	0.000	1	117.8240	0.000	1	117.3190	0.510	2	117.3591	1.322	100	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	N[6a]-3:N[6a]-2:S-2:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(SC)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH){1|N<3>,1|O<1>,1|S<2>}	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(SC){1|C<3>,1|N<3>,1|O<1>}	118.0430	0.000	1	117.7420	0.181	2	117.2170	1.707	7	117.3591	1.322	100	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	N[6a]-3:N[6a]-2:S-2:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(SC)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH){1|N<3>,1|O<1>,1|S<2>}	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(SC){1|C<3>,1|N<3>,1|O<1>}	117.4410	0.000	1	117.7420	0.181	2	117.2170	1.707	7	117.3591	1.322	100	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	N[6a]-3:N[6a]-2:S-2:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(SC)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|N<3>,1|O<1>,1|S<2>}	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(SC){1|C<3>,1|N<3>,1|O<1>}	116.8335	0.110	2	116.8335	0.012	2	117.2170	1.707	7	117.3591	1.322	100	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	N[6a]-3:N[6a]-2:S-2:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(SC)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|N<3>,1|O<1>,1|S<2>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(SC){1|C<3>,1|N<3>,1|O<1>}	114.6540	0.000	1	114.6540	0.000	1	117.2170	1.707	7	117.3591	1.322	100	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	N[6a]-3:N[6a]-2:S-2:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(SC)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S){1|C<3>,1|C<4>,1|N<2>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH){1|N<3>,1|O<1>,1|S<2>}	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(SC){1|C<3>,1|N<3>,1|O<1>}	118.3570	0.190	2	118.3570	0.036	2	117.2170	1.707	7	117.3591	1.322	100	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[6]-3:	C[6a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N[6])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(N[6]C[6]2)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(N[6a]N[6a])	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N[6]){1|N<2>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(N[6]C[6]2){1|N<2>,2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(N[6a]N[6a]){1|N<3>,2|H<1>,3|C<3>}	117.2920	0.000	1	117.2920	0.000	1	117.2920	0.000	1	117.3591	1.322	100	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[6]-3:	C[6a]-3:N[6a]-2:O-2:	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]O)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(N[6]C[6]2)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(OP)	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]O){2|Cl<1>,1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(N[6]C[6]2){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(OP){1|C<3>,1|H<1>,1|N<3>}	119.3340	0.000	1	119.3340	0.000	1	119.3340	0.000	1	117.3591	1.322	100	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:2:	C[6a]-3:C[6a]-3:	N[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:O-2:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NCH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N){1|C<3>,2|H<1>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|O<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|O<1>,2|N<3>}	115.6830	0.467	2	115.6830	0.218	2	115.6830	0.218	2	117.3591	1.322	100	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:2:	C[6a]-3:C[6a]-3:	N[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:S-2:	N[6a](C[6a]C[6a]S)(C[6a]N[6a]N)	C[6a](N[6a]C[6a]N)(N[6a]C[6a])(NHH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SC)	N[6a](C[6a]C[6a]S)(C[6a]N[6a]N){1|C<2>,1|C<3>,1|N<2>}	C[6a](N[6a]C[6a]N)(N[6a]C[6a])(NHH){1|C<3>,1|O<1>,1|S<2>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SC){1|O<1>,2|N<3>}	116.9907	0.326	3	117.1685	0.197	4	117.1685	0.197	4	117.3591	1.322	100	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:2:	C[6a]-3:C[6a]-3:	N[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:S-2:	N[6a](C[6a]C[6a]S)(C[6a]N[6a]N)	C[6a](N[6a]C[6a]N)(N[6a]C[6a])(NHH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SC)	N[6a](C[6a]C[6a]S)(C[6a]N[6a]N){1|C<2>,1|C<3>,1|N<3>}	C[6a](N[6a]C[6a]N)(N[6a]C[6a])(NHH){1|C<3>,1|O<1>,1|S<2>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SC){1|O<1>,2|N<3>}	117.7020	0.000	1	117.1685	0.197	4	117.1685	0.197	4	117.3591	1.322	100	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:3:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:C-3:	N[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CCO)	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(CNO)	N[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]C){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CCO){1|H<1>,4|C<3>}	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(CNO){3|C<3>}	119.3320	0.000	1	119.3320	0.000	1	119.3320	0.000	1	117.7756	1.240	828	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:3:	C[6a]-3:C[6a]-3:	C[6,6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6,6a]N)(C[6a]C[6a]N)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(NHH)	C[6a](C[6a]C[6,6a]C)(N[6a]C[6a])(NCC)	N[6a](C[6a]C[6,6a]N)(C[6a]C[6a]N){1|C<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(NHH){2|N<3>,3|C<3>}	C[6a](C[6a]C[6,6a]C)(N[6a]C[6a])(NCC){1|C<3>,2|N<3>}	119.5070	0.000	1	119.5070	0.000	1	119.5070	0.000	1	117.7756	1.240	828	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:C-3:	N[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NHH)	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]C){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NHH){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(COO){1|N<3>,2|C<3>}	117.4970	0.000	1	117.4970	0.000	1	117.4970	0.000	1	117.7756	1.240	828	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:C-3:	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN)	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN){1|H<1>,2|C<3>}	118.3630	0.000	1	118.3630	0.000	1	117.5053	0.813	400	117.7756	1.240	828	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:C-3:	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCO)	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCO){1|H<1>,2|C<3>}	117.9130	0.000	1	117.9130	0.000	1	117.5053	0.813	400	117.7756	1.240	828	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:C-3:	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCH)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(CCH)	N[6a](C[6a]C[6a]C)2{1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(CCH){1|H<1>,2|C<3>}	121.6630	0.000	1	121.6630	0.000	1	117.5053	0.813	400	117.7756	1.240	828	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:C-3:	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN)	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN){1|C<4>,2|C<3>}	117.4670	0.000	1	118.1336	0.317	25	117.5053	0.813	400	117.7756	1.240	828	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:C-3:	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN)	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN){1|H<1>,2|C<3>}	118.2038	0.528	23	118.1336	0.317	25	117.5053	0.813	400	117.7756	1.240	828	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:C-3:	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN)	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN){3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN){3|C<3>}	117.1860	0.000	1	118.1336	0.317	25	117.5053	0.813	400	117.7756	1.240	828	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:C-3:	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCO)	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCO){1|H<1>,2|C<3>}	117.9720	0.700	3	117.9720	0.490	3	117.5053	0.813	400	117.7756	1.240	828	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:C-3:	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCO)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCO)	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCO){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCO){1|H<1>,2|C<3>}	117.8557	0.459	3	117.6826	0.182	5	117.5053	0.813	400	117.7756	1.240	828	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:C-3:	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCO)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCO)	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCO){3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCO){3|C<3>}	117.4230	0.283	2	117.6826	0.182	5	117.5053	0.813	400	117.7756	1.240	828	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:C-3:	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCO)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCO){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|H<1>,2|C<3>}	116.9380	0.000	1	116.9380	0.000	1	117.5053	0.813	400	117.7756	1.240	828	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:C-3:	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]O)	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]O){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]O){1|H<1>,2|C<3>}	117.6655	0.289	2	117.6655	0.084	2	117.5053	0.813	400	117.7756	1.240	828	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:C-3:	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]C)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]C)	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]C){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]C){1|H<1>,2|C<3>}	117.5450	0.000	1	117.5450	0.000	1	117.5053	0.813	400	117.7756	1.240	828	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:C-3:	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]N)	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]N){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]N){1|H<1>,2|C<3>}	117.7350	0.000	1	117.7350	0.000	1	117.5053	0.813	400	117.7756	1.240	828	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:C-3:	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]O)	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]O){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]O){1|H<1>,2|C<3>}	116.7207	0.723	4	116.7207	0.523	4	117.5053	0.813	400	117.7756	1.240	828	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:C-3:	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CClN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CClN){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|H<1>,2|C<3>}	117.4010	0.000	1	117.4010	0.000	1	117.5053	0.813	400	117.7756	1.240	828	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:C-3:	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN)	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN){1|H<1>,2|C<3>}	117.3001	0.582	17	117.2176	0.330	20	117.5053	0.813	400	117.7756	1.240	828	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:C-3:	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN)	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN){1|O<2>,2|C<3>}	116.7503	0.195	3	117.2176	0.330	20	117.5053	0.813	400	117.7756	1.240	828	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:C-3:	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|Br<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|Br<1>,2|C<3>}	116.9430	0.000	1	117.5196	0.389	211	117.5053	0.813	400	117.7756	1.240	828	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:C-3:	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|C<4>,2|C<3>}	115.9930	0.157	2	117.5196	0.389	211	117.5053	0.813	400	117.7756	1.240	828	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:C-3:	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|H<1>,2|C<3>}	117.5401	0.611	206	117.5196	0.389	211	117.5053	0.813	400	117.7756	1.240	828	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:C-3:	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|O<2>,2|C<3>}	117.2460	0.000	1	117.5196	0.389	211	117.5053	0.813	400	117.7756	1.240	828	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:C-3:	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){3|C<3>}	117.2070	0.000	1	117.5196	0.389	211	117.5053	0.813	400	117.7756	1.240	828	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:C-3:	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO){1|H<1>,2|C<3>}	117.4264	0.494	19	117.4264	0.244	19	117.5053	0.813	400	117.7756	1.240	828	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:C-3:	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNS)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNS)	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNS){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNS){1|H<1>,2|C<3>}	118.4759	0.670	8	118.4759	0.448	8	117.5053	0.813	400	117.7756	1.240	828	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:C-3:	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]O)	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]O){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]O){1|H<1>,2|C<3>}	116.1525	0.391	2	116.1525	0.153	2	117.5053	0.813	400	117.7756	1.240	828	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:C-3:	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO){1|Br<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO){1|Br<1>,2|C<3>}	116.4683	0.027	3	117.2410	2.039	78	117.5053	0.813	400	117.7756	1.240	828	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:C-3:	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO){1|Cl<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO){1|Cl<1>,2|C<3>}	116.5560	0.000	2	117.2410	2.039	78	117.5053	0.813	400	117.7756	1.240	828	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:C-3:	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO){1|H<1>,2|C<3>}	117.3987	1.310	62	117.2410	2.039	78	117.5053	0.813	400	117.7756	1.240	828	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:C-3:	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO){1|I<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO){1|I<1>,2|C<3>}	115.7290	0.543	2	117.2410	2.039	78	117.5053	0.813	400	117.7756	1.240	828	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:C-3:	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO){1|O<2>,2|C<3>}	119.4470	4.851	2	117.2410	2.039	78	117.5053	0.813	400	117.7756	1.240	828	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:C-3:	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO){3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO){3|C<3>}	116.1726	0.573	7	117.2410	2.039	78	117.5053	0.813	400	117.7756	1.240	828	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:C-3:	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COP)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COP)	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COP){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COP){1|H<1>,2|C<3>}	117.1024	0.485	8	117.1024	0.235	8	117.5053	0.813	400	117.7756	1.240	828	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:C-3:	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CCH)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CCH)	N[6a](C[6a]C[6a]C)2{1|N<2>,2|C<3>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CCH){2|C<3>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CCH){2|C<3>}	119.6520	0.000	1	119.6520	0.000	1	117.5053	0.813	400	117.7756	1.240	828	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:C-3:	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(COO)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a]C)2{1|N<2>,2|C<3>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(COO){2|C<3>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(COO){2|C<3>}	117.7258	0.657	6	117.7258	0.432	6	117.5053	0.813	400	117.7756	1.240	828	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:C-3:	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(COO)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a]C)2{1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(COO){2|C<3>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(COO){2|C<3>}	116.8620	0.000	1	116.8620	0.000	1	117.5053	0.813	400	117.7756	1.240	828	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCH){1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC){3|C<3>}	119.2330	0.000	1	119.2330	0.000	1	117.7693	0.378	37	117.7756	1.240	828	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC){1|H<1>,2|C<3>}	118.5700	0.000	1	118.5700	0.000	1	117.7693	0.378	37	117.7756	1.240	828	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|H<1>,2|C<3>}	118.4660	0.000	1	118.4660	0.000	1	117.7693	0.378	37	117.7756	1.240	828	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|H<1>,2|C<3>}	117.7781	0.529	29	117.7781	0.280	29	117.7693	0.378	37	117.7756	1.240	828	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|H<1>,2|C<3>}	117.2480	0.206	4	117.1258	0.106	5	117.7693	0.378	37	117.7756	1.240	828	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO){1|C<3>,1|N<3>,1|O<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|O<2>,2|C<3>}	116.6370	0.000	1	117.1258	0.106	5	117.7693	0.378	37	117.7756	1.240	828	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C[5]-3:	C[6a]-3:N[6a]-2:C[5]-3:	N[6a](C[6a]C[6a]C[5])2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2)	N[6a](C[6a]C[6a]C[5])2{1|C<3>,2|H<1>,2|N<2>,2|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	116.8015	0.350	4	116.8010	0.078	8	116.8010	0.078	8	117.7756	1.240	828	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C[5]-3:	C[6a]-3:N[6a]-2:C[5]-3:	N[6a](C[6a]C[6a]C[5])2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2)	N[6a](C[6a]C[6a]C[5])2{1|C<3>,2|H<1>,2|N<2>,2|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	117.0650	0.000	1	116.8010	0.078	8	116.8010	0.078	8	117.7756	1.240	828	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C[5]-3:	C[6a]-3:N[6a]-2:C[5]-3:	N[6a](C[6a]C[6a]C[5])2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2)	N[6a](C[6a]C[6a]C[5])2{1|C<3>,2|H<1>,2|N<2>,2|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2){1|H<1>,2|C<4>,3|C<3>}	116.7430	0.000	1	116.8010	0.078	8	116.8010	0.078	8	117.7756	1.240	828	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C[5]-3:	C[6a]-3:N[6a]-2:C[5]-3:	N[6a](C[6a]C[6a]C[5])2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2)	N[6a](C[6a]C[6a]C[5])2{1|C<3>,2|H<1>,2|N<2>,2|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2){2|C<3>,2|C<4>,2|H<1>}	116.4910	0.000	1	116.8010	0.078	8	116.8010	0.078	8	117.7756	1.240	828	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C[5]-3:	C[6a]-3:N[6a]-2:C[5]-3:	N[6a](C[6a]C[6a]C[5])2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2)	N[6a](C[6a]C[6a]C[5])2{1|C<3>,2|H<1>,4|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2){1|Rh<6>,1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2){1|Rh<6>,1|C<4>,1|H<1>,4|C<3>}	116.9030	0.000	1	116.8010	0.078	8	116.8010	0.078	8	117.7756	1.240	828	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C[6]-3:	C[6a]-3:N[6a]-2:C[6]-3:	N[6a](C[6a]C[6a]C[6])2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]C[6]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]C[6]2)	N[6a](C[6a]C[6a]C[6])2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]C[6]2){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]C[6]2){1|N<3>,2|H<1>,4|C<3>}	118.5970	0.000	1	118.0049	0.212	10	118.1213	0.247	12	117.7756	1.240	828	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C[6]-3:	C[6a]-3:N[6a]-2:C[6]-3:	N[6a](C[6a]C[6a]C[6])2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]C[6]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]C[6]2)	N[6a](C[6a]C[6a]C[6])2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]C[6]2){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]C[6]2){2|H<1>,5|C<3>}	117.9391	0.436	9	118.0049	0.212	10	118.1213	0.247	12	117.7756	1.240	828	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C[6]-3:	C[6a]-3:N[6a]-2:C[6]-3:	N[6a](C[6a]C[6a]C[6])2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]N[6]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]N[6]2)	N[6a](C[6a]C[6a]C[6])2{1|C<3>,2|H<1>,2|N<2>,2|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]N[6]2){1|S<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]N[6]2){1|S<2>,2|H<1>,3|C<3>}	118.7035	0.009	2	118.7035	0.000	2	118.1213	0.247	12	117.7756	1.240	828	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]N)2	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(NHH)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]N)2{2|Br<1>,1|C<3>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|N<3>}	119.7740	0.000	1	119.7740	0.000	1	118.3370	1.249	271	117.7756	1.240	828	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]N)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCC)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]N)2{1|C<3>,2|C<2>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|N<3>}	120.5450	0.000	1	120.5450	0.000	1	118.3370	1.249	271	117.7756	1.240	828	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]N)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C)	N[6a](C[6a]C[6a]N)2{3|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	121.4070	0.310	2	121.4070	0.096	2	118.3370	1.249	271	117.7756	1.240	828	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]N)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C)	N[6a](C[6a]C[6a]N)2{1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	118.4168	0.914	4	118.4168	0.835	4	118.3370	1.249	271	117.7756	1.240	828	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]N)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H)	N[6a](C[6a]C[6a]N)2{1|C<3>,2|C<2>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H){1|C<3>,1|H<1>,1|N<3>}	119.5770	0.213	4	119.5770	0.045	4	118.3370	1.249	271	117.7756	1.240	828	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]N)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]N)2{1|C<3>,2|C<2>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH){1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH){1|N<3>,2|C<3>}	118.6370	0.000	1	118.6370	0.000	1	118.3370	1.249	271	117.7756	1.240	828	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]N)2	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(NHH)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]N)2{2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|N<3>}	120.4193	0.180	3	120.4193	0.032	3	118.3370	1.249	271	117.7756	1.240	828	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]N)2	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(NOO)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NOO)	N[6a](C[6a]C[6a]N)2{1|Cl<1>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NOO){1|C<3>,1|H<1>,1|N<3>}	116.9010	0.000	1	116.9010	0.000	1	118.3370	1.249	271	117.7756	1.240	828	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]N)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC)	N[6a](C[6a]C[6a]N)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC){1|C<3>,1|H<1>,1|N<3>}	117.9525	1.389	2	117.9525	1.931	2	118.3370	1.249	271	117.7756	1.240	828	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]N)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]N)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|H<1>,1|N<3>}	117.8280	0.892	42	117.8280	0.795	42	118.3370	1.249	271	117.7756	1.240	828	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]N)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]N)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|N<3>}	118.3250	0.000	1	118.3250	0.000	1	118.3370	1.249	271	117.7756	1.240	828	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]N)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCN)	N[6a](C[6a]C[6a]N)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCN){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCN){1|C<3>,1|H<1>,1|N<3>}	118.4130	0.269	2	118.4130	0.072	2	118.3370	1.249	271	117.7756	1.240	828	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]N)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCO)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCO)	N[6a](C[6a]C[6a]N)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCO){1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCO){1|N<3>,2|C<3>}	115.0880	0.000	1	115.0880	0.000	1	118.3370	1.249	271	117.7756	1.240	828	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]N)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]2)	N[6a](C[6a]C[6a]N)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]2){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]2){1|C<3>,1|H<1>,1|N<3>}	119.0910	0.000	1	119.0910	0.000	1	118.3370	1.249	271	117.7756	1.240	828	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]N)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]2)	N[6a](C[6a]C[6a]N)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]2){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]2){1|C<3>,1|H<1>,1|N<3>}	117.2280	0.000	1	117.2280	0.000	1	118.3370	1.249	271	117.7756	1.240	828	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]N)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C)	N[6a](C[6a]C[6a]N)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]2){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	118.7135	0.404	8	118.7135	0.163	8	118.3370	1.249	271	117.7756	1.240	828	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]N)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]2)	N[6a](C[6a]C[6a]N)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]2){1|C<3>,1|H<1>,1|N<3>}	118.3305	0.383	4	118.3305	0.147	4	118.3370	1.249	271	117.7756	1.240	828	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]N)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C)	N[6a](C[6a]C[6a]N)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	118.5528	0.967	109	118.5528	0.934	109	118.3370	1.249	271	117.7756	1.240	828	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]N)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H)	N[6a](C[6a]C[6a]N)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H){1|C<3>,1|H<1>,1|N<3>}	117.4544	0.842	13	117.4544	0.709	13	118.3370	1.249	271	117.7756	1.240	828	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]N)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]H)	N[6a](C[6a]C[6a]N)2{1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]H){1|C<3>,1|H<1>,1|N<3>}	120.1290	0.379	2	120.1290	0.144	2	118.3370	1.249	271	117.7756	1.240	828	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]N)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C)	C[6a](C[6a]C[6a]S)(N[6a]C[6a])(NC[6a]C)	N[6a](C[6a]C[6a]N)2{1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]S)(N[6a]C[6a])(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	119.0275	0.378	4	119.0275	0.143	4	118.3370	1.249	271	117.7756	1.240	828	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]N)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]N)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|H<1>,1|N<3>}	118.2480	0.365	6	118.2480	0.133	6	118.3370	1.249	271	117.7756	1.240	828	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]N)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H)	N[6a](C[6a]C[6a]N)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H){1|C<3>,1|H<1>,1|N<3>}	117.3607	0.750	16	117.3607	0.562	16	118.3370	1.249	271	117.7756	1.240	828	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]N)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]C)	N[6a](C[6a]C[6a]N)2{1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	119.4430	0.600	2	119.4430	0.360	2	118.3370	1.249	271	117.7756	1.240	828	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]N)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCuC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCuC)	N[6a](C[6a]C[6a]N)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCuC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCuC){1|C<3>,1|H<1>,1|N<3>}	117.9625	2.266	4	117.9625	5.134	4	118.3370	1.249	271	117.7756	1.240	828	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]N)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]N)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|N<3>}	118.2698	0.519	5	118.2698	0.269	5	118.3370	1.249	271	117.7756	1.240	828	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]N)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]N)2{1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|N<3>}	119.4680	0.396	3	119.4680	0.157	3	118.3370	1.249	271	117.7756	1.240	828	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]N)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHP)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHP)	N[6a](C[6a]C[6a]N)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHP){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHP){1|C<3>,1|C<4>,1|N<3>}	117.9270	0.000	1	118.2585	0.220	2	118.3370	1.249	271	117.7756	1.240	828	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]N)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHP)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHP)	N[6a](C[6a]C[6a]N)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHP){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHP){1|C<3>,1|H<1>,1|N<3>}	118.5900	0.000	1	118.2585	0.220	2	118.3370	1.249	271	117.7756	1.240	828	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]N)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NPdC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]N)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NPdC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|H<1>,1|N<3>}	118.7605	1.244	4	118.7605	1.549	4	118.3370	1.249	271	117.7756	1.240	828	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]N)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NSiB)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NSiB)	N[6a](C[6a]C[6a]N)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NSiB){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NSiB){1|C<3>,1|H<1>,1|N<3>}	118.3665	0.612	2	118.3665	0.374	2	118.3370	1.249	271	117.7756	1.240	828	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]N)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NZnC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NZnC)	N[6a](C[6a]C[6a]N)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NZnC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NZnC){1|C<3>,1|H<1>,1|N<3>}	117.4550	0.000	1	117.4550	0.000	1	118.3370	1.249	271	117.7756	1.240	828	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]N)2	C[6a](C[6a]N[6a]Cl)(N[6a]C[6a])(NHH)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]N)2{1|Cl<1>,1|C<3>,1|N<2>}	C[6a](C[6a]N[6a]Cl)(N[6a]C[6a])(NHH){1|C<3>,1|N<3>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(NHH){1|C<3>,1|N<3>}	118.7173	0.260	3	118.7173	0.068	3	118.3370	1.249	271	117.7756	1.240	828	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]N)2	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NC[6a]C)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NC[6a]C)	N[6a](C[6a]C[6a]N)2{1|N<2>,2|H<1>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NC[6a]C){1|C<3>,1|N<3>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NC[6a]C){1|C<3>,1|N<3>}	116.9652	1.040	8	116.9652	1.081	8	118.3370	1.249	271	117.7756	1.240	828	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]N)2	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(NCN)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(NCN)	N[6a](C[6a]C[6a]N)2{1|N<2>,2|N<3>}	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(NCN){1|C<3>,1|N<3>}	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(NCN){1|C<3>,1|N<3>}	119.3830	0.206	2	119.3830	0.043	2	118.3370	1.249	271	117.7756	1.240	828	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]N)2	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(NHH)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]N)2{1|N<2>,2|N<3>}	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(NHH){1|C<3>,1|N<3>}	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(NHH){1|C<3>,1|N<3>}	120.4830	0.044	2	120.4830	0.002	2	118.3370	1.249	271	117.7756	1.240	828	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]N)2	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(NOO)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(NOO)	N[6a](C[6a]C[6a]N)2{1|N<2>,2|N<3>}	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(NOO){1|C<3>,1|N<3>}	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(NOO){1|C<3>,1|N<3>}	118.1308	0.987	4	118.1308	0.974	4	118.3370	1.249	271	117.7756	1.240	828	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a,6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]N[5])	C[6a](C[6a]C[6a,6a]C)(N[6a]C[6a])(N[5]C[5]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]N[5]){1|C<2>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a,6a]C)(N[6a]C[6a])(N[5]C[5]2){1|C<3>,1|N<2>,1|N<3>,2|C<4>,4|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NHH){1|N<2>,1|N<3>,3|C<3>}	120.5012	0.540	4	120.5012	0.292	4	120.5012	0.292	4	117.7756	1.240	828	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]N){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2){2|C<3>,2|N<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|H<1>,1|N<3>}	116.7586	0.652	5	116.7586	0.425	5	117.1667	0.466	10	117.7756	1.240	828	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]N){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2){2|C<3>,2|N<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	117.7475	0.278	4	117.7475	0.077	4	117.1667	0.466	10	117.7756	1.240	828	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]N){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2){1|C<3>,1|N<2>,2|N<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|N<3>}	116.8840	0.000	1	116.8840	0.000	1	117.1667	0.466	10	117.7756	1.240	828	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:N[6a]-2:N[5]-3:	N[6a](C[6a]C[6a]N[5])2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[5]C[5]2)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[5]C[5]2)	N[6a](C[6a]C[6a]N[5])2{2|C<4>,5|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[5]C[5]2){2|C<3>,2|N<3>,3|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[5]C[5]2){2|C<3>,2|N<3>,3|H<1>}	115.5130	0.000	1	115.5130	0.000	1	116.2543	0.641	37	117.7756	1.240	828	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:N[6a]-2:N[5]-3:	N[6a](C[6a]C[6a]N[5])2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2)	N[6a](C[6a]C[6a]N[5])2{2|C<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2){2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2){2|C<3>,2|H<1>,2|N<3>}	116.9800	0.187	3	116.2749	0.643	36	116.2543	0.641	37	117.7756	1.240	828	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:N[6a]-2:N[5]-3:	N[6a](C[6a]C[6a]N[5])2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2)	N[6a](C[6a]C[6a]N[5])2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2){1|H<1>,1|N<3>,2|O<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2){1|H<1>,1|N<3>,2|O<1>,3|C<3>}	115.3780	0.000	1	116.2749	0.643	36	116.2543	0.641	37	117.7756	1.240	828	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:N[6a]-2:N[5]-3:	N[6a](C[6a]C[6a]N[5])2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2)	N[6a](C[6a]C[6a]N[5])2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2){1|S<1>,2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2){1|S<1>,2|C<3>,2|H<1>,2|N<3>}	117.2780	0.000	1	116.2749	0.643	36	116.2543	0.641	37	117.7756	1.240	828	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:N[6a]-2:N[5]-3:	N[6a](C[6a]C[6a]N[5])2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2)	N[6a](C[6a]C[6a]N[5])2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2){1|S<2>,2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2){1|S<2>,2|C<3>,2|H<1>,2|N<3>}	116.9380	0.000	1	116.2749	0.643	36	116.2543	0.641	37	117.7756	1.240	828	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:N[6a]-2:N[5]-3:	N[6a](C[6a]C[6a]N[5])2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2)	N[6a](C[6a]C[6a]N[5])2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2){1|Se<2>,2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2){1|Se<2>,2|C<3>,2|H<1>,2|N<3>}	116.5880	0.000	1	116.2749	0.643	36	116.2543	0.641	37	117.7756	1.240	828	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:N[6a]-2:N[5]-3:	N[6a](C[6a]C[6a]N[5])2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2)	N[6a](C[6a]C[6a]N[5])2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2){2|C<3>,2|N<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2){2|C<3>,2|N<3>,3|H<1>}	116.1646	0.807	29	116.2749	0.643	36	116.2543	0.641	37	117.7756	1.240	828	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[6]-3:	C[6a,6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]N[6])	C[6a](C[6a]C[6a,6a]C)(N[6a]C[6a])(N[6]C[6]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]N[6]){1|C<2>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a,6a]C)(N[6a]C[6a])(N[6]C[6]2){1|C<3>,1|N<2>,1|N<3>,2|C<4>,4|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NHH){1|N<2>,1|N<3>,3|C<3>}	120.8315	0.435	2	120.8315	0.189	2	120.8315	0.189	2	117.7756	1.240	828	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[6]-3:	C[6a]-3:N[6a]-2:C-3:	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]C)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[6]C[6]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHO)	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]C){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[6]C[6]2){2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHO){1|C<3>,1|H<1>,1|N<3>}	118.1480	0.000	1	118.1480	0.000	1	118.1480	0.000	1	117.7756	1.240	828	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[6]-3:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[6]C[6]2)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]N){1|C<3>,2|C<2>,2|C<4>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[6]C[6]2){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH){1|N<3>,2|C<3>}	119.0580	0.154	2	119.0580	0.024	2	119.0580	0.024	2	117.7756	1.240	828	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:3:	C[6a]-3:C[6a]-3:	N[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(NCC)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){1|C<3>,1|C<4>,1|N<2>}	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(NCC){1|C<3>,1|N<3>,1|O<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH){1|O<1>,2|N<3>}	118.8100	0.000	1	118.8100	0.000	1	117.6557	1.213	37	117.7756	1.240	828	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:3:	C[6a]-3:C[6a]-3:	N[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(NCH)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){1|C<3>,1|C<4>,1|N<2>}	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(NCH){1|C<3>,1|N<3>,1|O<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH){1|O<1>,2|N<3>}	118.7129	0.443	14	118.7129	0.196	14	117.6557	1.213	37	117.7756	1.240	828	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:3:	C[6a]-3:C[6a]-3:	N[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(NHH)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]C)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){1|C<3>,1|C<4>,1|N<3>}	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(NHH){1|C<3>,1|N<3>,1|O<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]C){1|O<1>,2|N<3>}	118.6010	0.000	1	118.6010	0.000	1	117.6557	1.213	37	117.7756	1.240	828	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:3:	C[6a]-3:C[6a]-3:	N[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NCH)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){1|C<3>,1|H<1>,1|N<3>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|N<3>,1|O<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH){1|O<1>,2|N<3>}	116.5360	0.044	2	116.5360	0.002	2	117.6557	1.213	37	117.7756	1.240	828	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:3:	C[6a]-3:C[6a]-3:	N[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){1|C<3>,1|C<4>,1|H<1>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<3>,1|N<3>,1|O<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH){1|O<1>,2|N<3>}	116.6530	0.000	1	116.6530	0.000	1	117.6557	1.213	37	117.7756	1.240	828	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:3:	C[6a]-3:C[6a]-3:	N[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){1|C<3>,2|H<1>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<3>,1|N<3>,1|O<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C){1|O<1>,2|N<3>}	117.1750	0.000	1	117.1750	0.000	1	117.6557	1.213	37	117.7756	1.240	828	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:3:	C[6a]-3:C[6a]-3:	N[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){1|C<3>,2|H<1>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<3>,1|N<3>,1|O<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|O<1>,2|N<3>}	116.5668	0.461	13	116.5668	0.212	13	117.6557	1.213	37	117.7756	1.240	828	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:3:	C[6a]-3:C[6a]-3:	N[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){1|C<3>,1|H<1>,1|N<2>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<3>,1|N<3>,1|O<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH){1|O<1>,2|N<3>}	117.5605	0.087	2	117.5605	0.008	2	117.6557	1.213	37	117.7756	1.240	828	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:3:	C[6a]-3:C[6a]-3:	N[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]C)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){1|C<3>,1|H<1>,1|N<2>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<3>,1|N<3>,1|O<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]C){1|O<1>,2|N<3>}	117.5930	0.000	1	118.2395	0.836	2	117.6557	1.213	37	117.7756	1.240	828	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:3:	C[6a]-3:C[6a]-3:	N[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]C)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){1|C<3>,1|H<1>,1|N<3>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<3>,1|N<3>,1|O<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]C){1|O<1>,2|N<3>}	118.8860	0.000	1	118.2395	0.836	2	117.6557	1.213	37	117.7756	1.240	828	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:3:	C[6a]-3:C[6a]-3:	N[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]N[6a]N[5])(C[6a]C[6a]N)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(N[5]C[5]2)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH)	N[6a](C[6a]N[6a]N[5])(C[6a]C[6a]N){1|C<3>,1|N<2>,3|C<4>}	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(N[5]C[5]2){1|C<3>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH){1|O<1>,2|N<3>}	118.9350	0.000	1	118.9350	0.000	1	118.9350	0.000	1	117.7756	1.240	828	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:3:	C[6a]-3:C[6a]-3:	N[6a]-3:N[6a]-2:N[6]-3:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]N[6a]N[6])(C[6a]C[6a]N)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(N[6]C[6]2)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH)	N[6a](C[6a]N[6a]N[6])(C[6a]C[6a]N){1|C<3>,1|N<2>,3|C<4>}	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(N[6]C[6]2){1|C<3>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH){1|O<1>,2|N<3>}	118.3210	0.000	1	118.3210	0.000	1	118.6320	0.239	3	117.7756	1.240	828	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:3:	C[6a]-3:C[6a]-3:	N[6a]-3:N[6a]-2:N[6]-3:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]N[6a]N[6])(C[6a]C[6a]N)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(N[6]C[6]2)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH)	N[6a](C[6a]N[6a]N[6])(C[6a]C[6a]N){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(N[6]C[6]2){1|C<3>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH){1|O<1>,2|N<3>}	118.7875	0.578	2	118.7875	0.334	2	118.6320	0.239	3	117.7756	1.240	828	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NC[6a]H)	C[6a](C[6a]C[6a,6a]P)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]C){1|P<4>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NC[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]P)(N[6a]C[6a])(CH3){1|N<3>,2|C<3>}	120.2130	0.000	1	120.2130	0.000	1	120.2130	0.000	1	118.2512	1.651	145	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:N[6]-3:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a,6a]N[6])(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(N[6]C[6]2)	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a,6a]N[6])(C[6a]C[6a]C){2|C<4>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(N[6]C[6]2){1|O<2>,3|C<3>,3|C<4>,4|H<1>}	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a])(CH3){1|N<3>,4|C<3>}	120.2975	0.205	4	120.2975	0.042	4	119.8406	0.283	8	118.2512	1.651	145	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:N[6]-3:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a,6a]N[6])(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(N[6]C[6]2)	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a,6a]N[6])(C[6a]C[6a]C){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(N[6]C[6]2){1|C<2>,3|C<3>,3|C<4>,4|H<1>}	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(CH3){1|N<3>,2|C<3>}	119.3837	0.250	4	119.3837	0.063	4	119.8406	0.283	8	118.2512	1.651	145	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:As-3:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]As)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(AsC[6]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]As)(C[6a]C[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(AsC[6]2){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|As<3>,1|C<3>,1|H<1>}	117.9420	0.222	2	117.9420	0.049	2	117.9420	0.049	2	118.2512	1.651	145	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCC)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)2{1|C<2>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3){1|H<1>,2|C<3>}	126.3250	0.000	1	126.3250	0.000	1	118.2969	1.640	72	118.2512	1.651	145	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CNO)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)2{1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CNO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|H<1>,2|C<3>}	119.5760	0.000	1	119.5760	0.000	1	118.2969	1.640	72	118.2512	1.651	145	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|H<1>,2|C<3>}	118.7883	0.266	3	118.7883	0.071	3	118.2969	1.640	72	118.2512	1.651	145	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCCN)	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCCN){1|H<1>,2|C<3>}	118.6377	0.595	3	118.6377	0.354	3	118.2969	1.640	72	118.2512	1.651	145	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCO)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|H<1>,2|C<3>}	117.7910	0.484	2	117.7910	0.234	2	118.2969	1.640	72	118.2512	1.651	145	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO)	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO){1|H<1>,2|C<3>}	118.2967	0.240	3	118.2967	0.057	3	118.2969	1.640	72	118.2512	1.651	145	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNN){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|H<1>,2|C<3>}	117.7850	0.000	1	117.7850	0.000	1	118.2969	1.640	72	118.2512	1.651	145	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|H<1>,2|C<3>}	117.9943	0.553	11	117.7212	0.687	14	118.2969	1.640	72	118.2512	1.651	145	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|O<2>,2|C<3>}	116.7200	1.012	3	117.7212	0.687	14	118.2969	1.640	72	118.2512	1.651	145	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)2{1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(CH3){1|H<1>,2|C<3>}	117.3300	0.000	1	117.3300	0.000	1	118.2969	1.640	72	118.2512	1.651	145	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)2{1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3){3|C<3>}	117.9520	0.000	1	117.9520	0.000	1	118.2969	1.640	72	118.2512	1.651	145	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]CO)	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]CO){1|H<1>,2|C<3>}	117.3275	0.023	2	117.3275	0.001	2	118.2969	1.640	72	118.2512	1.651	145	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]HH)	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]HH){1|H<1>,2|C<3>}	118.0053	0.047	3	118.0053	0.002	3	118.2969	1.640	72	118.2512	1.651	145	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|H<1>,2|C<3>}	118.1455	0.999	18	118.1455	0.998	18	118.2969	1.640	72	118.2512	1.651	145	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO)	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO){1|H<1>,2|C<3>}	117.8950	0.000	1	117.8950	0.000	1	118.2969	1.640	72	118.2512	1.651	145	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5,6]HH)	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5,6]HH){1|H<1>,2|C<3>}	117.1430	0.318	3	117.1430	0.101	3	118.2969	1.640	72	118.2512	1.651	145	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CCH)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)2{1|C<3>,1|C<4>,1|N<2>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CCH){1|C<3>,1|C<4>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CH3){2|C<3>}	119.0120	0.000	1	119.0120	0.000	1	118.2969	1.640	72	118.2512	1.651	145	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(COO)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)2{1|C<3>,1|C<4>,1|N<2>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(COO){1|C<3>,1|C<4>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CH3){2|C<3>}	118.3002	0.449	5	118.3002	0.202	5	118.2969	1.640	72	118.2512	1.651	145	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(COO)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)2{1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(COO){1|C<3>,1|C<4>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CH3){2|C<3>}	119.1593	0.318	9	119.1593	0.101	9	118.2969	1.640	72	118.2512	1.651	145	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	N[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)(C[6a]N[6a]C)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CNO)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(CCCN)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]C){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CNO){1|C<4>,1|N<3>,1|O<1>}	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(CCCN){1|O<1>,2|C<3>}	119.5863	0.382	3	119.5863	0.146	3	118.3959	1.327	9	118.2512	1.651	145	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	N[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)(C[6a]N[6a]C)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CNO)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]C){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CNO){1|C<4>,1|N<3>,1|O<1>}	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(CH3){1|O<1>,2|C<3>}	118.3205	0.030	2	118.3205	0.001	2	118.3959	1.327	9	118.2512	1.651	145	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	N[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)(C[6a]N[6a]C)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(COO)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(CCCN)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]C){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(COO){1|C<4>,1|N<3>,1|O<1>}	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(CCCN){1|O<1>,2|C<3>}	119.0480	0.000	1	119.0480	0.000	1	118.3959	1.327	9	118.2512	1.651	145	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	N[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)(C[6a]N[6a]C)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(COO)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]C){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(COO){1|C<4>,1|N<3>,1|O<1>}	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(CH3){1|O<1>,2|C<3>}	117.2960	0.000	1	117.2960	0.000	1	118.3959	1.327	9	118.2512	1.651	145	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	N[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)(C[6a]N[6a]C)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(COO)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(CCCN)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]C){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(COO){1|C<4>,1|N<3>,1|O<1>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(CCCN){1|O<1>,2|C<3>}	116.8730	0.000	1	116.8730	0.000	1	118.3959	1.327	9	118.2512	1.651	145	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	N[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)(C[6a]N[6a]C)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(COO)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]C){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(COO){1|C<4>,1|N<3>,1|O<1>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(CH3){1|O<1>,2|C<3>}	116.9460	0.000	1	116.9460	0.000	1	118.3959	1.327	9	118.2512	1.651	145	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C[5]-3:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(C[5]N[5]2)	C[6a](C[6a]N[6a]C[5])(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C){1|C<3>,1|C<4>,1|N<2>,2|N<3>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(C[5]N[5]2){1|C<3>,2|O<1>,3|C<4>}	C[6a](C[6a]N[6a]C[5])(N[6a]C[6a])(CH3){2|C<3>,2|N<3>}	117.6820	0.000	1	117.6820	0.000	1	117.6820	0.000	1	118.2512	1.651	145	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<2>,2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3){1|C<3>,2|N<3>}	119.6230	0.000	1	119.6230	0.000	1	119.0023	0.854	17	118.2512	1.651	145	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<2>,2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3){1|N<3>,2|C<3>}	119.5440	0.000	1	119.5440	0.000	1	119.0023	0.854	17	118.2512	1.651	145	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCHH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<3>,2|C<2>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCHH){1|C<3>,2|N<3>}	118.1300	0.000	1	118.1300	0.000	1	119.0023	0.854	17	118.2512	1.651	145	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH)	C[6a](C[6a]C[6a]S)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<2>,1|C<3>,1|S<2>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]S)(N[6a]C[6a])(CH3){1|N<3>,2|C<3>}	119.3385	0.175	2	119.3385	0.031	2	119.0023	0.854	17	118.2512	1.651	145	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NAs2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NAs2){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|H<1>,1|N<3>}	120.6460	0.000	1	120.6460	0.000	1	119.0023	0.854	17	118.2512	1.651	145	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[5]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[5]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|H<1>,1|N<3>}	117.6000	0.000	1	117.6000	0.000	1	119.0023	0.854	17	118.2512	1.651	145	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[5]Ir)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[5]Ir){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|H<1>,1|N<3>}	117.5670	0.000	1	117.5670	0.000	1	119.0023	0.854	17	118.2512	1.651	145	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[5a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[5a]N){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|H<1>,1|N<3>}	117.7610	0.000	1	117.7610	0.000	1	119.0023	0.854	17	118.2512	1.651	145	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]C)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]C){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|H<1>,1|N<3>}	120.3180	0.000	1	120.3180	0.000	1	119.0023	0.854	17	118.2512	1.651	145	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]H)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(CH3){1|C<3>,1|H<1>,1|N<3>}	119.2370	0.000	1	119.2370	0.000	1	119.0023	0.854	17	118.2512	1.651	145	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|H<1>,1|N<3>}	119.3260	0.000	1	119.3260	0.000	1	119.0023	0.854	17	118.2512	1.651	145	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]Sn)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]Sn){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|H<1>,1|N<3>}	118.2680	0.006	2	118.2680	0.000	2	119.0023	0.854	17	118.2512	1.651	145	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NRuC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NRuC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|H<1>,1|N<3>}	119.4440	0.547	2	119.4440	0.300	2	119.0023	0.854	17	118.2512	1.651	145	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CF3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]H){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CF3){1|N<3>,2|C<3>}	119.1860	0.000	1	119.1860	0.000	1	119.0023	0.854	17	118.2512	1.651	145	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	N[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]C)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCC)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]C){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCC){1|C<4>,1|N<3>,1|O<1>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|N<3>,1|O<1>}	115.7650	0.000	1	115.7650	0.000	1	115.7650	0.000	1	118.2512	1.651	145	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|H<1>,1|N<3>}	117.8500	0.000	1	117.8500	0.000	1	116.7610	0.704	4	118.2512	1.651	145	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO){1|C<3>,1|H<1>,1|N<3>}	116.9780	0.000	1	116.9780	0.000	1	116.7610	0.704	4	118.2512	1.651	145	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)	C[6a](C[6a]C[6a]Ir)(N[6a]C[6a])(N[5]C[5]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC3)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C){1|Ir<8>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]Ir)(N[6a]C[6a])(N[5]C[5]2){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC3){1|C<3>,1|H<1>,1|N<3>}	115.9930	0.000	1	115.9930	0.000	1	116.7610	0.704	4	118.2512	1.651	145	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)	C[6a](C[6a]C[6a]Rh)(N[6a]C[6a])(N[5]C[5]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC3)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C){1|Rh<8>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]Rh)(N[6a]C[6a])(N[5]C[5]2){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC3){1|C<3>,1|H<1>,1|N<3>}	116.2230	0.000	1	116.2230	0.000	1	116.7610	0.704	4	118.2512	1.651	145	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:N[6a]-2:Si-4:	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]Si)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SiC3)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]Si){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2){1|Rh<6>,1|Si<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SiC3){1|C<3>,1|H<1>,1|N<3>}	119.1920	0.000	1	119.1920	0.000	1	119.1920	0.000	1	118.2512	1.651	145	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[6]-3:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]C)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[6]C[6]2)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCHH)	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]C){1|C<3>,1|H<1>,3|C<4>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[6]C[6]2){2|C<3>,3|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCHH){1|N<3>,2|C<3>}	118.6278	0.214	6	118.6278	0.046	6	118.6278	0.046	6	118.2512	1.651	145	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:P-3:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]P)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PC[6a]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]P){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PC[6a]2){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|H<1>,1|P<3>}	118.1610	0.249	4	118.1610	0.062	4	118.1610	0.062	4	118.2512	1.651	145	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:S-3:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SFe2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]S){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SFe2){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|H<1>,1|S<3>}	117.7060	0.000	1	117.7060	0.000	1	118.0220	0.275	3	118.2512	1.651	145	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:S-3:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SRh2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]S){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SRh2){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC3){1|C<3>,1|H<1>,1|S<3>}	118.1800	0.632	2	118.1800	0.400	2	118.0220	0.275	3	118.2512	1.651	145	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:4:	C[6a]-3:C[6a]-3:	N[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NCC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){1|C<3>,2|H<1>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NCC){1|C<3>,1|C<4>,1|O<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|O<1>,2|N<3>}	116.8658	0.103	4	116.8658	0.011	4	116.7169	0.180	16	118.2512	1.651	145	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:4:	C[6a]-3:C[6a]-3:	N[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NCH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){1|C<3>,2|H<1>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|C<4>,1|O<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|O<1>,2|N<3>}	116.9950	0.000	1	116.9950	0.000	1	116.7169	0.180	16	118.2512	1.651	145	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:4:	C[6a]-3:C[6a]-3:	N[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){1|C<3>,2|H<1>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H){1|C<3>,1|C<4>,1|O<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|O<1>,2|N<3>}	116.1060	0.049	2	116.1060	0.002	2	116.7169	0.180	16	118.2512	1.651	145	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:4:	C[6a]-3:C[6a]-3:	N[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){1|Br<1>,1|C<3>,1|H<1>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<3>,1|C<4>,1|O<1>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(CH3){1|O<1>,2|N<3>}	117.3590	0.296	2	117.3590	0.087	2	116.7169	0.180	16	118.2512	1.651	145	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:4:	C[6a]-3:C[6a]-3:	N[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){1|C<3>,1|C<4>,1|H<1>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<3>,1|C<4>,1|O<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3){1|O<1>,2|N<3>}	116.8200	0.231	4	116.8200	0.053	4	116.7169	0.180	16	118.2512	1.651	145	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:2:4:	C[6a]-3:C[6a]-3:	N[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){1|C<3>,2|H<1>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<3>,1|C<4>,1|O<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|O<1>,2|N<3>}	116.2673	0.135	3	116.2673	0.018	3	116.7169	0.180	16	118.2512	1.651	145	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a,6a]N[5])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(N[5]C[5]2)	C[6a](C[6a]C[6a,6a]I)(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a,6a]N[5])(C[6a]C[6a]2){1|I<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(N[5]C[5]2){1|H<1>,2|C<4>,2|O<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]I)(C[6a]C[6a]2)(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	118.1390	0.000	1	118.1390	0.000	1	118.1390	0.000	1	119.1774	1.746	5	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:N[6]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a,6a]N[6])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(N[6]C[6]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a,6a]N[6])(C[6a]C[6a]2){1|H<1>,2|C<4>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(N[6]C[6]2){1|N<2>,2|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	119.7185	0.037	2	119.7185	0.001	2	119.7185	0.001	2	119.1774	1.746	5	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C[6]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C[6])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]N[6]2)	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C[6]){1|C<3>,1|N<3>,1|S<2>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]N[6]2){1|S<2>,2|H<1>,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>}	117.5250	0.000	1	117.5250	0.000	1	117.5250	0.000	1	119.1774	1.746	5	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:3:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[6]-3:	C[6a]-3:N[5a]-3:N[6a]-2:	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]N[6])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[6]C[6]2)	C[6a](C[6a]C[6a]C)(N[5a]C[5a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]N[6]){2|C<2>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[6]C[6]2){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]C)(N[5a]C[5a]2)(N[6a]C[6a]){1|N<3>,3|C<3>,3|H<1>}	120.7860	0.000	1	120.7860	0.000	1	120.7860	0.000	1	119.1774	1.746	5	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	2:2:1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:C-4:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[5a,6a]C)(C[6a]N[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(CCCH)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]C)(C[6a]N[6a]H){2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(CCCH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|N<3>}	118.0010	0.000	1	118.0010	0.000	1	118.3746	0.175	7	116.2652	4.735	25	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	2:2:1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:C-4:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[5a,6a]C)(C[6a]N[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(CC[6a]HO)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]C)(C[6a]N[6a]H){2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(CC[6a]HO){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|S<2>}	118.2470	0.000	1	118.2470	0.000	1	118.3746	0.175	7	116.2652	4.735	25	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	2:2:1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:C-4:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[5a,6a]C)(C[6a]N[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CC[6a]CN)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]C)(C[6a]N[6a]H){1|C<3>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CC[6a]CN){1|C<3>,2|H<1>,2|N<2>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|N<2>}	118.3950	0.000	1	118.3950	0.000	1	118.3746	0.175	7	116.2652	4.735	25	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	2:2:1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:C-4:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[5a,6a]C)(C[6a]N[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CH3)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]C)(C[6a]N[6a]H){1|C<3>,1|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>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|N<3>}	118.4947	0.529	4	118.4947	0.279	4	118.3746	0.175	7	116.2652	4.735	25	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	2:2:1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:P-4:	N[6a]-2:N[6a]-2:Cl-1:	N[6a](C[6a]C[5a,6a]P)(C[6a]N[6a]Cl)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(PO3)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(Cl)	N[6a](C[6a]C[5a,6a]P)(C[6a]N[6a]Cl){1|C<3>,1|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>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(Cl){1|C<3>,1|N<3>,1|P<4>}	117.4980	0.000	1	117.4980	0.000	1	117.4980	0.000	1	116.2652	4.735	25	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	2:2:1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:P-4:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[5a,6a]P)(C[6a]N[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(PO3)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]P)(C[6a]N[6a]H){1|C<3>,1|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>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|C<3>,1|N<3>,1|P<4>}	117.8215	0.295	2	117.8215	0.087	2	117.8215	0.087	2	116.2652	4.735	25	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	2:2:1:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:S-4:	N[6a]-2:N[6a]-2:Cl-1:	N[6a](C[6a]C[6a,6a]S)(C[6a]N[6a]Cl)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(SC[6a]OO)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a,6a]S)(C[6a]N[6a]Cl){2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(SC[6a]OO){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(Cl){1|S<4>,2|C<3>}	114.5910	0.000	1	114.5910	0.000	1	114.5910	0.000	1	116.2652	4.735	25	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	2:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	N[6a]-2:N[6a]-2:Cl-1:	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(CH3)	C[6a](N[6a]C[6a])2(Cl)	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]C){1|C<3>,1|F<1>}	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(CH3){1|Cl<1>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(Cl){1|C<3>,1|C<4>,1|N<3>}	114.8920	0.000	1	114.8920	0.000	1	114.2855	0.736	2	116.2652	4.735	25	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	2:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	N[6a]-2:N[6a]-2:Cl-1:	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	C[6a](N[6a]C[6a])2(Cl)	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]C){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|Cl<1>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(Cl){1|C<3>,1|C<4>,1|N<3>}	113.6790	0.000	1	113.6790	0.000	1	114.2855	0.736	2	116.2652	4.735	25	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	2:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(CCCH)	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]H){1|C<3>,1|F<1>}	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(CCCH){1|N<2>,2|H<1>}	C[6a](N[6a]C[6a])2(H){1|C<3>,1|C<4>,1|H<1>}	118.8390	0.000	1	118.8390	0.000	1	116.5134	1.769	5	116.2652	4.735	25	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	2:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]H){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|N<2>,2|H<1>}	C[6a](N[6a]C[6a])2(H){1|C<3>,1|C<4>,1|H<1>}	115.9320	0.324	4	115.9320	0.105	4	116.5134	1.769	5	116.2652	4.735	25	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	2:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:S-4:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[6a]S)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SCOO)	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]S)(C[6a]N[6a]H){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SCOO){1|H<1>,1|N<2>,1|S<4>}	C[6a](N[6a]C[6a])2(H){1|C<3>,2|S<4>}	114.1627	2.053	7	114.1627	4.213	7	114.1627	4.213	7	116.2652	4.735	25	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	2:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	N[6a]-2:N[6a]-2:Cl-2:	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	C[6a](N[6a]C[6a])2(ClC[6a])	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]C){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|Cl<2>,1|C<1>,1|N<2>}	C[6a](N[6a]C[6a])2(ClC[6a]){1|C<1>,1|C<3>,1|C<4>}	114.7660	0.000	1	114.7660	0.000	1	114.7660	0.000	1	115.9677	0.502	67	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	2:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	N[6a]-2:N[6a]-2:N-2:	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	C[6a](N[6a]C[6a])2(NH)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<4>,2|N<2>}	C[6a](N[6a]C[6a])2(NH){1|C<3>,2|C<4>}	116.4695	0.032	2	116.4695	0.001	2	116.5423	0.464	24	115.9677	0.502	67	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	2:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	N[6a]-2:N[6a]-2:N-2:	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	C[6a](N[6a]C[6a])2(NS)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<4>,2|N<2>}	C[6a](N[6a]C[6a])2(NS){1|C<3>,2|C<4>}	116.2618	0.793	8	116.5490	0.507	22	116.5423	0.464	24	115.9677	0.502	67	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	2:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	N[6a]-2:N[6a]-2:N-2:	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	C[6a](N[6a]C[6a])2(NS)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|H<1>,2|N<2>}	C[6a](N[6a]C[6a])2(NS){1|C<3>,1|C<4>,1|H<1>}	116.7131	0.633	14	116.5490	0.507	22	116.5423	0.464	24	115.9677	0.502	67	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	2:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	N[6a]-2:N[6a]-2:O-2:	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CF3)	C[6a](N[6a]C[6a])2(OC[4])	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CF3){1|H<1>,1|N<2>,1|O<2>}	C[6a](N[6a]C[6a])2(OC[4]){1|C<3>,1|C<4>,1|H<1>}	115.0570	0.000	1	115.0570	0.000	1	115.0570	0.000	1	115.9677	0.502	67	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	2:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	N[6a]-2:N[6a]-2:S-2:	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCHH)	C[6a](N[6a]C[6a])2(SC)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S){1|C<2>,1|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCHH){1|N<2>,1|N<3>,1|S<2>}	C[6a](N[6a]C[6a])2(SC){1|C<3>,1|C<4>,1|N<3>}	115.3357	0.331	3	115.7940	0.306	6	115.6836	0.221	39	115.9677	0.502	67	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	2:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	N[6a]-2:N[6a]-2:S-2:	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCHH)	C[6a](N[6a]C[6a])2(SC)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S){1|C<2>,1|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCHH){1|N<2>,2|S<2>}	C[6a](N[6a]C[6a])2(SC){1|C<3>,1|C<4>,1|S<2>}	116.2523	0.160	3	115.7940	0.306	6	115.6836	0.221	39	115.9677	0.502	67	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	2:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	N[6a]-2:N[6a]-2:S-2:	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	C[6a](N[6a]C[6a])2(SC)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<4>,1|N<2>,1|S<2>}	C[6a](N[6a]C[6a])2(SC){1|C<3>,2|C<4>}	115.6311	0.448	20	115.6035	0.207	21	115.6836	0.221	39	115.9677	0.502	67	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	2:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	N[6a]-2:N[6a]-2:S-2:	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	C[6a](N[6a]C[6a])2(SC)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|N<2>,1|O<2>,1|S<2>}	C[6a](N[6a]C[6a])2(SC){1|C<3>,1|C<4>,1|O<2>}	115.0510	0.000	1	115.6035	0.207	21	115.6836	0.221	39	115.9677	0.502	67	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	2:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	N[6a]-2:N[6a]-2:S-2:	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	C[6a](N[6a]C[6a])2(SC[5])	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<4>,1|N<2>,1|S<2>}	C[6a](N[6a]C[6a])2(SC[5]){1|C<3>,2|C<4>}	115.5775	0.101	2	115.5775	0.010	2	115.6836	0.221	39	115.9677	0.502	67	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	2:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	N[6a]-2:N[6a]-2:S-2:	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	C[6a](N[6a]C[6a])2(SC[6])	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<4>,1|N<2>,1|S<2>}	C[6a](N[6a]C[6a])2(SC[6]){1|C<3>,2|C<4>}	115.6497	0.339	4	115.6497	0.115	4	115.6836	0.221	39	115.9677	0.502	67	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	2:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	N[6a]-2:N[6a]-2:S-2:	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	C[6a](N[6a]C[6a])2(SC[6a])	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<4>,1|N<2>,1|S<2>}	C[6a](N[6a]C[6a])2(SC[6a]){1|C<3>,2|C<4>}	115.4510	0.078	2	115.4510	0.006	2	115.6836	0.221	39	115.9677	0.502	67	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	2:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	N[6a]-2:N[6a]-2:S-2:	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	C[6a](N[6a]C[6a])2(SPd)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<4>,1|N<2>,1|S<2>}	C[6a](N[6a]C[6a])2(SPd){1|C<3>,2|C<4>}	116.2560	0.795	2	116.2560	0.632	2	115.6836	0.221	39	115.9677	0.502	67	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	2:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	N[6a]-2:N[6a]-2:S-2:	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	C[6a](N[6a]C[6a])2(SPt)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<4>,1|N<2>,1|S<2>}	C[6a](N[6a]C[6a])2(SPt){1|C<3>,2|C<4>}	116.0285	0.718	2	116.0285	0.515	2	115.6836	0.221	39	115.9677	0.502	67	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	2:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	N[6a]-2:N[6a]-2:Se-2:	N[6a](C[6a]N[6a]Se)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	C[6a](N[6a]C[6a])2(SeSn)	N[6a](C[6a]N[6a]Se)(C[6a]C[6a]C){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|Se<2>,1|C<4>,1|N<2>}	C[6a](N[6a]C[6a])2(SeSn){1|C<3>,2|C<4>}	115.6675	0.708	2	115.6675	0.501	2	115.6675	0.501	2	115.9677	0.502	67	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	2:2:3:	C[6a]-3:C[6a]-3:	C[5,6a]-3:N[6a]-2:C-4:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[5,6a]C)(C[6a]N[6a]N)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(CH3)	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(NCC)	N[6a](C[6a]C[5,6a]C)(C[6a]N[6a]N){1|C<3>,1|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(CH3){1|N<2>,1|N<3>,2|C<4>,2|H<1>}	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(NCC){1|C<3>,2|C<4>}	117.1710	0.000	1	117.1710	0.000	1	117.1710	0.000	1	116.3379	0.587	301	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(CCHH)	C[6a](N[6a]C[6a])2(NC[5]H)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){2|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(CCHH){1|N<2>,2|C<3>,2|N<3>}	C[6a](N[6a]C[6a])2(NC[5]H){1|C<3>,1|C<4>,1|N<3>}	116.3050	0.000	1	116.3050	0.000	1	116.3534	0.558	292	116.3379	0.587	301	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(CCHH)	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){2|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(CCHH){1|N<2>,2|C<3>,2|N<3>}	C[6a](N[6a]C[6a])2(NHH){1|C<3>,1|C<4>,1|N<3>}	116.1850	0.537	5	116.1850	0.288	5	116.3534	0.558	292	116.3379	0.587	301	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(CH3)	C[6a](N[6a]C[6a])2(NCH)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){1|Br<1>,1|C<3>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(CH3){1|N<2>,2|N<3>}	C[6a](N[6a]C[6a])2(NCH){1|C<3>,1|C<4>,1|N<3>}	116.1610	0.000	1	116.1610	0.000	1	116.3534	0.558	292	116.3379	0.587	301	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(CH3)	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){1|Br<1>,1|C<3>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(CH3){1|N<2>,2|N<3>}	C[6a](N[6a]C[6a])2(NHH){1|C<3>,1|C<4>,1|N<3>}	116.4490	0.000	1	116.4490	0.000	1	116.3534	0.558	292	116.3379	0.587	301	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCCH)	C[6a](N[6a]C[6a])2(NCS)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCCH){1|C<3>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(NCS){1|C<4>,2|C<3>}	116.3810	0.407	3	116.5228	0.191	4	116.3534	0.558	292	116.3379	0.587	301	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCCH)	C[6a](N[6a]C[6a])2(NCS)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCCH){1|C<3>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(NCS){1|C<4>,2|C<3>}	116.9480	0.000	1	116.5228	0.191	4	116.3534	0.558	292	116.3379	0.587	301	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3)	C[6a](N[6a]C[6a])2(NCC)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3){1|N<2>,1|N<3>,1|O<2>}	C[6a](N[6a]C[6a])2(NCC){1|C<3>,1|C<4>,1|O<2>}	117.3970	0.000	1	117.3970	0.000	1	116.3534	0.558	292	116.3379	0.587	301	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3)	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3){1|C<3>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(NHH){1|C<4>,2|C<3>}	117.2890	0.000	1	117.2890	0.000	1	116.3534	0.558	292	116.3379	0.587	301	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3)	C[6a](N[6a]C[6a])2(NHS)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3){1|C<4>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(NHS){1|C<3>,2|C<4>}	115.1965	0.105	2	115.1965	0.011	2	116.3534	0.558	292	116.3379	0.587	301	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]HH)	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]HH){1|C<3>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(NHH){1|C<4>,2|C<3>}	116.2060	0.000	1	116.2060	0.000	1	116.3534	0.558	292	116.3379	0.587	301	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	C[6a](N[6a]C[6a])2(NCC)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<4>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(NCC){1|C<3>,2|C<4>}	115.9597	0.482	4	115.6517	0.399	6	116.3534	0.558	292	116.3379	0.587	301	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	C[6a](N[6a]C[6a])2(NCC)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|H<1>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(NCC){1|C<3>,1|C<4>,1|H<1>}	115.0355	0.398	2	115.6517	0.399	6	116.3534	0.558	292	116.3379	0.587	301	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	C[6a](N[6a]C[6a])2(NCH)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(NCH){1|C<4>,2|C<3>}	116.0840	0.143	2	115.8791	0.135	38	116.3534	0.558	292	116.3379	0.587	301	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	C[6a](N[6a]C[6a])2(NCH)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<4>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(NCH){1|C<3>,2|C<4>}	115.8647	0.378	35	115.8791	0.135	38	116.3534	0.558	292	116.3379	0.587	301	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	C[6a](N[6a]C[6a])2(NCH)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|N<2>,1|N<3>,1|O<2>}	C[6a](N[6a]C[6a])2(NCH){1|C<3>,1|C<4>,1|O<2>}	115.9730	0.000	1	115.8791	0.135	38	116.3534	0.558	292	116.3379	0.587	301	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	C[6a](N[6a]C[6a])2(NC[5a]H)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<4>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(NC[5a]H){1|C<3>,2|C<4>}	115.7332	0.322	10	115.7332	0.104	10	116.3534	0.558	292	116.3379	0.587	301	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	C[6a](N[6a]C[6a])2(NC[6a]H)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<4>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(NC[6a]H){1|C<3>,2|C<4>}	116.0820	0.411	13	116.0820	0.169	13	116.3534	0.558	292	116.3379	0.587	301	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<2>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(NHH){1|C<2>,1|C<3>,1|C<4>}	117.3465	0.868	2	117.0879	0.529	82	116.3534	0.558	292	116.3379	0.587	301	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(NHH){1|C<4>,2|C<3>}	116.7108	0.779	10	117.0879	0.529	82	116.3534	0.558	292	116.3379	0.587	301	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<4>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(NHH){1|C<3>,2|C<4>}	117.1260	0.698	61	117.0879	0.529	82	116.3534	0.558	292	116.3379	0.587	301	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|Cl<1>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(NHH){1|Cl<1>,1|C<3>,1|C<4>}	117.4567	0.287	8	117.0879	0.529	82	116.3534	0.558	292	116.3379	0.587	301	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|N<2>,2|N<3>}	C[6a](N[6a]C[6a])2(NHH){1|C<3>,1|C<4>,1|N<3>}	115.0660	0.000	1	117.0879	0.529	82	116.3534	0.558	292	116.3379	0.587	301	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	C[6a](N[6a]C[6a])2(NHN)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<4>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(NHN){1|C<3>,2|C<4>}	116.1005	0.890	2	116.1005	0.793	2	116.3534	0.558	292	116.3379	0.587	301	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	C[6a](N[6a]C[6a])2(NHS)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<4>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(NHS){1|C<3>,2|C<4>}	116.0807	0.676	52	116.1359	0.291	123	116.3534	0.558	292	116.3379	0.587	301	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	C[6a](N[6a]C[6a])2(NHS)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|H<1>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(NHS){1|C<3>,1|C<4>,1|H<1>}	116.1763	0.412	71	116.1359	0.291	123	116.3534	0.558	292	116.3379	0.587	301	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CH3)	C[6a](N[6a]C[6a])(N[6a]N[6a])(NHH)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){1|C<4>,1|N<2>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CH3){1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])(N[6a]N[6a])(NHH){1|C<3>,1|C<4>}	116.1350	0.000	1	116.1350	0.000	1	116.3534	0.558	292	116.3379	0.587	301	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	N[6a]-2:N[6a]-2:N[5]-3:	N[6a](C[6a]N[6a]N[5])(C[6a]C[6a]C)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	C[6a](N[6a]C[6a])2(N[5]C[5]2)	N[6a](C[6a]N[6a]N[5])(C[6a]C[6a]C){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<4>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(N[5]C[5]2){2|C<4>,2|O<1>,3|C<3>}	115.0853	0.806	4	115.0853	0.650	4	115.0853	0.650	4	116.3379	0.587	301	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	N[6a]-2:N[6a]-2:N[6]-3:	N[6a](C[6a]N[6a]N[6])(C[6a]C[6a]C)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	C[6a](N[6a]C[6a])2(N[6]C[6]2)	N[6a](C[6a]N[6a]N[6])(C[6a]C[6a]C){1|C<3>,1|H<1>,2|C<4>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|H<1>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(N[6]C[6]2){1|C<3>,3|C<4>,5|H<1>}	116.0150	0.000	1	116.0150	0.000	1	116.0150	0.000	1	116.3379	0.587	301	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	N[6a]-2:N[6a]-2:S-3:	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	C[6a](N[6a]C[6a])2(SFe2)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<4>,1|N<2>,1|S<3>}	C[6a](N[6a]C[6a])2(SFe2){1|C<3>,2|C<4>}	115.4480	0.085	2	115.4480	0.007	2	115.4480	0.007	2	116.3379	0.587	301	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	2:2:3:	C[6a]-3:C[6a]-3:	N[6a,6a]-3:N[6a]-2:C-4:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]N[6a,6a]C)(C[6a]N[6a]N)	C[6a](N[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CH3)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(NCC)	N[6a](C[6a]N[6a,6a]C)(C[6a]N[6a]N){2|C<3>}	C[6a](N[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CH3){1|C<3>,1|N<3>,1|O<1>,2|N<2>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(NCC){1|C<4>,1|N<2>,1|N<3>}	118.1000	0.000	1	118.1000	0.000	1	118.1000	0.000	1	116.3379	0.587	301	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	2:2:4:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:C-4:	N[6a]-2:N[6a]-2:C-4:	N[6a](C[6a]C[5a,6a]C)(C[6a]N[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CF3)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(CF3)	N[6a](C[6a]C[5a,6a]C)(C[6a]N[6a]C){1|C<3>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CF3){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(CF3){1|C<4>,2|C<3>}	115.7100	0.000	1	115.7100	0.000	1	115.7100	0.000	1	116.6899	1.651	21	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	2:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	N[6a]-2:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)(C[6a]N[6a]C)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(CCHN)	C[6a](N[6a]C[6a])2(CH3)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]C){1|Br<1>,1|C<3>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(CCHN){1|C<4>,1|H<1>,1|N<2>}	C[6a](N[6a]C[6a])2(CH3){1|C<3>,1|C<4>,1|H<1>}	117.7160	0.000	1	117.7160	0.000	1	116.5600	1.855	16	116.6899	1.651	21	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	2:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	N[6a]-2:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)(C[6a]N[6a]C)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(CH3)	C[6a](N[6a]C[6a])2(CH3)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]C){1|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(CH3){1|C<4>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(CH3){1|C<3>,1|C<4>,1|N<3>}	117.2561	0.668	10	117.2561	0.446	10	116.5600	1.855	16	116.6899	1.651	21	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	2:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	N[6a]-2:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)(C[6a]N[6a]C)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]HH)	C[6a](N[6a]C[6a])2(CH3)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]C){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]HH){1|C<3>,1|C<4>,1|N<2>}	C[6a](N[6a]C[6a])2(CH3){1|C<4>,2|C<3>}	116.7090	0.000	1	116.7090	0.000	1	116.5600	1.855	16	116.6899	1.651	21	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	2:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	N[6a]-2:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)(C[6a]N[6a]C)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	C[6a](N[6a]C[6a])2(CF3)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]C){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<4>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a])2(CF3){1|C<3>,1|C<4>,1|N<3>}	114.4935	0.419	4	114.4935	0.176	4	116.5600	1.855	16	116.6899	1.651	21	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	2:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	N[6a]-2:N[6a]-2:N-4:	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	C[6a](N[6a]C[6a])2(NSn3)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|H<1>,1|N<2>,1|N<4>}	C[6a](N[6a]C[6a])2(NSn3){1|C<3>,1|C<4>,1|H<1>}	117.4545	0.738	4	117.4545	0.545	4	117.4545	0.545	4	116.6899	1.651	21	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	2:3:2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:C-4:	N[6a]-2:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CCHH)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]C){4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CCHH){1|H<1>,1|N<2>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	116.7000	0.000	1	116.7000	0.000	1	116.7000	0.000	1	116.7000	0.000	1	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CCCH)	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CCCH){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(H){1|C<4>,2|C<3>}	119.2610	0.000	1	119.2610	0.000	1	119.4417	2.979	7	117.5397	1.504	389	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CCHH)	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CCHH){2|H<1>,3|C<3>}	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(H){1|C<4>,2|C<3>}	123.1860	0.000	1	123.1860	0.000	1	119.4417	2.979	7	117.5397	1.504	389	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CH3)	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CH3){2|H<1>,3|C<3>}	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(H){1|C<4>,2|C<3>}	119.2840	0.300	2	119.2840	0.090	2	119.4417	2.979	7	117.5397	1.504	389	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a])(CCCH)	C[6a](C[6a]N[5a,6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H){1|C<4>,1|N<2>,1|N<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a])(CCCH){1|H<1>,3|C<3>}	C[6a](C[6a]N[5a,6a]C)(N[6a]C[6a])(H){1|C<4>,2|C<3>}	118.2730	0.351	2	118.2730	0.123	2	119.4417	2.979	7	117.5397	1.504	389	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a])(CH3)	C[6a](C[6a]N[5a,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a])(CH3){1|H<1>,3|C<3>}	C[6a](C[6a]N[5a,6a]H)(N[6a]C[6a])(H){1|C<4>,2|C<3>}	118.5310	0.000	1	118.5310	0.000	1	119.4417	2.979	7	117.5397	1.504	389	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:1:	C[6a]-3:C[6a]-3:	C[6,6a]-3:N[6a]-2:C-4:	C[5a,6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6,6a]C)	C[6a](C[6,6a]C[5a,6,6a]C[6])(N[6a]C[6a])(CCHH)	C[6a](C[5a,6a]C[5a,6,6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6,6a]C){1|C<4>,2|C<3>}	C[6a](C[6,6a]C[5a,6,6a]C[6])(N[6a]C[6a])(CCHH){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6,6a]C[5a,6a])(N[6a]C[6a])(H){1|C<4>,1|N<3>,3|C<3>}	119.6070	0.000	1	119.6070	0.000	1	119.6070	0.000	1	117.5397	1.504	389	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:1:	C[6a]-3:C[6a]-3:	C[6,6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:F-1:	N[6a](C[6a]C[6,6a]C)(C[6a]C[6a]F)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(CCHH)	C[6a](C[6a]C[6,6a]C)(N[6a]C[6a])(F)	N[6a](C[6a]C[6,6a]C)(C[6a]C[6a]F){1|C<4>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(CCHH){1|F<1>,1|N<2>,1|O<1>,2|C<3>}	C[6a](C[6a]C[6,6a]C)(N[6a]C[6a])(F){1|C<3>,1|C<4>,1|N<2>}	117.7150	0.000	1	117.7150	0.000	1	117.7150	0.000	1	117.5397	1.504	389	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:1:	C[6a]-3:C[6a]-3:	C[6,6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6,6a]C)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(CH3)	C[6a](C[6a]C[6,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6,6a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(CH3){1|H<1>,1|N<4>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6,6a]H)(N[6a]C[6a])(H){1|C<4>,2|C<3>}	118.1260	0.000	1	118.1260	0.000	1	119.1825	2.232	2	117.5397	1.504	389	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:1:	C[6a]-3:C[6a]-3:	C[6,6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6,6a]C)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]O[6])(N[6a]C[6a])(CH3)	C[6a](C[6a]C[6,6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6,6a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6,6a]C[6,6a]O[6])(N[6a]C[6a])(CH3){1|H<1>,3|C<3>}	C[6a](C[6a]C[6,6a]C)(N[6a]C[6a])(H){1|C<4>,2|C<3>}	120.2390	0.000	1	120.2390	0.000	1	119.1825	2.232	2	117.5397	1.504	389	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CCCH)	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CCCH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(H){1|C<4>,2|C<3>}	119.1920	0.000	1	119.1920	0.000	1	118.2356	0.191	20	117.5397	1.504	389	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CCHO)	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CCHO){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(H){1|C<4>,2|C<3>}	117.5930	0.000	1	117.5930	0.000	1	118.2356	0.191	20	117.5397	1.504	389	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CC[6a]CH)	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CC[6a]CH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(H){1|C<4>,2|C<3>}	118.5245	0.306	2	118.5245	0.094	2	118.2356	0.191	20	117.5397	1.504	389	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CHHN)	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CHHN){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(H){1|C<4>,2|C<3>}	118.1799	0.364	16	118.1799	0.132	16	118.2356	0.191	20	117.5397	1.504	389	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:P-4:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a,6a]P)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(PC[6a]2Ir)	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]P)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(PC[6a]2Ir){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(H){1|P<4>,2|C<3>}	115.9375	0.466	2	115.9375	0.217	2	115.9375	0.217	2	117.5397	1.504	389	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:S-4:	C[6a]-3:N[6a]-2:Cl-1:	N[6a](C[6a]C[6a,6a]S)(C[6a]C[6a]Cl)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(SC[6a]OO)	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a,6a]S)(C[6a]C[6a]Cl){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(SC[6a]OO){1|Cl<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(Cl){1|S<4>,2|C<3>}	116.5600	0.000	1	116.5600	0.000	1	116.5600	0.000	1	117.5397	1.504	389	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:S-4:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a,6a]S)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(SC[6a]OO)	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]S)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(SC[6a]OO){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(H){1|S<4>,2|C<3>}	116.7380	0.000	1	116.7380	0.000	1	116.7380	0.000	1	117.5397	1.504	389	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:Br-1:	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCCH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCCH){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br){1|C<3>,1|C<4>,1|H<1>}	116.0510	0.000	1	116.0510	0.000	1	117.1896	0.763	14	117.5397	1.504	389	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:Br-1:	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHN){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br){1|C<3>,1|C<4>,1|H<1>}	117.7310	0.000	1	117.7310	0.000	1	117.1896	0.763	14	117.5397	1.504	389	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:Br-1:	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]HH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]HH){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br){1|C<3>,1|C<4>,1|H<1>}	117.4040	0.000	1	117.4040	0.000	1	117.1896	0.763	14	117.5397	1.504	389	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:Br-1:	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]C){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(Br){1|C<3>,1|C<4>,1|H<1>}	119.0740	0.000	1	119.0740	0.000	1	117.1896	0.763	14	117.5397	1.504	389	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:Br-1:	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br){1|C<3>,1|C<4>,1|H<1>}	116.5043	0.748	3	116.5043	0.560	3	117.1896	0.763	14	117.5397	1.504	389	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:Br-1:	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br){1|C<3>,1|C<4>,1|H<1>}	116.9020	0.507	4	116.9020	0.257	4	117.1896	0.763	14	117.5397	1.504	389	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:Br-1:	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]C){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CH3){1|Br<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br){1|C<3>,2|C<4>}	117.7770	0.366	2	117.7770	0.134	2	117.1896	0.763	14	117.5397	1.504	389	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:Br-1:	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(CC[6a]HH)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]C){1|H<1>,1|N<3>,1|O<1>}	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(CC[6a]HH){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(Br){1|C<3>,1|C<4>,1|H<1>}	117.7190	0.000	1	117.7190	0.000	1	117.1896	0.763	14	117.5397	1.504	389	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:Cl-1:	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CBr2H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CBr2H){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl){1|C<3>,1|C<4>,1|H<1>}	116.2370	0.000	1	116.2370	0.000	1	117.0590	0.602	3	117.5397	1.504	389	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:Cl-1:	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|Cl<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl){1|C<4>,2|C<3>}	117.7790	0.000	1	117.7790	0.000	1	117.0590	0.602	3	117.5397	1.504	389	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:Cl-1:	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl){1|C<3>,1|C<4>,1|H<1>}	117.1610	0.000	1	117.1610	0.000	1	117.0590	0.602	3	117.5397	1.504	389	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:F-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]F)	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(CCHH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(F)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]F){1|C<4>,2|C<3>}	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(CCHH){1|C<4>,1|F<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(F){1|C<3>,2|C<4>}	118.1230	0.000	1	118.1230	0.000	1	117.0930	2.122	2	117.5397	1.504	389	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:F-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]F)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(F)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]F){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(F){1|C<3>,1|C<4>,1|H<1>}	116.0630	0.000	1	116.0630	0.000	1	117.0930	2.122	2	117.5397	1.504	389	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(CH3)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(CH3){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(H){1|C<3>,2|C<4>}	118.6060	0.000	1	118.6060	0.000	1	117.4880	1.217	242	117.5397	1.504	389	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CC[6a]HH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CC[6a]HH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	117.8623	0.560	4	117.8623	0.313	4	117.4880	1.217	242	117.5397	1.504	389	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|N<3>}	116.9190	0.000	1	116.9190	0.000	1	117.4880	1.217	242	117.5397	1.504	389	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CHHN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CHHN){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|O<2>}	117.8630	0.000	1	117.8630	0.000	1	117.4880	1.217	242	117.5397	1.504	389	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CHHS)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CHHS){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|O<2>}	117.4380	0.339	3	117.4380	0.115	3	117.4880	1.217	242	117.5397	1.504	389	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CHHS)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CHHS){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|N<3>}	118.2430	0.000	1	117.4090	0.339	4	117.4880	1.217	242	117.5397	1.504	389	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CHHS)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CHHS){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|O<2>}	117.1310	0.210	3	117.4090	0.339	4	117.4880	1.217	242	117.5397	1.504	389	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CN[5a]CH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CN[5a]CH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|O<2>}	118.3300	0.000	1	118.3300	0.000	1	117.4880	1.217	242	117.5397	1.504	389	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CN[5a]HH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CN[5a]HH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|O<2>}	117.1185	0.019	2	117.1185	0.000	2	117.4880	1.217	242	117.5397	1.504	389	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(CH3){1|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	117.8120	0.000	1	117.2390	0.657	2	117.4880	1.217	242	117.5397	1.504	389	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(CH3){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	116.6660	0.000	1	117.2390	0.657	2	117.4880	1.217	242	117.5397	1.504	389	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCCH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,2|C<4>}	117.1910	0.000	1	117.1910	0.000	1	117.4880	1.217	242	117.5397	1.504	389	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<4>,2|C<3>}	118.0143	0.751	3	118.0143	0.564	3	117.4880	1.217	242	117.5397	1.504	389	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]HH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]HH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|O<2>}	116.3810	0.000	1	116.3810	0.000	1	117.4880	1.217	242	117.5397	1.504	389	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]Os2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]Os2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	117.2570	0.000	1	117.2570	0.000	1	117.4880	1.217	242	117.5397	1.504	389	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5a]2C)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5a]2C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	117.4420	0.000	1	117.4420	0.000	1	117.4880	1.217	242	117.5397	1.504	389	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5a]2H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5a]2H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	117.6627	0.642	7	117.6627	0.413	7	117.4880	1.217	242	117.5397	1.504	389	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5a]HH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5a]HH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	116.2460	0.000	1	116.2460	0.000	1	117.4880	1.217	242	117.5397	1.504	389	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5a]HO)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5a]HO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	116.8725	0.904	2	116.8725	0.818	2	117.4880	1.217	242	117.5397	1.504	389	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]2C)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]2C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	117.7194	0.344	5	117.7194	0.119	5	117.4880	1.217	242	117.5397	1.504	389	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]2H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]2H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	117.4080	0.373	6	117.4080	0.139	6	117.4880	1.217	242	117.5397	1.504	389	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]2Ir)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]2Ir){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	118.2720	0.000	1	118.2720	0.000	1	117.4880	1.217	242	117.5397	1.504	389	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]2N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]2N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	117.6418	0.417	9	117.6418	0.174	9	117.4880	1.217	242	117.5397	1.504	389	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]2O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]2O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	117.7064	0.506	26	117.7064	0.256	26	117.4880	1.217	242	117.5397	1.504	389	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]CH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]CH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	117.5561	1.078	8	117.5561	1.162	8	117.4880	1.217	242	117.5397	1.504	389	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]CO)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]CO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	117.8190	0.000	1	117.8190	0.000	1	117.4880	1.217	242	117.5397	1.504	389	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]FF)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]FF){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<4>,2|C<3>}	115.9340	0.000	1	115.9340	0.000	1	117.4880	1.217	242	117.5397	1.504	389	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]HH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,2|C<4>}	117.7530	0.000	1	117.6296	0.346	5	117.4880	1.217	242	117.5397	1.504	389	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]HH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]HH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	117.5987	0.675	4	117.6296	0.346	5	117.4880	1.217	242	117.5397	1.504	389	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]HN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]HN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	117.2246	0.456	5	117.2246	0.208	5	117.4880	1.217	242	117.5397	1.504	389	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]HO)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]HO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	117.2329	0.610	7	117.2329	0.373	7	117.4880	1.217	242	117.5397	1.504	389	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CF3)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CF3){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H){2|C<4>,3|C<3>}	116.2330	0.169	3	116.2330	0.028	3	117.4880	1.217	242	117.5397	1.504	389	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CFFH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CFFH){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<2>,1|C<3>,1|C<4>}	117.1780	0.000	1	117.1780	0.000	1	117.4880	1.217	242	117.5397	1.504	389	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,2|C<4>}	117.5350	0.000	1	116.8767	0.325	3	117.4880	1.217	242	117.5397	1.504	389	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|O<2>}	116.5475	0.009	2	116.8767	0.325	3	117.4880	1.217	242	117.5397	1.504	389	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,2|C<4>}	119.6615	2.638	4	117.9713	3.647	12	117.4880	1.217	242	117.5397	1.504	389	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|H<1>,1|P<4>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|P<4>}	118.0700	0.000	1	117.9713	3.647	12	117.4880	1.217	242	117.5397	1.504	389	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<4>,2|C<3>}	116.9914	0.426	7	117.9713	3.647	12	117.4880	1.217	242	117.5397	1.504	389	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5]HH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5]HH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|N<3>}	117.7430	0.000	1	117.7430	0.000	1	117.4880	1.217	242	117.5397	1.504	389	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]2H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]2H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	116.6530	0.000	1	116.8180	0.054	2	117.4880	1.217	242	117.5397	1.504	389	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]2H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]2H){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|C<4>}	116.9830	0.000	1	116.8180	0.054	2	117.4880	1.217	242	117.5397	1.504	389	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]CC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	117.4510	0.000	1	117.4510	0.000	1	117.4880	1.217	242	117.5397	1.504	389	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]HH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]HH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	117.4188	1.238	32	117.4188	1.532	32	117.4880	1.217	242	117.5397	1.504	389	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[6,6]HH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[6,6]HH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	116.7090	0.000	1	116.7090	0.000	1	117.4880	1.217	242	117.5397	1.504	389	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[6]HH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[6]HH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|O<2>}	117.1010	0.000	1	117.1010	0.000	1	117.4880	1.217	242	117.5397	1.504	389	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[6a]HH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[6a]HH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	117.4830	0.000	1	117.4830	0.000	1	117.4880	1.217	242	117.5397	1.504	389	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CP[5,5]HH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CP[5,5]HH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	117.1820	0.000	1	117.1820	0.000	1	117.4880	1.217	242	117.5397	1.504	389	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CH3){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,2|C<4>}	118.6270	0.707	2	119.4174	3.012	14	117.4880	1.217	242	117.5397	1.504	389	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CH3){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<4>,2|C<3>}	119.5491	1.839	12	119.4174	3.012	14	117.4880	1.217	242	117.5397	1.504	389	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CH3)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|N<2>,2|C<4>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CH3){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H){1|C<3>,1|C<4>}	117.0470	0.000	1	117.0470	0.000	1	117.4880	1.217	242	117.5397	1.504	389	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CH3)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CH3){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>}	117.7873	0.032	3	118.1455	0.302	11	117.4880	1.217	242	117.5397	1.504	389	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CH3)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CH3){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>}	118.2799	0.596	8	118.1455	0.302	11	117.4880	1.217	242	117.5397	1.504	389	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CSnHP)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CSnHP){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>}	116.7395	0.206	2	116.7395	0.042	2	117.4880	1.217	242	117.5397	1.504	389	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CCHO)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CCHO){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H){1|C<3>,1|C<4>}	116.3690	0.365	2	116.3690	0.133	2	117.4880	1.217	242	117.5397	1.504	389	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CC[6a]HH)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|N<2>,2|H<1>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CC[6a]HH){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>}	116.7120	0.000	1	116.7120	0.000	1	117.4880	1.217	242	117.5397	1.504	389	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CH3)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H){1|C<3>,1|C<4>}	116.6530	0.156	3	117.2920	0.285	22	117.4880	1.217	242	117.5397	1.504	389	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CH3)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H){1|C<3>,1|C<4>}	117.3929	0.501	19	117.2920	0.285	22	117.4880	1.217	242	117.5397	1.504	389	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CH3)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|N<2>,2|H<1>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>}	117.7580	0.000	1	117.7580	0.000	1	117.4880	1.217	242	117.5397	1.504	389	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CHHN)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|N<2>,2|H<1>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>}	116.1539	0.598	16	116.1539	0.358	16	117.4880	1.217	242	117.5397	1.504	389	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CHHS)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|N<2>,2|H<1>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CHHS){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>}	115.9453	0.017	3	115.9453	0.000	3	117.4880	1.217	242	117.5397	1.504	389	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:I-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]I)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(I)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]I){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|H<1>,1|I<1>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(I){1|C<3>,1|C<4>,1|H<1>}	118.0023	0.233	3	118.0023	0.054	3	118.0023	0.054	3	117.5397	1.504	389	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:S-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(S)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]S){1|C<2>,2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3){1|S<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(S){1|C<4>,2|C<3>}	120.3510	0.000	1	120.3510	0.000	1	120.3510	0.000	1	117.5397	1.504	389	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	N[6a]-3:N[6a]-2:O-1:	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	C[6a](N[6a]C[6a]2)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<4>,1|N<3>,1|O<1>}	C[6a](N[6a]C[6a]2)(N[6a]C[6a])(O){2|C<4>,3|C<3>}	119.2500	0.758	4	119.2500	0.575	4	119.0549	0.438	8	117.5397	1.504	389	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	N[6a]-3:N[6a]-2:O-1:	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|N<3>,1|O<1>}	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O){1|C<4>,2|C<3>}	119.2120	0.000	1	119.2570	0.004	2	119.0549	0.438	8	117.5397	1.504	389	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	N[6a]-3:N[6a]-2:O-1:	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<4>,1|N<3>,1|O<1>}	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O){1|C<3>,2|C<4>}	119.3020	0.000	1	119.2570	0.004	2	119.0549	0.438	8	117.5397	1.504	389	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	N[6a]-3:N[6a]-2:O-1:	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<4>,1|N<3>,1|O<1>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(O){1|C<3>,2|C<4>}	118.4625	0.636	2	118.4625	0.404	2	119.0549	0.438	8	117.5397	1.504	389	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	N[6a]-3:N[6a]-2:S-1:	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(S)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO){1|N<3>,1|O<1>,1|S<1>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(S){1|C<3>,1|C<4>,1|O<1>}	117.9640	0.000	1	117.9640	0.000	1	117.9640	0.000	1	117.5397	1.504	389	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-4:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(NCuHH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(NCuHH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<4>}	124.0470	0.000	1	124.0470	0.000	1	124.0470	0.000	1	117.5397	1.504	389	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-4:	N[6a]-3:N[6a]-2:O-1:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NH3)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NH3){1|H<1>,1|N<3>,1|O<1>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(O){1|C<3>,1|H<1>,1|N<4>}	124.1360	0.000	1	124.1360	0.000	1	124.1360	0.000	1	117.5397	1.504	389	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:P-4:	C[6a]-3:N[6a]-2:F-1:	N[6a](C[6a]C[6a]F)(C[6a]C[6a]P)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PC[6a]2Cu)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(F)	N[6a](C[6a]C[6a]F)(C[6a]C[6a]P){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PC[6a]2Cu){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(F){1|C<3>,1|H<1>,1|P<4>}	116.9320	0.229	2	116.9320	0.052	2	116.9320	0.052	2	117.5397	1.504	389	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:P-4:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]P)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PC[6a]2Ag)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]P){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PC[6a]2Ag){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|P<4>}	117.4533	1.018	13	117.4533	1.036	13	117.1356	0.724	73	117.5397	1.504	389	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:P-4:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]P)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PC[6a]2Au)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]P){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PC[6a]2Au){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|P<4>}	117.5385	1.600	2	117.5385	2.561	2	117.1356	0.724	73	117.5397	1.504	389	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:P-4:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]P)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PC[6a]2Cu)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]P){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PC[6a]2Cu){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|P<4>}	116.3815	0.320	2	117.5204	0.686	9	117.1356	0.724	73	117.5397	1.504	389	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:P-4:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]P)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PC[6a]2Cu)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]P){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PC[6a]2Cu){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|P<4>}	117.8459	0.584	7	117.5204	0.686	9	117.1356	0.724	73	117.5397	1.504	389	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:P-4:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]P)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PC[6a]2Fe)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]P){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PC[6a]2Fe){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|P<4>}	117.1368	0.703	4	117.1368	0.494	4	117.1356	0.724	73	117.5397	1.504	389	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:P-4:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]P)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PC[6a]2Pd)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]P){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PC[6a]2Pd){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|P<4>}	117.0665	1.097	8	117.0665	1.203	8	117.1356	0.724	73	117.5397	1.504	389	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:P-4:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]P)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PC[6a]2Pt)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]P){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PC[6a]2Pt){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|P<4>}	117.9055	0.678	2	117.9055	0.460	2	117.1356	0.724	73	117.5397	1.504	389	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:P-4:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]P)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PC[6a]2Rh)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]P){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PC[6a]2Rh){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|P<4>}	117.1910	0.016	2	117.1910	0.000	2	117.1356	0.724	73	117.5397	1.504	389	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:P-4:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]P)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PC[6a]2Ru)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]P){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PC[6a]2Ru){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|P<4>}	117.3017	0.353	3	117.3017	0.124	3	117.1356	0.724	73	117.5397	1.504	389	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:P-4:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]P)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PC[6a]2Se)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]P){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PC[6a]2Se){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|P<4>}	117.0650	0.000	1	117.0650	0.000	1	117.1356	0.724	73	117.5397	1.504	389	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:P-4:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]P)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PC[6a]IrC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]P){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PC[6a]IrC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|P<4>}	117.1915	0.319	2	117.1915	0.102	2	117.1356	0.724	73	117.5397	1.504	389	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:P-4:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]P)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PC[6a]NiC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]P){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PC[6a]NiC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|P<4>}	117.1096	0.505	8	117.1096	0.255	8	117.1356	0.724	73	117.5397	1.504	389	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:P-4:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]P)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PC[6a]PdC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]P){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PC[6a]PdC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|P<4>}	117.1480	0.240	4	117.1480	0.058	4	117.1356	0.724	73	117.5397	1.504	389	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:P-4:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]P)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PC[6a]PtC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]P){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PC[6a]PtC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|P<4>}	116.5365	0.493	4	116.5365	0.243	4	117.1356	0.724	73	117.5397	1.504	389	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:P-4:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]P)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PNiCC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]P){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PNiCC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|P<4>}	115.9130	0.682	4	115.9130	0.465	4	117.1356	0.724	73	117.5397	1.504	389	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:P-4:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]P)	C[6a](C[6a]C[6a]P)(N[6a]C[6a])(PC[6a]2Cu)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]P){1|C<3>,1|H<1>,1|P<4>}	C[6a](C[6a]C[6a]P)(N[6a]C[6a])(PC[6a]2Cu){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|P<4>}	117.9060	0.431	2	117.9060	0.186	2	117.1356	0.724	73	117.5397	1.504	389	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:P-4:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]P)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(PO3)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]P){1|N<2>,2|H<1>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(PO3){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|P<4>}	116.1560	0.000	1	116.1560	0.000	1	117.1356	0.724	73	117.5397	1.504	389	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:P-4:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]P)	C[6a](C[6a]N[6a]P)(N[6a]C[6a])(PC[6a]2Cu)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]P){1|H<1>,1|N<2>,1|P<4>}	C[6a](C[6a]N[6a]P)(N[6a]C[6a])(PC[6a]2Cu){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|P<4>}	116.3460	0.323	4	116.3460	0.104	4	117.1356	0.724	73	117.5397	1.504	389	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:S-4:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(SC[6]OO)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|N<2>,2|H<1>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(SC[6]OO){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|S<4>}	114.9720	0.000	1	114.9720	0.000	1	115.1510	0.033	3	117.5397	1.504	389	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:S-4:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(SC[6a]OO)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|N<2>,2|H<1>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(SC[6a]OO){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|S<4>}	115.2405	0.134	2	115.2405	0.018	2	115.1510	0.033	3	117.5397	1.504	389	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:2:	C[6a]-3:C[6a]-3:	C[6,6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:S-2:	N[6a](C[6a]C[6,6a]C)(C[6a]C[6a]S)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(CH3)	C[6a](C[6a]C[6,6a]C)(N[6a]C[6a])(SC)	N[6a](C[6a]C[6,6a]C)(C[6a]C[6a]S){1|C<2>,1|C<3>,1|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(CH3){1|H<1>,1|S<2>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6,6a]C)(N[6a]C[6a])(SC){1|C<3>,2|C<4>}	118.8817	0.125	4	118.8817	0.016	4	118.8817	0.016	4	117.5142	1.546	90	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:C-2:	N[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CH3)	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a])(CC)	N[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C){3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CH3){1|C<2>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a])(CC){1|C<4>,4|C<3>}	118.0560	0.000	1	118.0560	0.000	1	118.0560	0.000	1	117.5142	1.546	90	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:C-2:	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC)	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC){1|C<3>,1|C<4>,1|H<1>}	118.8780	0.000	1	118.8780	0.000	1	117.2147	0.576	12	117.5142	1.546	90	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:C-2:	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC)	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC){1|C<3>,1|C<4>,1|H<1>}	117.4945	0.406	4	117.4945	0.165	4	117.2147	0.576	12	117.5142	1.546	90	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:C-2:	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN)	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN){1|C<3>,1|C<4>,1|H<1>}	116.5900	0.136	2	116.5900	0.018	2	117.2147	0.576	12	117.5142	1.546	90	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:C-2:	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CH3)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CC)	N[6a](C[6a]C[6a]C)2{1|C<2>,1|C<4>,1|N<2>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CH3){1|C<2>,1|C<3>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CC){1|C<3>,1|C<4>}	117.8730	0.000	1	117.8730	0.000	1	117.2147	0.576	12	117.5142	1.546	90	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:C-2:	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CH3)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CN)	N[6a](C[6a]C[6a]C)2{1|C<2>,1|C<4>,1|N<2>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CH3){1|C<2>,1|C<3>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CN){1|C<3>,1|C<4>}	116.6668	0.330	4	116.6668	0.109	4	117.2147	0.576	12	117.5142	1.546	90	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:N-2:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<2>,2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3){1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NN){1|C<4>,2|C<3>}	118.3960	0.000	1	118.3960	0.000	1	118.4568	0.248	13	117.5142	1.546	90	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:N-2:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(CH3){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NN){1|C<3>,1|C<4>,1|H<1>}	118.6500	0.000	1	118.6500	0.000	1	118.4568	0.248	13	117.5142	1.546	90	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:N-2:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CBrHH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CBrHH){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC){1|C<3>,1|C<4>,1|H<1>}	118.2210	0.246	2	118.2210	0.061	2	118.4568	0.248	13	117.5142	1.546	90	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:N-2:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC){1|C<3>,1|C<4>,1|H<1>}	118.6760	0.496	7	118.6760	0.246	7	118.4568	0.248	13	117.5142	1.546	90	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:N-2:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC){1|C<3>,1|C<4>,1|H<1>}	118.2040	0.000	1	118.2040	0.000	1	118.4568	0.248	13	117.5142	1.546	90	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:N-2:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NN){1|C<3>,1|C<4>,1|H<1>}	117.5140	0.000	1	117.5140	0.000	1	118.4568	0.248	13	117.5142	1.546	90	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(CCHH)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C){4|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(CCHH){1|C<3>,1|H<1>,3|N<2>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{1|C<4>,3|C<3>,3|H<1>}	118.9910	0.573	2	118.9910	0.328	2	117.1046	1.352	15	117.5142	1.546	90	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(CC[6a]HH)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C){4|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(CC[6a]HH){1|C<3>,1|H<1>,3|N<2>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{1|C<3>,2|C<4>,2|H<1>,2|N<2>}	118.3590	0.072	2	118.3590	0.005	2	117.1046	1.352	15	117.5142	1.546	90	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCCN)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCCN){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{1|C<4>,3|C<3>,3|H<1>}	117.5125	0.480	2	117.5125	0.231	2	117.1046	1.352	15	117.5142	1.546	90	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH){1|C<3>,1|C<4>,1|N<2>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{2|C<4>,2|H<1>,3|C<3>}	116.0360	0.690	4	116.0360	0.476	4	117.1046	1.352	15	117.5142	1.546	90	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	C[6a](C[6a]N[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C){1|C<3>,1|H<1>,2|N<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|C<4>,1|N<2>}	C[6a](C[6a]N[6a]2)(N[6a]C[6a])2{2|C<4>,3|C<3>}	116.5400	0.214	5	116.5400	0.046	5	117.1046	1.352	15	117.5142	1.546	90	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:O-2:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(CC[5]HH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(CC[5]HH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|C<3>,1|C<4>,1|H<1>}	119.6640	0.000	1	119.6640	0.000	1	117.7010	0.821	19	117.5142	1.546	90	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:O-2:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCHH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O){1|C<2>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCHH){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC){1|C<4>,2|C<3>}	118.3053	0.368	3	118.3053	0.136	3	117.7010	0.821	19	117.5142	1.546	90	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:O-2:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCHH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCHH){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|C<3>,2|C<4>}	116.8275	0.800	2	116.8275	0.640	2	117.7010	0.821	19	117.5142	1.546	90	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:O-2:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CC[6]HH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CC[6]HH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|C<3>,1|C<4>,1|H<1>}	118.0487	0.542	3	118.0487	0.293	3	117.7010	0.821	19	117.5142	1.546	90	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:O-2:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(CC[6]HH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(CC[6]HH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|C<3>,1|C<4>,1|H<1>}	117.8600	0.000	1	117.8600	0.000	1	117.7010	0.821	19	117.5142	1.546	90	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:O-2:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(CH3){1|Ir<6>,1|N<3>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|Ir<6>,1|C<3>,1|C<4>}	117.5280	0.000	1	117.5280	0.000	1	117.7010	0.821	19	117.5142	1.546	90	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:O-2:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CF3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CF3){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|C<3>,1|C<4>,1|H<1>}	116.0140	0.000	1	116.0140	0.000	1	117.7010	0.821	19	117.5142	1.546	90	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:O-2:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC){1|C<3>,2|C<4>}	116.9170	0.000	1	117.7155	1.275	2	117.7010	0.821	19	117.5142	1.546	90	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:O-2:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC){1|C<3>,1|C<4>,1|H<1>}	118.5140	0.000	1	117.7155	1.275	2	117.7010	0.821	19	117.5142	1.546	90	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:O-2:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5]HH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5]HH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|C<3>,1|C<4>,1|H<1>}	117.9105	0.812	2	117.9105	0.660	2	117.7010	0.821	19	117.5142	1.546	90	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:O-2:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]HH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]HH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|C<3>,1|C<4>,1|H<1>}	117.6110	0.000	1	117.6110	0.000	1	117.7010	0.821	19	117.5142	1.546	90	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:O-2:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CH3)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O){1|H<1>,1|N<2>,1|N<3>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|O<2>}	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(OC){1|C<3>,1|C<4>}	116.8365	0.111	2	116.8365	0.012	2	117.7010	0.821	19	117.5142	1.546	90	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:S-2:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SC)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]S){1|C<2>,2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3){1|C<3>,1|N<3>,1|S<2>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SC){1|C<3>,1|C<4>,1|N<3>}	117.3170	0.000	1	118.1790	0.573	3	118.1082	1.078	13	117.5142	1.546	90	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:S-2:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SC)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]S){1|C<2>,2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3){1|S<2>,2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SC){1|C<4>,2|C<3>}	118.6100	0.178	2	118.1790	0.573	3	118.1082	1.078	13	117.5142	1.546	90	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:S-2:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SC)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]S){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|C<4>,1|S<2>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SC){1|C<3>,2|C<4>}	117.7719	0.795	8	117.7719	0.632	8	118.1082	1.078	13	117.5142	1.546	90	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:S-2:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SC[6])	N[6a](C[6a]C[6a]C)(C[6a]C[6a]S){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|C<4>,1|S<2>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SC[6]){1|C<3>,2|C<4>}	118.0490	0.000	1	118.0490	0.000	1	118.1082	1.078	13	117.5142	1.546	90	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:S-2:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SFe)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]S){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SFe){1|C<3>,1|C<4>,1|H<1>}	120.6460	0.000	1	120.6460	0.000	1	118.1082	1.078	13	117.5142	1.546	90	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	N[5]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a]N[6a]N[5])(C[6a]C[6a]C)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CF3)	C[6a](N[5]C[5]N[5])(N[6a]C[6a])2	N[6a](C[6a]N[6a]N[5])(C[6a]C[6a]C){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CF3){1|C<3>,1|N<2>,1|N<3>}	C[6a](N[5]C[5]N[5])(N[6a]C[6a])2{1|H<1>,2|C<4>,4|C<3>}	114.3640	0.000	1	114.3640	0.000	1	114.3640	0.000	1	117.5142	1.546	90	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	N[5a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	C[6a](N[5a]C[5a]N[5a])(N[6a]C[6a])2	N[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]C){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<4>,1|N<2>,1|N<3>}	C[6a](N[5a]C[5a]N[5a])(N[6a]C[6a])2{1|H<1>,2|C<4>,3|C<3>}	114.7747	0.628	4	114.7747	0.394	4	114.7747	0.394	4	117.5142	1.546	90	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	N[6a]-3:N[6a]-2:O-2:	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(CCHH)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(CCHH){1|N<3>,1|O<1>,1|O<2>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(OC){1|C<3>,1|C<4>,1|O<1>}	114.4760	0.000	1	114.4760	0.000	1	114.4760	0.000	1	117.5142	1.546	90	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	N[6a]-3:N[6a]-2:S-2:	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCHH)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(SC)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCHH){1|N<3>,1|O<1>,1|S<2>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(SC){1|C<3>,1|C<4>,1|O<1>}	117.6720	0.000	1	117.6720	0.000	1	116.9507	0.496	4	117.5142	1.546	90	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	N[6a]-3:N[6a]-2:S-2:	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CC[6]HH)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(SC)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CC[6]HH){1|N<3>,1|O<1>,1|S<2>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(SC){1|C<3>,1|C<4>,1|O<1>}	117.4350	0.000	1	117.4350	0.000	1	116.9507	0.496	4	117.5142	1.546	90	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	N[6a]-3:N[6a]-2:S-2:	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CC[6a]HH)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(SC)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CC[6a]HH){1|N<3>,1|O<1>,1|S<2>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(SC){1|C<3>,1|C<4>,1|O<1>}	116.3480	0.083	2	116.3480	0.007	2	116.9507	0.496	4	117.5142	1.546	90	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:P-4:	C[6a]-3:N[6a]-2:O-2:	N[6a](C[6a]C[6a]O)(C[6a]C[6a]P)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PC[6a]2Pt)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OH)	N[6a](C[6a]C[6a]O)(C[6a]C[6a]P){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PC[6a]2Pt){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OH){1|C<3>,1|H<1>,1|P<4>}	117.1890	0.000	2	117.1890	0.000	2	117.1890	0.000	2	117.5142	1.546	90	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:2:	C[6a]-3:C[6a]-3:	N[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:S-2:	N[6a](C[6a]C[6a]S)(C[6a]N[6a]C)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(CHHN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SC)	N[6a](C[6a]C[6a]S)(C[6a]N[6a]C){1|C<2>,1|C<3>,1|C<4>}	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(CHHN){1|C<3>,1|O<1>,1|S<2>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SC){1|C<4>,1|N<3>,1|O<1>}	117.7620	0.000	1	117.7620	0.000	1	117.7620	0.000	1	117.5142	1.546	90	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:3:	C[6a]-3:C[6a]-3:	C[5,6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[5,6a]C)(C[6a]C[6a]N)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(CH3)	C[6a](C[6a]C[5,6a]C[6a])(N[6a]C[6a])(NCC)	N[6a](C[6a]C[5,6a]C)(C[6a]C[6a]N){1|C<4>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(CH3){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	C[6a](C[6a]C[5,6a]C[6a])(N[6a]C[6a])(NCC){2|C<4>,3|C<3>}	119.9420	0.000	1	119.9420	0.000	1	119.9420	0.000	1	118.4511	0.697	81	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:3:	C[6a]-3:C[6a]-3:	C[5,6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:N[6]-3:	N[6a](C[6a]C[6a]N[6])(C[6a]C[5,6a]C)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(CH3)	C[6a](C[6a]C[5,6a]H)(N[6a]C[6a])(N[6]C[6]2)	N[6a](C[6a]C[6a]N[6])(C[6a]C[5,6a]C){1|C<3>,1|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(CH3){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6a](C[6a]C[5,6a]H)(N[6a]C[6a])(N[6]C[6]2){1|C<3>,4|C<4>,4|H<1>}	119.3020	0.000	1	119.3020	0.000	1	119.3020	0.000	1	118.4511	0.697	81	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:3:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:C-3:	N[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CC[5a]HN)	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(COO)	N[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]C){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CC[5a]HN){1|H<1>,4|C<3>}	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(COO){1|C<4>,2|C<3>}	118.2170	0.000	1	118.2170	0.000	1	118.8950	0.919	2	118.4511	0.697	81	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:3:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:C-3:	N[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CC[6]HH)	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(COO)	N[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]C){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CC[6]HH){1|H<1>,4|C<3>}	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(COO){1|C<4>,2|C<3>}	119.5730	0.000	1	119.5730	0.000	1	118.8950	0.919	2	118.4511	0.697	81	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:C-3:	N[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CC[5]HH)	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C){3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CC[5]HH){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a])(COO){1|C<4>,4|C<3>}	119.2650	0.000	1	119.2650	0.000	1	118.7575	0.515	2	118.4511	0.697	81	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:C-3:	N[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CC[6a]HH)	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CC[6a]HH){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(COO){1|C<4>,2|C<3>}	118.2500	0.000	1	118.2500	0.000	1	118.7575	0.515	2	118.4511	0.697	81	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:N[5]-3:	N[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]N[5])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CC[6a]HH)	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(N[5]C[5]2)	N[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]N[5]){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CC[6a]HH){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(N[5]C[5]2){2|C<3>,3|C<4>,4|H<1>}	119.1580	0.000	1	119.1580	0.000	1	119.1580	0.000	1	118.4511	0.697	81	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(CH3)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){2|Br<1>,1|C<3>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(CH3){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(NHH){1|C<3>,1|C<4>,1|H<1>}	120.6290	0.000	1	120.6290	0.000	1	118.3947	0.693	73	118.4511	0.697	81	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCHH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCC)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<2>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCHH){1|C<2>,1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCC){1|C<2>,1|C<3>,1|C<4>}	122.2360	0.000	1	122.2360	0.000	1	118.3947	0.693	73	118.4511	0.697	81	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCHH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<2>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCHH){1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH){1|C<4>,2|C<3>}	118.6390	0.300	3	118.6390	0.090	3	118.3947	0.693	73	118.4511	0.697	81	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCHH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<2>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCHH){1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH){1|C<4>,2|C<3>}	118.8220	0.000	1	119.2285	0.330	2	118.3947	0.693	73	118.4511	0.697	81	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCHH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<2>,2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCHH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH){1|C<3>,1|C<4>,1|H<1>}	119.6350	0.000	1	119.2285	0.330	2	118.3947	0.693	73	118.4511	0.697	81	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CF3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CF3){1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<4>,2|C<3>}	117.6360	0.000	1	117.6360	0.000	1	118.3947	0.693	73	118.4511	0.697	81	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<3>,2|C<4>}	117.4850	0.000	1	117.4850	0.000	1	118.3947	0.693	73	118.4511	0.697	81	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(CH3)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(CH3){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(NHH){1|C<3>,1|C<4>,1|H<1>}	121.0290	0.000	1	121.0290	0.000	1	118.3947	0.693	73	118.4511	0.697	81	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CBr2H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CBr2H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|C<4>,1|H<1>}	117.9780	0.000	1	117.9780	0.000	1	118.3947	0.693	73	118.4511	0.697	81	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CBrHH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CBrHH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|C<4>,1|H<1>}	118.0190	0.000	1	118.0190	0.000	1	118.3947	0.693	73	118.4511	0.697	81	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CBrHO)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CBrHO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|C<4>,1|H<1>}	117.1530	0.000	1	117.1530	0.000	1	118.3947	0.693	73	118.4511	0.697	81	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|C<4>,1|H<1>}	117.4870	0.000	1	117.4870	0.000	1	118.3947	0.693	73	118.4511	0.697	81	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH){1|C<3>,2|C<4>}	117.8420	0.000	1	117.8420	0.000	1	118.3947	0.693	73	118.4511	0.697	81	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|C<4>}	117.6496	0.733	5	118.2864	0.324	41	118.3947	0.693	73	118.4511	0.697	81	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|C<4>,1|H<1>}	118.3748	0.493	36	118.2864	0.324	41	118.3947	0.693	73	118.4511	0.697	81	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCS)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCS){1|C<3>,1|C<4>,1|H<1>}	118.0680	0.000	1	118.0680	0.000	1	118.3947	0.693	73	118.4511	0.697	81	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H){1|C<3>,2|C<4>}	118.1795	0.330	2	118.1795	0.109	2	118.3947	0.693	73	118.4511	0.697	81	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<3>,1|C<4>,1|H<1>}	118.4290	0.000	1	118.4290	0.000	1	118.3947	0.693	73	118.4511	0.697	81	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHP)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHP){1|C<3>,1|C<4>,1|H<1>}	118.0980	0.000	1	118.0980	0.000	1	118.3947	0.693	73	118.4511	0.697	81	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NOO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NOO){1|C<3>,1|C<4>,1|H<1>}	118.5060	0.000	1	118.5060	0.000	1	118.3947	0.693	73	118.4511	0.697	81	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|C<4>,1|H<1>}	118.1165	0.410	6	118.1165	0.168	6	118.3947	0.693	73	118.4511	0.697	81	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<3>,1|C<4>,1|H<1>}	118.6430	0.000	1	118.6430	0.000	1	118.3947	0.693	73	118.4511	0.697	81	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|C<4>,1|H<1>}	118.2930	0.240	2	118.2930	0.058	2	118.3947	0.693	73	118.4511	0.697	81	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<3>,1|C<4>,1|H<1>}	118.2340	0.000	1	118.2340	0.000	1	118.3947	0.693	73	118.4511	0.697	81	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCC)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CH3){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCC){1|C<3>,2|C<4>}	119.5780	0.000	1	119.5780	0.000	1	118.3947	0.693	73	118.4511	0.697	81	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:P-4:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]N)(C[6a]C[6a]P)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PC[6a]2Ru)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]N)(C[6a]C[6a]P){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PC[6a]2Ru){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|H<1>,1|P<4>}	118.0210	0.000	1	118.0210	0.000	1	118.0210	0.000	1	118.4511	0.697	81	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:4:	C[6a]-3:C[6a]-3:	C[5,6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[5,6a]C)(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]C[5,6])(N[6a]C[6a])(CH3)	C[6a](C[6a]C[5,6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[5,6a]C)(C[6a]C[6a]C){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(N[6a]C[6a])(CH3){2|C<4>,4|C<3>}	C[6a](C[6a]C[5,6a]H)(N[6a]C[6a])(CH3){1|C<4>,2|C<3>}	119.4980	0.321	2	119.4980	0.103	2	119.6214	0.357	5	118.8859	1.096	515	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:4:	C[6a]-3:C[6a]-3:	C[5,6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[5,6a]C)(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(CC3)	C[6a](C[6a]C[5,6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[5,6a]C)(C[6a]C[6a]C){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(CC3){1|C<4>,1|O<1>,3|C<3>}	C[6a](C[6a]C[5,6a]H)(N[6a]C[6a])(CH3){1|C<4>,2|C<3>}	120.4440	0.000	1	120.4440	0.000	1	119.6214	0.357	5	118.8859	1.096	515	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:4:	C[6a]-3:C[6a]-3:	C[5,6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[5,6a]C)(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(CH3)	C[6a](C[6a]C[5,6a]C)(N[6a]C[6a])(CC[6a]CH)	N[6a](C[6a]C[5,6a]C)(C[6a]C[6a]C){1|C<3>,2|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(CH3){1|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[5,6a]C)(N[6a]C[6a])(CC[6a]CH){1|C<3>,2|C<4>}	119.8090	0.000	1	119.8090	0.000	1	119.6214	0.357	5	118.8859	1.096	515	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:4:	C[6a]-3:C[6a]-3:	C[5,6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[5,6a]C)(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]Si[5])(N[6a]C[6a])(CCHH)	C[6a](C[6a]C[5,6a]H)(N[6a]C[6a])(CCHH)	N[6a](C[6a]C[5,6a]C)(C[6a]C[6a]C){1|Si<4>,1|C<3>,1|H<1>}	C[6a](C[5,6a]C[5,6a]Si[5])(N[6a]C[6a])(CCHH){1|C<3>,1|O<2>,4|C<4>}	C[6a](C[6a]C[5,6a]H)(N[6a]C[6a])(CCHH){1|C<3>,2|C<4>}	118.8580	0.000	1	118.8580	0.000	1	119.6214	0.357	5	118.8859	1.096	515	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:4:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a])(CC[6a]HH)	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]C){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a])(CC[6a]HH){1|C<4>,1|N<3>,3|C<3>}	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|C<4>,1|N<3>}	118.8940	0.000	1	118.8940	0.000	1	118.8940	0.000	1	118.8859	1.096	515	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:4:	C[6a]-3:C[6a]-3:	C[6,6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6,6a]C)(C[6a]C[6a]C)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(CH3)	C[6a](C[6a]C[6,6a]C)(N[6a]C[6a])(CBrHH)	N[6a](C[6a]C[6,6a]C)(C[6a]C[6a]C){3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(CH3){1|C<4>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6,6a]C)(N[6a]C[6a])(CBrHH){1|C<4>,2|C<3>}	118.2400	0.000	1	118.2400	0.000	1	119.5200	1.231	3	118.8859	1.096	515	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:4:	C[6a]-3:C[6a]-3:	C[6,6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6,6a]C)(C[6a]C[6a]C)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(CH3)	C[6a](C[6a]C[6,6a]C)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6,6a]C)(C[6a]C[6a]C){3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(CH3){1|C<4>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6,6a]C)(N[6a]C[6a])(CH3){1|C<4>,2|C<3>}	120.1600	0.059	2	120.1600	0.004	2	119.5200	1.231	3	118.8859	1.096	515	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:C-4:	C[6a,6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a,6a]C)2	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a])(CCHH)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a])(CCHH)	N[6a](C[6a]C[6a,6a]C)2{3|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a])(CCHH){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a])(CCHH){1|C<4>,1|H<1>,3|C<3>}	120.9265	0.281	2	120.9265	0.079	2	120.9265	0.079	2	118.8859	1.096	515	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:As-4:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]As)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(AsC[6a]2O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]As)(C[6a]C[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(AsC[6a]2O){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|As<4>,1|C<3>,1|H<1>}	117.1400	0.564	3	117.1400	0.318	3	117.1400	0.318	3	118.8859	1.096	515	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)2{3|C<3>}	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3){1|C<3>,1|C<4>,1|H<1>}	121.0590	0.000	1	121.0590	0.000	1	118.9181	1.054	481	118.8859	1.096	515	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(CC3)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(CF3)	N[6a](C[6a]C[6a]C)2{3|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(CC3){1|C<4>,4|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(CF3){1|C<4>,4|C<3>}	119.9920	0.000	1	119.9920	0.000	1	118.9181	1.054	481	118.8859	1.096	515	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)2{3|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(CH3){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3){1|C<3>,1|C<4>,1|H<1>}	121.6310	0.000	1	121.6310	0.000	1	118.9181	1.054	481	118.8859	1.096	515	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCHH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)2{1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCHH){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3){1|C<3>,2|C<4>}	119.6920	0.000	1	119.6920	0.000	1	118.9181	1.054	481	118.8859	1.096	515	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)2{1|C<3>,2|C<2>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3){1|C<2>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3){1|C<2>,1|C<3>,1|C<4>}	119.5780	0.000	1	119.5557	0.100	37	118.9181	1.054	481	118.8859	1.096	515	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)2{1|C<3>,2|C<2>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3){1|C<3>,2|C<4>}	119.4520	0.249	2	119.5557	0.100	37	118.9181	1.054	481	118.8859	1.096	515	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)2{1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3){1|C<3>,1|C<4>,1|H<1>}	119.8407	0.221	3	119.5557	0.100	37	118.9181	1.054	481	118.8859	1.096	515	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)2{3|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3){1|C<2>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3){1|C<2>,1|C<3>,1|C<4>}	119.4809	0.162	19	119.5557	0.100	37	118.9181	1.054	481	118.8859	1.096	515	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)2{3|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3){1|C<3>,1|C<4>,1|H<1>}	120.5990	0.000	1	119.5557	0.100	37	118.9181	1.054	481	118.8859	1.096	515	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)2{3|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3){1|C<4>,2|C<3>}	119.5292	0.385	11	119.5557	0.100	37	118.9181	1.054	481	118.8859	1.096	515	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)2{1|C<2>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CH3){1|C<3>,2|C<4>}	118.9180	0.000	1	118.9180	0.000	1	118.9181	1.054	481	118.8859	1.096	515	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)2{3|C<3>}	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3){1|C<3>,1|C<4>,1|H<1>}	120.9480	0.000	1	120.9480	0.000	1	118.9181	1.054	481	118.8859	1.096	515	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(CH3)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)2{3|C<3>}	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(CH3){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(CH3){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	120.5595	0.904	2	120.5595	0.818	2	118.9181	1.054	481	118.8859	1.096	515	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CBrHH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CBrHH)	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CBrHH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CBrHH){1|C<3>,1|C<4>,1|H<1>}	117.5530	0.000	1	117.5530	0.000	1	118.9181	1.054	481	118.8859	1.096	515	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH)	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH){1|C<3>,1|C<4>,1|H<1>}	118.6535	0.790	14	118.6535	0.625	14	118.9181	1.054	481	118.8859	1.096	515	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|C<4>,1|H<1>}	118.7825	0.754	4	118.7825	0.568	4	118.9181	1.054	481	118.8859	1.096	515	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHN)	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHN){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHN){1|C<3>,1|C<4>,1|H<1>}	118.6230	0.000	1	118.6230	0.000	1	118.9181	1.054	481	118.8859	1.096	515	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCOO)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCOO)	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCOO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCOO){1|C<3>,1|C<4>,1|H<1>}	118.0060	0.000	1	118.0060	0.000	1	118.9181	1.054	481	118.8859	1.096	515	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]HH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CBrHH)	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]HH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CBrHH){1|C<3>,1|C<4>,1|H<1>}	117.9250	0.000	1	117.9250	0.000	1	118.9181	1.054	481	118.8859	1.096	515	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]HH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]HH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|C<4>,1|H<1>}	118.7965	0.824	2	118.7965	0.679	2	118.9181	1.054	481	118.8859	1.096	515	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]HH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]HH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,1|C<4>,1|H<1>}	118.5690	0.000	1	118.5690	0.000	1	118.9181	1.054	481	118.8859	1.096	515	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5a]CH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5a]CH)	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5a]CH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5a]CH){1|C<3>,1|C<4>,1|H<1>}	118.7140	0.000	1	118.7140	0.000	1	118.9181	1.054	481	118.8859	1.096	515	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]2O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]2O)	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]2O){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]2O){1|C<3>,1|C<4>,1|H<1>}	119.1945	0.182	2	119.1945	0.033	2	118.9181	1.054	481	118.8859	1.096	515	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]HH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]HH)	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]HH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]HH){1|C<3>,1|C<4>,1|H<1>}	117.9640	0.000	1	117.9640	0.000	1	118.9181	1.054	481	118.8859	1.096	515	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]2C)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]2C)	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]2C){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]2C){1|C<3>,1|C<4>,1|H<1>}	119.7060	0.000	1	119.7060	0.000	1	118.9181	1.054	481	118.8859	1.096	515	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]2H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]2H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|C<4>,1|H<1>}	118.4710	0.000	1	118.4710	0.000	1	118.9181	1.054	481	118.8859	1.096	515	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]2O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]2O)	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]2O){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]2O){1|C<3>,1|C<4>,1|H<1>}	118.9560	0.000	1	118.9560	0.000	1	118.9181	1.054	481	118.8859	1.096	515	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]HH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH)	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH){1|C<3>,1|C<4>,1|H<1>}	117.7405	0.105	2	117.7405	0.011	2	118.9181	1.054	481	118.8859	1.096	515	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]HH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]HH)	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]HH){1|C<3>,1|C<4>,1|H<1>}	119.2115	0.310	2	119.2115	0.096	2	118.9181	1.054	481	118.8859	1.096	515	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]HH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]HH)	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	119.3080	0.000	1	119.3080	0.000	1	118.9181	1.054	481	118.8859	1.096	515	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CClHH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CClHH)	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CClHH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CClHH){1|C<3>,1|C<4>,1|H<1>}	117.4060	0.000	1	117.4060	0.000	1	118.9181	1.054	481	118.8859	1.096	515	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CGeHP)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHP)	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CGeHP){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHP){1|C<3>,1|C<4>,1|H<1>}	117.4395	0.005	2	117.4395	0.000	2	118.9181	1.054	481	118.8859	1.096	515	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<2>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<2>,1|C<3>,1|C<4>}	117.8950	0.862	3	119.4739	2.005	36	118.9181	1.054	481	118.8859	1.096	515	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|C<4>,1|H<1>}	119.5483	0.892	9	119.4739	2.005	36	118.9181	1.054	481	118.8859	1.096	515	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,2|C<4>}	120.0878	1.410	19	119.4739	2.005	36	118.9181	1.054	481	118.8859	1.096	515	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<4>,2|C<3>}	117.9546	0.279	5	119.4739	2.005	36	118.9181	1.054	481	118.8859	1.096	515	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CC3)	N[6a](C[6a]C[6a]C)2{1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CC3){1|C<4>,2|C<3>}	119.5490	0.000	1	119.5490	0.000	1	118.9181	1.054	481	118.8859	1.096	515	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|C<4>,1|H<1>}	118.1987	0.753	10	118.1987	0.566	10	118.9181	1.054	481	118.8859	1.096	515	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,1|C<4>,1|H<1>}	118.1748	0.506	35	118.1838	0.252	36	118.9181	1.054	481	118.8859	1.096	515	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|Cl<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|Cl<1>,1|C<3>,1|C<4>}	118.4980	0.000	1	118.1838	0.252	36	118.9181	1.054	481	118.8859	1.096	515	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO)	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO){1|C<3>,1|C<4>,1|H<1>}	118.0212	0.318	4	118.0212	0.101	4	118.9181	1.054	481	118.8859	1.096	515	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|C<4>,1|H<1>}	119.5640	0.000	1	119.5640	0.000	1	118.9181	1.054	481	118.8859	1.096	515	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO)	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO){1|C<3>,1|C<4>,1|H<1>}	118.0731	0.607	22	118.0731	0.368	22	118.9181	1.054	481	118.8859	1.096	515	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHP)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC3)	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHP){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC3){1|C<3>,2|C<4>}	118.2990	0.000	1	118.2990	0.000	1	118.9181	1.054	481	118.8859	1.096	515	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHP)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHP){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|C<4>,1|H<1>}	118.2528	0.364	9	118.2528	0.132	9	118.9181	1.054	481	118.8859	1.096	515	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHP)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHP)	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHP){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHP){1|C<3>,1|C<4>,1|H<1>}	118.1276	0.730	7	118.1276	0.534	7	118.9181	1.054	481	118.8859	1.096	515	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHS)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHS)	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHS){1|Br<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHS){1|Br<1>,1|C<3>,1|C<4>}	117.7710	0.000	1	118.0752	0.290	16	118.9181	1.054	481	118.8859	1.096	515	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHS)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHS)	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHS){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHS){1|C<3>,1|C<4>,1|H<1>}	118.1681	0.506	13	118.0752	0.290	16	118.9181	1.054	481	118.8859	1.096	515	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHS)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHS)	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHS){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHS){1|C<3>,1|C<4>,1|N<3>}	118.1990	0.000	1	118.0752	0.290	16	118.9181	1.054	481	118.8859	1.096	515	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHS)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHS)	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHS){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHS){1|C<4>,2|C<3>}	117.0480	0.000	1	118.0752	0.290	16	118.9181	1.054	481	118.8859	1.096	515	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHOO)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHOO)	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHOO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHOO){1|C<3>,1|C<4>,1|H<1>}	117.4600	0.000	1	117.4600	0.000	1	118.9181	1.054	481	118.8859	1.096	515	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHPP)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHPP){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|C<4>,1|H<1>}	118.2800	0.202	2	118.2800	0.041	2	118.9181	1.054	481	118.8859	1.096	515	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5]2H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5]2H)	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5]2H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5]2H){1|C<3>,1|C<4>,1|H<1>}	117.0675	0.238	2	117.0675	0.057	2	118.9181	1.054	481	118.8859	1.096	515	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5]HH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5]HH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|C<4>,1|H<1>}	118.1822	0.155	4	118.1822	0.024	4	118.9181	1.054	481	118.8859	1.096	515	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5]HH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5]HH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,1|C<4>,1|H<1>}	118.1210	0.000	1	118.1210	0.000	1	118.9181	1.054	481	118.8859	1.096	515	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5]HH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO)	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5]HH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO){1|C<3>,1|C<4>,1|H<1>}	117.7370	0.000	1	117.7370	0.000	1	118.9181	1.054	481	118.8859	1.096	515	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5]HH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5]HH)	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5]HH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5]HH){1|C<3>,1|C<4>,1|H<1>}	118.2913	1.785	3	118.2913	3.188	3	118.9181	1.054	481	118.8859	1.096	515	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]2H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]2H)	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]2H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]2H){1|C<3>,1|C<4>,1|H<1>}	117.4163	0.027	3	117.4163	0.001	3	118.9181	1.054	481	118.8859	1.096	515	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]HH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5]HH)	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]HH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5]HH){1|C<3>,1|C<4>,1|H<1>}	118.3770	0.000	1	118.3770	0.000	1	118.9181	1.054	481	118.8859	1.096	515	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]HH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]HH)	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]HH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]HH){1|C<3>,1|C<4>,1|H<1>}	118.2237	0.521	7	118.2237	0.272	7	118.9181	1.054	481	118.8859	1.096	515	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[6]HH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHS)	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[6]HH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHS){1|C<3>,1|C<4>,1|H<1>}	117.8150	0.000	1	117.8150	0.000	1	118.9181	1.054	481	118.8859	1.096	515	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[6]HH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[6]HH)	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[6]HH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[6]HH){1|C<3>,1|C<4>,1|H<1>}	117.8242	0.505	5	117.8242	0.255	5	118.9181	1.054	481	118.8859	1.096	515	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CP[5]HH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CP[5]HH)	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CP[5]HH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CP[5]HH){1|C<3>,1|C<4>,1|H<1>}	118.0950	0.000	1	118.0950	0.000	1	118.9181	1.054	481	118.8859	1.096	515	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CSeHH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CSeHH)	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CSeHH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CSeHH){1|C<3>,1|C<4>,1|H<1>}	118.3015	1.466	2	118.3015	2.149	2	118.9181	1.054	481	118.8859	1.096	515	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CSi3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CSi3){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|C<4>,1|H<1>}	122.4455	0.689	2	122.4455	0.475	2	118.9181	1.054	481	118.8859	1.096	515	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CSiHH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CSiHH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|C<4>,1|H<1>}	118.2998	0.163	4	118.2998	0.027	4	118.9181	1.054	481	118.8859	1.096	515	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]Ir)(N[6a]C[6a])(CF3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CF3)	N[6a](C[6a]C[6a]C)2{1|Ir<6>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Ir)(N[6a]C[6a])(CF3){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CF3){1|C<4>,2|C<3>}	118.2210	0.722	12	118.2210	0.521	12	118.9181	1.054	481	118.8859	1.096	515	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CCHH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)2{1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CCHH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|C<4>,1|H<1>}	120.6870	0.000	1	120.6870	0.000	1	118.9181	1.054	481	118.8859	1.096	515	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CBrHH)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CBrHH)	N[6a](C[6a]C[6a]C)2{1|N<2>,2|C<4>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CBrHH){1|C<3>,1|C<4>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CBrHH){1|C<3>,1|C<4>}	116.9370	1.280	2	116.9370	1.638	2	118.9181	1.054	481	118.8859	1.096	515	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CC[5a]HH)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)2{1|C<4>,1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CC[5a]HH){1|C<3>,1|C<4>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|C<4>}	118.1650	0.000	1	118.1650	0.000	1	118.9181	1.054	481	118.8859	1.096	515	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CH3)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)2{1|N<2>,2|C<4>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CH3){1|C<3>,1|C<4>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CH3){1|C<3>,1|C<4>}	119.4048	0.771	181	119.4048	0.594	181	118.9181	1.054	481	118.8859	1.096	515	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CHHN)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CHHN)	N[6a](C[6a]C[6a]C)2{1|N<2>,2|C<4>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CHHN){1|C<3>,1|C<4>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CHHN){1|C<3>,1|C<4>}	117.9810	0.692	2	117.9810	0.478	2	118.9181	1.054	481	118.8859	1.096	515	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CHHO)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CHHO)	N[6a](C[6a]C[6a]C)2{1|N<2>,2|C<4>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CHHO){1|C<3>,1|C<4>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CHHO){1|C<3>,1|C<4>}	118.0740	0.000	1	118.0740	0.000	1	118.9181	1.054	481	118.8859	1.096	515	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CHHS)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CHHS)	N[6a](C[6a]C[6a]C)2{1|N<2>,2|C<4>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CHHS){1|C<3>,1|C<4>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CHHS){1|C<3>,1|C<4>}	118.2616	0.509	8	118.2616	0.259	8	118.9181	1.054	481	118.8859	1.096	515	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CP[6]HH)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)2{1|N<2>,2|C<4>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CP[6]HH){1|C<3>,1|C<4>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CH3){1|C<3>,1|C<4>}	118.9290	0.000	1	118.9290	0.000	1	118.9181	1.054	481	118.8859	1.096	515	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CH3)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)2{1|N<2>,2|H<1>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|C<4>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|C<4>}	117.8990	0.754	3	117.8990	0.568	3	118.9181	1.054	481	118.8859	1.096	515	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CH3)	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)2{1|H<1>,1|N<3>,1|O<1>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(CH3){1|C<3>,1|C<4>,1|H<1>}	119.3730	0.000	1	119.3730	0.000	1	118.9181	1.054	481	118.8859	1.096	515	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:N-4:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCCH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CH3){1|C<3>,1|C<4>,1|N<4>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCCH){1|C<3>,2|C<4>}	117.6620	0.000	1	117.6620	0.000	1	117.6620	0.000	1	118.8859	1.096	515	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	N[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)(C[6a]N[6a]C)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]C){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3){1|C<4>,1|N<3>,1|O<1>}	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(CH3){1|C<3>,1|C<4>,1|O<1>}	118.3020	0.000	1	118.3020	0.000	1	117.6688	0.204	4	118.8859	1.096	515	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	N[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)(C[6a]N[6a]C)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<4>,1|N<3>,1|O<1>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|C<4>,1|O<1>}	117.4577	0.198	3	117.4577	0.039	3	117.6688	0.204	4	118.8859	1.096	515	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-4:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]GeLi)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]GeLi){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|H<1>,1|N<4>}	119.5470	0.000	1	119.5470	0.000	1	119.5470	0.000	1	118.8859	1.096	515	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:P-4:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]P)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PC[6a]2Cu)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]P){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PC[6a]2Cu){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|H<1>,1|P<4>}	117.8357	1.009	3	117.8357	1.019	3	118.0722	0.475	6	118.8859	1.096	515	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:P-4:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]P)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PC[6a]2Mo)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]P){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PC[6a]2Mo){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|H<1>,1|P<4>}	118.3087	0.048	3	118.3087	0.002	3	118.0722	0.475	6	118.8859	1.096	515	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:P-4:	C[6a]-3:N[6a]-2:P-4:	N[6a](C[6a]C[6a]P)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PC[6a]2Fe)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PC[6a]2Fe)	N[6a](C[6a]C[6a]P)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PC[6a]2Fe){1|C<3>,1|H<1>,1|P<4>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PC[6a]2Fe){1|C<3>,1|H<1>,1|P<4>}	118.4650	0.000	1	118.4650	0.000	1	117.8825	0.679	2	118.8859	1.096	515	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:P-4:	C[6a]-3:N[6a]-2:P-4:	N[6a](C[6a]C[6a]P)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PC[6a]2O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PC[6a]2O)	N[6a](C[6a]C[6a]P)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PC[6a]2O){1|C<3>,1|H<1>,1|P<4>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PC[6a]2O){1|C<3>,1|H<1>,1|P<4>}	117.3000	0.000	1	117.3000	0.000	1	117.8825	0.679	2	118.8859	1.096	515	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:S-4:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SNOO)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]S){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SNOO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|H<1>,1|S<4>}	116.8260	0.445	2	116.8260	0.198	2	116.8260	0.198	2	118.8859	1.096	515	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:Si-4:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]Si)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SiC[6a]3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]Si)(C[6a]C[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SiC[6a]3){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|Si<4>,1|C<3>,1|H<1>}	118.4173	0.126	3	118.4173	0.016	3	118.4173	0.016	3	118.8859	1.096	515	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:4:	3:2:4:	C[6a]-3:C[6a]-3:	N[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)(C[6a]N[6a]C)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(CCCH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]C){1|C<3>,2|H<1>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(CCCH){1|C<3>,1|C<4>,1|O<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<4>,1|N<3>,1|O<1>}	116.8280	0.000	1	116.8280	0.000	1	116.8280	0.000	1	118.8859	1.096	515	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:2:5:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-5:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]2ReO)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]2ReO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<5>,1|H<1>}	117.4410	0.000	1	117.4410	0.000	1	117.4410	0.000	1	117.4410	0.000	1	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	2:2:1:	C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[5,6a]C[5a])(C[6a]N[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[5a]C[5a]O[5a])(N[6a]C[6a])	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5,6a]C[5a])(C[6a]N[6a]H){1|N<3>,1|O<2>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[5a]C[5a]O[5a])(N[6a]C[6a]){1|Pt<6>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(H){1|N<3>,2|C<3>}	117.9810	0.000	1	117.9810	0.000	1	117.9810	0.000	1	116.7056	2.863	117	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	2:2:1:	C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:Cl-1:	N[6a](C[6a]C[5,6a]C[6a])(C[6a]N[6a]Cl)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(Cl)	N[6a](C[6a]C[5,6a]C[6a])(C[6a]N[6a]Cl){1|N<3>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]2)(N[6a]C[6a]){1|Cl<1>,1|Ir<6>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(Cl){1|N<3>,2|C<3>}	117.4905	0.435	2	117.4905	0.189	2	117.4905	0.189	2	116.7056	2.863	117	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	2:2:1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:Cl-1:	N[6a](C[6a]C[5a,6a]C[5a])(C[6a]N[6a]Cl)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]O[5a])(N[6a]C[6a])	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(Cl)	N[6a](C[6a]C[5a,6a]C[5a])(C[6a]N[6a]Cl){1|N<2>,1|O<2>,2|C<3>}	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>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(Cl){1|N<3>,2|C<3>}	116.9923	0.035	3	116.9923	0.001	3	116.9923	0.001	3	116.7056	2.863	117	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	2:2:1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[5a,6a]C[5a])(C[6a]N[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a]C[5a]O[5a])(N[6a]C[6a])	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]C[5a])(C[6a]N[6a]H){1|O<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a]C[5a]O[5a])(N[6a]C[6a]){1|N<3>,2|C<3>,2|N<2>,3|H<1>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|N<3>,2|C<3>}	117.5840	0.000	1	117.5840	0.000	1	118.2855	0.271	4	116.7056	2.863	117	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	2:2:1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[5a,6a]C[5a])(C[6a]N[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]O[5a])(N[6a]C[6a])	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]C[5a])(C[6a]N[6a]H){1|N<2>,1|O<2>,2|C<3>}	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>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|N<3>,2|C<3>}	118.1970	0.000	1	118.1970	0.000	1	118.2855	0.271	4	116.7056	2.863	117	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	2:2:1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[5a,6a]C[5a])(C[6a]N[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]S[5a])(N[6a]C[6a])	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]C[5a])(C[6a]N[6a]H){1|N<2>,1|S<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|N<3>,2|H<1>,3|C<3>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|N<3>,2|C<3>}	118.6805	0.039	2	118.6805	0.002	2	118.2855	0.271	4	116.7056	2.863	117	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	2:2:1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:Cl-1:	N[6a](C[6a]C[5a,6a]C[6a])(C[6a]N[6a]Cl)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(Cl)	N[6a](C[6a]C[5a,6a]C[6a])(C[6a]N[6a]Cl){1|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|Cl<1>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(Cl){1|N<3>,2|C<3>}	118.1250	0.000	1	118.1250	0.000	1	118.1250	0.000	1	116.7056	2.863	117	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	2:2:1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[5a,6a]C[6a])(C[6a]N[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]C[6a])(C[6a]N[6a]H){4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(N[6a]C[6a]){1|Cl<1>,1|N<2>,1|N<3>,3|C<3>,3|H<1>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|N<3>,2|C<3>}	118.7170	0.000	1	118.2876	0.128	10	118.7592	0.324	29	116.7056	2.863	117	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	2:2:1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[5a,6a]C[6a])(C[6a]N[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]C[6a])(C[6a]N[6a]H){4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,1|N<3>,1|S<2>,3|C<3>,3|H<1>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|N<3>,2|C<3>}	118.0460	0.000	1	118.2876	0.128	10	118.7592	0.324	29	116.7056	2.863	117	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	2:2:1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[5a,6a]C[6a])(C[6a]N[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]C[6a])(C[6a]N[6a]H){4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,1|N<3>,3|C<3>,4|H<1>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|N<3>,2|C<3>}	118.2792	0.345	6	118.2876	0.128	10	118.7592	0.324	29	116.7056	2.863	117	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	2:2:1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[5a,6a]C[6a])(C[6a]N[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]C[6a])(C[6a]N[6a]H){4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(N[6a]C[6a]){1|N<3>,2|N<2>,3|C<3>,3|H<1>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|N<3>,2|C<3>}	118.2190	0.554	2	118.2876	0.128	10	118.7592	0.324	29	116.7056	2.863	117	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	2:2:1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[5a,6a]C[6a])(C[6a]N[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]C[6a])(C[6a]N[6a]H){1|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|C<2>,1|H<1>,1|N<2>,1|N<3>,1|O<2>,3|C<3>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|N<3>,2|C<3>}	118.9297	0.110	3	119.0075	0.251	19	118.7592	0.324	29	116.7056	2.863	117	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	2:2:1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[5a,6a]C[6a])(C[6a]N[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]C[6a])(C[6a]N[6a]H){1|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|C<2>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|N<3>,2|C<3>}	118.5120	0.000	1	119.0075	0.251	19	118.7592	0.324	29	116.7056	2.863	117	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	2:2:1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[5a,6a]C[6a])(C[6a]N[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]C[6a])(C[6a]N[6a]H){1|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|C<4>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|N<3>,2|C<3>}	118.6210	0.000	1	119.0075	0.251	19	118.7592	0.324	29	116.7056	2.863	117	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	2:2:1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[5a,6a]C[6a])(C[6a]N[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]C[6a])(C[6a]N[6a]H){1|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|H<1>,1|N<2>,1|N<3>,2|C<4>,3|C<3>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|N<3>,2|C<3>}	118.1160	0.000	1	119.0075	0.251	19	118.7592	0.324	29	116.7056	2.863	117	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	2:2:1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[5a,6a]C[6a])(C[6a]N[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]C[6a])(C[6a]N[6a]H){1|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|H<1>,1|N<2>,3|C<3>,3|N<3>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|N<3>,2|C<3>}	118.5160	0.000	1	119.0075	0.251	19	118.7592	0.324	29	116.7056	2.863	117	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	2:2:1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[5a,6a]C[6a])(C[6a]N[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]C[6a])(C[6a]N[6a]H){1|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|I<1>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|N<3>,2|C<3>}	118.5710	0.000	1	119.0075	0.251	19	118.7592	0.324	29	116.7056	2.863	117	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	2:2:1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[5a,6a]C[6a])(C[6a]N[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]C[6a])(C[6a]N[6a]H){1|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>,1|O<2>,2|H<1>,3|C<3>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|N<3>,2|C<3>}	119.3480	0.000	1	119.0075	0.251	19	118.7592	0.324	29	116.7056	2.863	117	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	2:2:1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[5a,6a]C[6a])(C[6a]N[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]C[6a])(C[6a]N[6a]H){1|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>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|N<3>,2|C<3>}	119.2109	0.352	8	119.0075	0.251	19	118.7592	0.324	29	116.7056	2.863	117	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	2:2:1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[5a,6a]C[6a])(C[6a]N[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]C[6a])(C[6a]N[6a]H){1|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>,2|H<1>,2|N<3>,3|C<3>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|N<3>,2|C<3>}	120.2230	0.000	1	119.0075	0.251	19	118.7592	0.324	29	116.7056	2.863	117	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	2:2:1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[5a,6a]C[6a])(C[6a]N[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]C[6a])(C[6a]N[6a]H){1|N<3>,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>,4|C<3>,4|H<1>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){3|C<3>}	118.7590	0.000	1	119.0075	0.251	19	118.7592	0.324	29	116.7056	2.863	117	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	2:2:1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:Cl-1:	N[6a](C[6a]C[5a,6a]N[5a])(C[6a]N[6a]Cl)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a]2)(N[6a]C[6a])	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(Cl)	N[6a](C[6a]C[5a,6a]N[5a])(C[6a]N[6a]Cl){1|N<2>,3|C<3>}	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>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(Cl){1|C<3>,2|N<3>}	117.7400	0.000	1	117.1445	0.709	2	117.1445	0.709	2	116.7056	2.863	117	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	2:2:1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:Cl-1:	N[6a](C[6a]C[5a,6a]N[5a])(C[6a]N[6a]Cl)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a]2)(N[6a]C[6a])	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(Cl)	N[6a](C[6a]C[5a,6a]N[5a])(C[6a]N[6a]Cl){1|N<2>,3|C<3>}	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>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(Cl){1|C<3>,2|N<3>}	116.5490	0.000	1	117.1445	0.709	2	117.1445	0.709	2	116.7056	2.863	117	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	2:2:1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a]2)(N[6a]C[6a])	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|N<2>,3|C<3>}	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>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|C<3>,2|N<3>}	117.4890	0.130	2	117.5865	0.070	4	117.5238	0.072	5	116.7056	2.863	117	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	2:2:1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a]2)(N[6a]C[6a])	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|N<2>,3|C<3>}	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>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|C<3>,2|N<3>}	117.4060	0.000	1	117.5865	0.070	4	117.5238	0.072	5	116.7056	2.863	117	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	2:2:1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a]2)(N[6a]C[6a])	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|N<2>,3|C<3>}	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>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|C<3>,2|N<3>}	117.9620	0.000	1	117.5865	0.070	4	117.5238	0.072	5	116.7056	2.863	117	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	2:2:1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a]N[5a])(N[6a]C[6a])	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]N[5a])(C[6a]N[6a]H){2|C<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>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|C<3>,2|N<3>}	117.2730	0.000	1	117.2730	0.000	1	117.5238	0.072	5	116.7056	2.863	117	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	2:2:1:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:Br-1:	N[6a](C[6a]C[5a]C[6a])(C[6a]N[6a]Br)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a])2(Br)	N[6a](C[6a]C[5a]C[6a])(C[6a]N[6a]Br){1|H<1>,1|N<3>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|Br<1>,1|N<2>,2|H<1>,3|C<3>}	C[6a](N[6a]C[6a])2(Br){3|C<3>}	114.2574	0.388	8	114.2574	0.150	8	114.2574	0.150	8	116.7056	2.863	117	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	2:2:1:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[5a]C[6a])(C[6a]N[6a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[5a]C[6a])(C[6a]N[6a]H){1|H<1>,1|N<3>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,3|C<3>,3|H<1>}	C[6a](N[6a]C[6a])2(H){3|C<3>}	115.3145	0.230	2	115.3145	0.053	2	115.3893	0.122	8	116.7056	2.863	117	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	2:2:1:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[5a]C[6a])(C[6a]N[6a]H)	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[5a]C[6a])(C[6a]N[6a]H){1|H<1>,1|S<2>,2|C<3>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|H<1>,3|C<3>}	C[6a](N[6a]C[6a])2(H){3|C<3>}	115.4367	0.494	4	115.4367	0.244	4	115.3893	0.122	8	116.7056	2.863	117	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	2:2:1:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[5a]C[6a])(C[6a]N[6a]H)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[5a]C[6a])(C[6a]N[6a]H){1|C<3>,1|H<1>,1|N<2>,1|N<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>}	C[6a](N[6a]C[6a])2(H){1|H<1>,2|C<3>}	115.3690	0.226	2	115.3690	0.051	2	115.3893	0.122	8	116.7056	2.863	117	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	2:2:1:	C[6a]-3:C[6a]-3:	C[6]-3:N[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:O-1:	N[6a](C[6a]N[6a]C[6])(C[6a]N[6a]O)	C[6a](C[6]C[6]N[6])(N[6a]C[6a]Eu)(N[6a]C[6a])	C[6a](N[6a]C[6a])2(O)	N[6a](C[6a]N[6a]C[6])(C[6a]N[6a]O){1|Eu<11>,1|N<3>,2|C<3>}	C[6a](C[6]C[6]N[6])(N[6a]C[6a]Eu)(N[6a]C[6a]){1|H<1>,1|N<2>,1|O<1>,3|C<3>}	C[6a](N[6a]C[6a])2(O){1|N<3>,2|C<3>}	116.9750	0.000	1	116.9750	0.000	1	116.9750	0.000	1	116.7056	2.863	117	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	2:2:1:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[6a,6a]C[5a])(C[6a]N[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]C[5a])(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]C[5a])(C[6a]N[6a]H){4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]C[5a])(N[6a]C[6a]){1|N<3>,1|O<2>,2|H<1>,2|N<2>,3|C<3>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(H){3|C<3>}	117.1290	0.000	1	117.1290	0.000	1	117.1290	0.000	1	116.7056	2.863	117	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	2:2:1:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:Cl-1:	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]Cl)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]Cl){4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]){2|Cl<1>,1|N<2>,2|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(Cl){3|C<3>}	116.5160	0.000	1	116.5160	0.000	1	116.5160	0.000	1	116.7056	2.863	117	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	2:2:1:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]H)	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]H){4|C<3>}	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,3|H<1>,5|C<3>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(H){3|C<3>}	116.6970	0.000	1	116.6970	0.000	1	116.9145	0.095	2	116.7056	2.863	117	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	2:2:1:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]N[6a])(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]H){1|N<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]N[6a])(N[6a]C[6a]){1|N<2>,2|H<1>,5|C<3>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(H){3|C<3>}	117.1320	0.000	1	117.1320	0.000	1	116.9145	0.095	2	116.7056	2.863	117	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	2:2:1:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[5a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[6a,6a]N[5a])(C[6a]N[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C[5a])(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]N[5a])(C[6a]N[6a]H){4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C[5a])(N[6a]C[6a]){1|N<2>,2|H<1>,6|C<3>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(H){1|N<3>,2|C<3>}	115.8780	0.000	1	115.8780	0.000	1	115.8780	0.000	1	116.7056	2.863	117	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	2:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:Cl-1:	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a])2(Cl)	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]2){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,1|N<2>,2|H<1>,3|C<3>}	C[6a](N[6a]C[6a])2(Cl){3|C<3>}	115.7130	0.000	1	115.7130	0.000	1	115.7130	0.000	1	116.7056	2.863	117	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	2:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[6a]2)(C[6a]N[6a]H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]H){4|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,1|O<2>,3|C<3>,4|H<1>}	C[6a](N[6a]C[6a])2(H){1|H<1>,2|C<3>}	117.5990	0.000	1	117.5990	0.000	1	116.2895	0.886	29	116.7056	2.863	117	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	2:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[6a]2)(C[6a]N[6a]H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]H){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,2|N<2>,3|H<1>}	C[6a](N[6a]C[6a])2(H){1|H<1>,2|C<3>}	115.7780	0.000	1	115.7780	0.000	1	116.2895	0.886	29	116.7056	2.863	117	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	2:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[6a]2)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]H){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,1|O<2>,2|C<3>,3|H<1>}	C[6a](N[6a]C[6a])2(H){1|O<2>,2|C<3>}	115.9242	0.394	17	116.0614	0.290	23	116.2895	0.886	29	116.7056	2.863	117	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	2:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[6a]2)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]H){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,1|O<2>,2|H<1>,3|C<3>}	C[6a](N[6a]C[6a])2(H){3|C<3>}	116.9527	0.366	3	116.0614	0.290	23	116.2895	0.886	29	116.7056	2.863	117	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	2:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[6a]2)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]H){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,3|C<3>,3|H<1>}	C[6a](N[6a]C[6a])2(H){3|C<3>}	116.2210	0.000	1	116.0614	0.290	23	116.2895	0.886	29	116.7056	2.863	117	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	2:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[6a]2)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]H){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|C<3>,2|H<1>,2|N<2>}	C[6a](N[6a]C[6a])2(H){3|C<3>}	115.8115	0.880	2	116.0614	0.290	23	116.2895	0.886	29	116.7056	2.863	117	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	2:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[6a]2)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]H){1|Br<1>,3|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,2|C<3>,4|H<1>}	C[6a](N[6a]C[6a])2(H){1|H<1>,2|C<3>}	118.9195	0.473	2	118.9195	0.224	2	116.2895	0.886	29	116.7056	2.863	117	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	2:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[6a]2)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]H){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|H<1>,3|C<3>}	C[6a](N[6a]C[6a])2(H){3|C<3>}	115.2260	0.000	1	115.2260	0.000	1	116.2895	0.886	29	116.7056	2.863	117	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	2:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[6a]2)(C[6a]N[6a]H)	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]Br)(N[6a]C[6a])	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]H){1|Br<1>,1|N<3>,2|C<3>}	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]Br)(N[6a]C[6a]){2|C<3>,2|N<2>,3|H<1>}	C[6a](N[6a]C[6a])2(H){1|H<1>,2|C<3>}	116.5410	0.000	1	116.5410	0.000	1	116.2895	0.886	29	116.7056	2.863	117	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	2:2:1:	C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[6a]N[5])(C[6a]N[6a]H)	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]C)(N[6a]C[6a])	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]N[5])(C[6a]N[6a]H){2|C<3>,2|C<4>}	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]C)(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[6a](N[6a]C[6a])2(H){1|C<3>,2|N<3>}	115.0680	0.000	1	115.8730	1.296	2	115.8730	1.296	2	116.7056	2.863	117	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	2:2:1:	C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[6a]N[5])(C[6a]N[6a]H)	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]C)(N[6a]C[6a])	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]N[5])(C[6a]N[6a]H){2|C<3>,2|C<4>}	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]C)(N[6a]C[6a]){1|Cl<1>,1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[6a](N[6a]C[6a])2(H){1|Cl<1>,1|C<3>,1|N<3>}	116.6780	0.000	1	115.8730	1.296	2	115.8730	1.296	2	116.7056	2.863	117	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	2:2:1:	C[6a]-3:C[6a]-3:	N[5]-3:N[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:O-1:	N[6a](C[6a]N[6a]N[5])(C[6a]N[6a]O)	C[6a](N[5]C[5]N[5])(N[6a]C[6a]V)(N[6a]C[6a])	C[6a](N[6a]C[6a])2(O)	N[6a](C[6a]N[6a]N[5])(C[6a]N[6a]O){1|N<3>,1|V<5>,2|C<3>}	C[6a](N[5]C[5]N[5])(N[6a]C[6a]V)(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|C<3>}	C[6a](N[6a]C[6a])2(O){3|N<3>}	115.3735	0.054	2	115.3735	0.003	2	115.3735	0.003	2	116.7056	2.863	117	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	2:2:1:	C[6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:Cl-1:	N[6a](C[6a]C[6a]N[5a])(C[6a]N[6a]Cl)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a])2(Cl)	N[6a](C[6a]C[6a]N[5a])(C[6a]N[6a]Cl){1|H<1>,1|N<2>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	C[6a](N[6a]C[6a])2(Cl){1|C<3>,1|H<1>,1|N<3>}	114.7170	0.000	1	114.7170	0.000	1	114.7170	0.000	1	116.7056	2.863	117	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	2:2:1:	C[6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[6a]N[5a])(C[6a]N[6a]H)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]N[5a])(C[6a]N[6a]H){1|H<1>,1|N<2>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](N[6a]C[6a])2(H){1|C<3>,2|N<3>}	114.8710	0.000	1	114.1060	0.437	10	114.1060	0.437	10	116.7056	2.863	117	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	2:2:1:	C[6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[6a]N[5a])(C[6a]N[6a]H)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]N[5a])(C[6a]N[6a]H){1|H<1>,1|N<2>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6a](N[6a]C[6a])2(H){1|C<3>,2|N<3>}	113.4790	0.000	1	114.1060	0.437	10	114.1060	0.437	10	116.7056	2.863	117	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	2:2:1:	C[6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[6a]N[5a])(C[6a]N[6a]H)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]N[5a])(C[6a]N[6a]H){1|H<1>,1|N<2>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<2>,1|O<2>,3|C<3>}	C[6a](N[6a]C[6a])2(H){1|C<3>,1|N<3>,1|O<2>}	114.8000	0.000	1	114.1060	0.437	10	114.1060	0.437	10	116.7056	2.863	117	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	2:2:1:	C[6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[6a]N[5a])(C[6a]N[6a]H)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]N[5a])(C[6a]N[6a]H){1|H<1>,1|N<2>,2|C<3>}	C[6a](N[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>}	C[6a](N[6a]C[6a])2(H){1|C<3>,2|N<3>}	113.9375	0.673	6	114.1060	0.437	10	114.1060	0.437	10	116.7056	2.863	117	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	2:2:1:	C[6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[6a]N[5a])(C[6a]N[6a]H)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]N[5a])(C[6a]N[6a]H){1|H<1>,1|N<2>,2|C<3>}	C[6a](N[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>}	C[6a](N[6a]C[6a])2(H){1|C<3>,1|N<3>,1|O<2>}	114.2850	0.000	1	114.1060	0.437	10	114.1060	0.437	10	116.7056	2.863	117	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	2:2:1:	C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]H)	C[6a](N[6]C[6,6]C[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]H){1|C<4>,1|H<1>,2|C<3>}	C[6a](N[6]C[6,6]C[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|N<2>,2|N<3>,3|H<1>}	C[6a](N[6a]C[6a])2(H){1|C<3>,2|N<3>}	115.4330	0.000	1	115.4330	0.000	1	116.5160	1.204	3	116.7056	2.863	117	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	2:2:1:	C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]H)	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]C)(N[6a]C[6a])	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]H){2|C<3>,2|C<4>}	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]C)(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[6a](N[6a]C[6a])2(H){1|C<3>,2|N<3>}	116.4880	0.000	1	117.0575	0.649	2	116.5160	1.204	3	116.7056	2.863	117	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	2:2:1:	C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]H)	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]C)(N[6a]C[6a])	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]H){2|C<3>,2|C<4>}	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]C)(N[6a]C[6a]){1|Cl<1>,1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[6a](N[6a]C[6a])2(H){1|Cl<1>,1|C<3>,1|N<3>}	117.6270	0.000	1	117.0575	0.649	2	116.5160	1.204	3	116.7056	2.863	117	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	2:2:2:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:S-2:	N[6a](C[6a]C[5a]C[6a])(C[6a]N[6a]S)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a])2(SC)	N[6a](C[6a]C[5a]C[6a])(C[6a]N[6a]S){1|H<1>,3|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|S<2>,2|H<1>,2|N<2>,2|N<3>}	C[6a](N[6a]C[6a])2(SC){1|H<1>,2|C<3>}	116.8468	0.363	4	116.8468	0.132	4	116.8468	0.132	4	116.2116	1.346	41	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	2:2:2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:S-2:	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]S)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(SC)	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]S){1|N<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,1|S<2>,2|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(SC){3|C<3>}	118.2900	0.000	1	118.2900	0.000	1	118.2900	0.000	1	116.2116	1.346	41	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	2:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:O-2:	N[6a](C[6a]C[6a]2)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a])2(OC)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]O){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,1|O<2>,2|H<1>,3|C<3>}	C[6a](N[6a]C[6a])2(OC){3|C<3>}	115.4725	0.196	2	115.4725	0.038	2	115.9570	0.447	5	116.2116	1.346	41	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	2:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:O-2:	N[6a](C[6a]C[6a]2)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a])2(OC[6a])	N[6a](C[6a]C[6a]2)(C[6a]N[6a]O){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|O<2>,2|N<2>,3|H<1>}	C[6a](N[6a]C[6a])2(OC[6a]){1|H<1>,2|C<3>}	115.9195	0.433	2	115.9195	0.188	2	115.9570	0.447	5	116.2116	1.346	41	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	2:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:O-2:	N[6a](C[6a]C[6a]2)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]O)(N[6a]C[6a])	C[6a](N[6a]C[6a])(N[6a]N[6a])(OH)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]O){1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]O)(N[6a]C[6a]){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a])(N[6a]N[6a])(OH){1|C<4>,2|C<3>}	117.0010	0.000	1	117.0010	0.000	1	115.9570	0.447	5	116.2116	1.346	41	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	2:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:S-2:	N[6a](C[6a]C[6a]2)(C[6a]N[6a]S)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a])2(SC)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]S){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|S<2>,2|N<2>,3|H<1>}	C[6a](N[6a]C[6a])2(SC){1|H<1>,2|C<3>}	115.9010	1.258	4	116.0027	0.633	10	115.7946	0.388	23	116.2116	1.346	41	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	2:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:S-2:	N[6a](C[6a]C[6a]2)(C[6a]N[6a]S)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a])2(SC)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]S){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,1|S<2>,2|C<3>,3|H<1>}	C[6a](N[6a]C[6a])2(SC){1|H<1>,2|C<3>}	116.0705	0.420	6	116.0027	0.633	10	115.7946	0.388	23	116.2116	1.346	41	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	2:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:S-2:	N[6a](C[6a]C[6a]2)(C[6a]N[6a]S)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a])2(SS)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]S){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|S<2>,2|N<2>,3|H<1>}	C[6a](N[6a]C[6a])2(SS){1|H<1>,2|C<3>}	116.1120	0.000	1	115.5581	0.182	7	115.7946	0.388	23	116.2116	1.346	41	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	2:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:S-2:	N[6a](C[6a]C[6a]2)(C[6a]N[6a]S)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a])2(SS)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]S){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,1|S<2>,2|C<3>,3|H<1>}	C[6a](N[6a]C[6a])2(SS){1|H<1>,2|C<3>}	115.7830	0.119	2	115.5581	0.182	7	115.7946	0.388	23	116.2116	1.346	41	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	2:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:S-2:	N[6a](C[6a]C[6a]2)(C[6a]N[6a]S)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a])2(SS)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]S){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,1|S<2>,2|H<1>,3|C<3>}	C[6a](N[6a]C[6a])2(SS){3|C<3>}	115.3072	0.374	4	115.5581	0.182	7	115.7946	0.388	23	116.2116	1.346	41	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	2:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:S-2:	N[6a](C[6a]C[6a]2)(C[6a]N[6a]S)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a])(N[6a]N[6a])(SC)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]S){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(N[6a]C[6a]){1|N<2>,1|S<2>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a])(N[6a]N[6a])(SC){2|C<3>}	115.6325	0.029	2	115.6325	0.001	2	115.7946	0.388	23	116.2116	1.346	41	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	2:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:S-2:	N[6a](C[6a]C[6a]2)(C[6a]N[6a]S)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[6a])(N[6a]N[6a])(SS)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]S){1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,1|S<2>,2|H<1>,4|C<3>}	C[6a](N[6a]C[6a])(N[6a]N[6a])(SS){2|C<3>}	115.6990	0.195	2	115.6990	0.038	2	115.7946	0.388	23	116.2116	1.346	41	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	2:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:S-2:	N[6a](C[6a]C[6a]2)(C[6a]N[6a]S)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a])2(SC)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]S){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,1|S<2>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a])2(SC){1|H<1>,2|C<3>}	115.8395	0.899	2	115.8395	0.808	2	115.7946	0.388	23	116.2116	1.346	41	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	2:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[5a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:S-2:	N[6a](C[6a]C[6a]N[5a])(C[6a]N[6a]S)	C[6a](C[6a]C[6a]H)(N[5a]N[5a]2)(N[6a]C[6a])	C[6a](N[6a]C[6a])2(SC)	N[6a](C[6a]C[6a]N[5a])(C[6a]N[6a]S){1|C<3>,1|H<1>,2|N<2>}	C[6a](C[6a]C[6a]H)(N[5a]N[5a]2)(N[6a]C[6a]){1|C<3>,1|H<1>,1|S<2>,2|N<2>}	C[6a](N[6a]C[6a])2(SC){1|C<3>,1|H<1>,1|N<3>}	114.5695	0.145	2	114.5695	0.021	2	114.5695	0.021	2	116.2116	1.346	41	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	2:2:2:	C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:S-2:	N[6a](C[6a]N[5a,6a]C[6a])(C[6a]N[6a]S)	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(SC)	N[6a](C[6a]N[5a,6a]C[6a])(C[6a]N[6a]S){1|N<2>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,1|S<2>,2|H<1>,4|C<3>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(SC){1|N<3>,2|C<3>}	118.8017	0.254	4	118.8017	0.065	4	118.8017	0.065	4	116.2116	1.346	41	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	2:2:2:	C[6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:S-2:	N[6a](C[6a]C[6a]N[5a])(C[6a]N[6a]S)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a])2(SC)	N[6a](C[6a]C[6a]N[5a])(C[6a]N[6a]S){1|H<1>,1|N<2>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C[6a](N[6a]C[6a])2(SC){1|C<3>,1|H<1>,1|N<3>}	115.5970	0.000	1	115.7965	0.080	2	115.7965	0.080	2	116.2116	1.346	41	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	2:2:2:	C[6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:S-2:	N[6a](C[6a]C[6a]N[5a])(C[6a]N[6a]S)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a])2(SC)	N[6a](C[6a]C[6a]N[5a])(C[6a]N[6a]S){1|H<1>,1|N<2>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,1|S<2>,2|C<3>}	C[6a](N[6a]C[6a])2(SC){1|C<3>,1|H<1>,1|N<3>}	115.9960	0.000	1	115.7965	0.080	2	115.7965	0.080	2	116.2116	1.346	41	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	2:2:3:	C[6a]-3:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[5,6,6a]C[6a])(C[6a]N[6a]N)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[5,6,6a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[5,6,6a]C[6a])(C[6a]N[6a]N){1|C<4>,3|C<3>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,1|N<3>,2|C<3>,3|C<4>,3|H<1>}	C[6a](N[6a]C[5,6,6a])(N[6a]C[6a])(NHH){1|C<4>,2|C<3>}	117.5590	0.000	1	117.5590	0.000	1	117.5590	0.000	1	116.6404	0.851	71	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	2:2:3:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[5a,6a]C[5a])(C[6a]N[6a]N)	C[6a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]O[5a])(N[6a]C[6a])	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NC[6a]H)	N[6a](C[6a]C[5a,6a]C[5a])(C[6a]N[6a]N){1|O<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]O[5a])(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,1|O<2>,4|C<3>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NC[6a]H){1|O<2>,2|C<3>}	118.4750	0.000	1	118.4750	0.000	1	118.4750	0.000	1	116.6404	0.851	71	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	2:2:3:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[5a]C[6a])(C[6a]N[6a]N)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[5a]C[6a])(C[6a]N[6a]N){1|H<1>,3|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<2>,1|O<2>,2|C<3>,2|N<3>}	C[6a](N[6a]C[6a])2(NHH){1|O<2>,2|C<3>}	116.0410	0.000	1	116.0410	0.000	1	116.6278	0.610	6	116.6404	0.851	71	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	2:2:3:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[5a]C[6a])(C[6a]N[6a]N)	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[5a]C[6a])(C[6a]N[6a]N){1|H<1>,1|O<2>,2|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6a](N[6a]C[6a])2(NHH){3|C<3>}	115.3600	0.000	1	115.3600	0.000	1	116.6278	0.610	6	116.6404	0.851	71	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	2:2:3:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[5a]C[6a])(C[6a]N[6a]N)	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a])2(NC[6a]H)	N[6a](C[6a]C[5a]C[6a])(C[6a]N[6a]N){1|H<1>,1|S<2>,2|C<3>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|N<2>}	C[6a](N[6a]C[6a])2(NC[6a]H){1|H<1>,2|C<3>}	117.0915	0.283	4	117.0915	0.080	4	116.6278	0.610	6	116.6404	0.851	71	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	2:2:3:	C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6,6a]C[6a])(C[6a]N[6a]N)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[6,6a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6,6a]C[6a])(C[6a]N[6a]N){1|C<4>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,3|C<3>,4|H<1>}	C[6a](N[6a]C[6,6a])(N[6a]C[6a])(NHH){3|C<3>}	116.2100	0.000	1	116.0450	0.054	2	116.0450	0.054	2	116.6404	0.851	71	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	2:2:3:	C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6,6a]C[6a])(C[6a]N[6a]N)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[6,6a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6,6a]C[6a])(C[6a]N[6a]N){1|C<4>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6a](N[6a]C[6,6a])(N[6a]C[6a])(NHH){1|C<4>,2|C<3>}	115.8800	0.000	1	116.0450	0.054	2	116.0450	0.054	2	116.6404	0.851	71	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	2:2:3:	C[6a]-3:C[6a]-3:	C[6]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]C[6])(C[6a]N[6a]N)	C[6a](C[6]C[5a,6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]C[6])(C[6a]N[6a]N){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6]C[5a,6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,1|H<1>,1|N<2>,2|N<3>}	C[6a](N[6a]C[6a])2(NHH){1|H<1>,2|C<3>}	116.5090	0.000	1	116.5090	0.000	1	116.5090	0.000	1	116.6404	0.851	71	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]N)	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]N){4|C<3>}	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,1|N<3>,2|H<1>,5|C<3>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(NCH){3|C<3>}	117.6570	0.000	1	117.6570	0.000	1	117.6570	0.000	1	116.6404	0.851	71	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:C[5]-3:	N[6a](C[6a]N[6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a])2(C[5]N[5]2)	N[6a](C[6a]N[6a]C[5])(C[6a]C[6a]2){1|H<1>,1|N<2>,2|C<3>,2|N<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<2>,4|C<3>}	C[6a](N[6a]C[6a])2(C[5]N[5]2){2|C<4>,2|O<1>,3|C<3>}	115.3905	0.060	2	115.3905	0.004	2	115.3905	0.004	2	116.6404	0.851	71	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	C[6a](N[6a]C[6a])2(NCH)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N){1|C<2>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6a](N[6a]C[6a])2(NCH){3|C<3>}	117.2708	0.783	4	117.2708	0.613	4	116.7644	0.641	47	116.6404	0.851	71	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	C[6a](N[6a]C[6a])2(NCS)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N){1|C<4>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a])2(NCS){1|C<4>,2|C<3>}	116.3970	0.663	3	116.4020	0.293	4	116.7644	0.641	47	116.6404	0.851	71	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	C[6a](N[6a]C[6a])2(NCS)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N){4|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a])2(NCS){1|C<4>,2|C<3>}	116.4170	0.000	1	116.4020	0.293	4	116.7644	0.641	47	116.6404	0.851	71	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N){1|C<4>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){1|N<2>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a])2(NHH){1|H<1>,2|C<3>}	119.5410	0.000	1	118.1065	4.116	2	116.7644	0.641	47	116.6404	0.851	71	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N){4|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a])2(NHH){1|C<4>,2|C<3>}	116.6720	0.000	1	118.1065	4.116	2	116.7644	0.641	47	116.6404	0.851	71	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]F)(N[6a]C[6a])	C[6a](N[6a]C[6a])2(NC[6a]H)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N){1|F<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]F)(N[6a]C[6a]){1|C<3>,1|N<3>,2|N<2>,3|H<1>}	C[6a](N[6a]C[6a])2(NC[6a]H){1|H<1>,2|C<3>}	118.5460	0.000	1	118.5460	0.000	1	116.7644	0.641	47	116.6404	0.851	71	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]F)(N[6a]C[6a])	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N){1|F<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]F)(N[6a]C[6a]){1|C<3>,1|N<3>,2|N<2>,3|H<1>}	C[6a](N[6a]C[6a])2(NHH){1|H<1>,2|C<3>}	117.9830	0.000	1	118.0235	0.003	2	116.7644	0.641	47	116.6404	0.851	71	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]F)(N[6a]C[6a])	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N){1|F<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]F)(N[6a]C[6a]){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[6a](N[6a]C[6a])2(NHH){1|H<1>,2|C<3>}	118.0640	0.000	1	118.0235	0.003	2	116.7644	0.641	47	116.6404	0.851	71	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a])2(NCH)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a])2(NCH){1|C<4>,2|C<3>}	116.7255	0.332	2	116.4760	0.532	4	116.7644	0.641	47	116.6404	0.851	71	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a])2(NCH)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6a](N[6a]C[6a])2(NCH){3|C<3>}	116.2265	1.112	2	116.4760	0.532	4	116.7644	0.641	47	116.6404	0.851	71	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a])2(NC[6a]H)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|N<3>,2|N<2>,3|H<1>}	C[6a](N[6a]C[6a])2(NC[6a]H){1|H<1>,2|C<3>}	117.0110	0.252	3	117.0110	0.064	3	116.7644	0.641	47	116.6404	0.851	71	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<3>,2|H<1>,2|N<2>}	C[6a](N[6a]C[6a])2(NHH){1|C<4>,2|C<3>}	116.6212	0.206	6	116.4853	0.289	25	116.7644	0.641	47	116.6404	0.851	71	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|N<3>,2|N<2>,3|H<1>}	C[6a](N[6a]C[6a])2(NHH){1|H<1>,2|C<3>}	117.3190	0.710	2	116.4853	0.289	25	116.7644	0.641	47	116.6404	0.851	71	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a])2(NHH){1|C<4>,2|C<3>}	116.2152	0.256	4	116.4853	0.289	25	116.7644	0.641	47	116.6404	0.851	71	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,1|O<2>,3|C<3>}	C[6a](N[6a]C[6a])2(NHH){3|C<3>}	117.5730	0.000	1	116.4853	0.289	25	116.7644	0.641	47	116.6404	0.851	71	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,1|N<3>,1|S<2>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a])2(NHH){1|S<2>,2|C<3>}	116.4060	0.000	1	116.4853	0.289	25	116.7644	0.641	47	116.6404	0.851	71	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[6a](N[6a]C[6a])2(NHH){1|H<1>,2|C<3>}	116.5310	0.307	2	116.4853	0.289	25	116.7644	0.641	47	116.6404	0.851	71	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6a](N[6a]C[6a])2(NHH){3|C<3>}	116.2073	0.530	9	116.4853	0.289	25	116.7644	0.641	47	116.6404	0.851	71	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[6a])(N[6a]N[6a])(NC[6a]H)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N){1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,1|N<3>,2|H<1>,4|C<3>}	C[6a](N[6a]C[6a])(N[6a]N[6a])(NC[6a]H){2|C<3>}	116.7850	0.000	1	116.7850	0.000	1	116.7644	0.641	47	116.6404	0.851	71	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a])2(NHH){1|H<1>,2|C<3>}	116.5740	0.000	1	116.5740	0.000	1	116.7644	0.641	47	116.6404	0.851	71	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:O[6a]-2:C-3:	N[6a](C[6a]C[6a]2)(C[6a]O[6a]C)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	C[6a](N[6a]C[6a])(O[6a]C[6a])(CCC)	N[6a](C[6a]C[6a]2)(C[6a]O[6a]C){1|C<4>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](N[6a]C[6a])(O[6a]C[6a])(CCC){1|O<1>,2|C<3>}	119.1390	0.000	1	119.1390	0.000	1	119.1390	0.000	1	116.6404	0.851	71	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	2:2:3:	C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]N[5])(C[6a]N[6a]N)	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]C)(N[6a]C[6a])	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]N[5])(C[6a]N[6a]N){1|C<4>,3|C<3>}	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]C)(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a])2(NHH){1|C<3>,1|N<3>,1|O<2>}	116.4920	0.103	2	116.4920	0.011	2	116.4920	0.011	2	116.6404	0.851	71	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	2:2:3:	C[6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]N[5a])(C[6a]N[6a]N)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]N)(N[6a]C[6a])	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]N[5a])(C[6a]N[6a]N){1|N<3>,3|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]N)(N[6a]C[6a]){1|N<3>,1|O<2>,2|N<2>,3|C<3>}	C[6a](N[6a]C[6a])2(NHH){1|C<3>,1|N<3>,1|O<2>}	115.7004	0.567	5	115.7004	0.322	5	115.5117	0.322	7	116.6404	0.851	71	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	2:2:3:	C[6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]N[5a])(C[6a]N[6a]N)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]N[5a])(C[6a]N[6a]N){1|H<1>,1|N<2>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<2>,2|C<3>,2|N<3>}	C[6a](N[6a]C[6a])2(NHH){1|C<3>,2|N<3>}	115.0400	0.153	2	115.0400	0.023	2	115.5117	0.322	7	116.6404	0.851	71	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	2:2:4:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:C-4:	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(CC[5]CC)	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]C){4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<2>,1|P<3>,5|C<3>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(CC[5]CC){3|C<3>}	117.2280	0.034	2	117.2280	0.001	2	117.2280	0.001	2	116.9283	0.570	11	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	2:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5a,6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:C-4:	N[6a](C[6a]C[5a,6a]C[6a])(C[6a]N[6a]C)	C[6a](C[6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(N[6a]C[6a])	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(CH3)	N[6a](C[6a]C[5a,6a]C[6a])(C[6a]N[6a]C){4|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<2>,1|N<3>,5|C<3>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(CH3){1|N<3>,2|C<3>}	118.6470	0.000	1	118.6470	0.000	1	118.6470	0.000	1	116.9283	0.570	11	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	2:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:C-4:	N[6a](C[6a]C[6a]2)(C[6a]N[6a]C)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a])2(CC[6a]HH)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]C){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<2>,1|O<1>,1|O<2>,2|C<3>}	C[6a](N[6a]C[6a])2(CC[6a]HH){3|C<3>}	116.6480	0.000	1	116.6425	0.000	2	116.6353	0.316	7	116.9283	0.570	11	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	2:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:C-4:	N[6a](C[6a]C[6a]2)(C[6a]N[6a]C)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a])2(CC[6a]HH)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]C){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6a](N[6a]C[6a])2(CC[6a]HH){3|C<3>}	116.6370	0.000	1	116.6425	0.000	2	116.6353	0.316	7	116.9283	0.570	11	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	2:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:C-4:	N[6a](C[6a]C[6a]2)(C[6a]N[6a]C)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a])2(CH3)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]C){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<3>,2|C<3>,2|N<2>}	C[6a](N[6a]C[6a])2(CH3){3|C<3>}	115.8020	0.000	1	116.8270	0.806	3	116.6353	0.316	7	116.9283	0.570	11	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	2:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:C-4:	N[6a](C[6a]C[6a]2)(C[6a]N[6a]C)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a])2(CH3)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]C){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6a](N[6a]C[6a])2(CH3){3|C<3>}	117.4720	0.000	1	116.8270	0.806	3	116.6353	0.316	7	116.9283	0.570	11	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	2:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:C-4:	N[6a](C[6a]C[6a]2)(C[6a]N[6a]C)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a])2(CH3)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]C){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](N[6a]C[6a])2(CH3){1|C<4>,2|C<3>}	117.2070	0.000	1	116.8270	0.806	3	116.6353	0.316	7	116.9283	0.570	11	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	2:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:C-4:	N[6a](C[6a]C[6a]2)(C[6a]N[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a])2(CHHN)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]C){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a])2(CHHN){1|H<1>,2|C<3>}	116.3405	0.011	2	116.3405	0.000	2	116.6353	0.316	7	116.9283	0.570	11	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	2:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:S-4:	N[6a](C[6a]C[6a]2)(C[6a]N[6a]S)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a])2(SO3)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]S){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|S<4>,2|N<2>,3|H<1>}	C[6a](N[6a]C[6a])2(SO3){1|H<1>,2|C<3>}	116.6610	0.000	1	116.6610	0.000	1	116.6610	0.000	1	116.9283	0.570	11	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	2:3:2:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a]){1|N<2>,5|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>}	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	120.2260	0.000	1	120.2260	0.000	1	120.2260	0.000	1	117.8303	0.802	22	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	2:3:2:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,6a]C[5a])(N[6a]C[6a])	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a]){1|N<2>,5|C<3>}	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>}	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(N[6a]C[6a]){2|H<1>,2|N<3>,3|C<3>}	119.3665	0.060	2	119.3665	0.004	2	119.3665	0.004	2	117.8303	0.802	22	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	2:3:2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a]){6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,3|H<1>,5|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|H<1>,1|N<3>,5|C<3>}	117.6090	0.000	1	117.5425	0.267	19	117.5425	0.267	19	117.8303	0.802	22	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	2:3:2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a]){6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,3|H<1>,5|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|H<1>,1|O<2>,5|C<3>}	117.2190	0.133	2	117.5425	0.267	19	117.5425	0.267	19	117.8303	0.802	22	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	2:3:2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a]){6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,3|H<1>,5|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]){2|C<4>,5|C<3>}	118.0310	0.000	1	117.5425	0.267	19	117.5425	0.267	19	117.8303	0.802	22	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	2:3:2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a]){6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,3|H<1>,5|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]){2|F<1>,5|C<3>}	116.9900	0.000	1	117.5425	0.267	19	117.5425	0.267	19	117.8303	0.802	22	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	2:3:2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a]){6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,3|H<1>,5|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]){2|H<1>,5|C<3>}	117.5886	0.555	14	117.5425	0.267	19	117.5425	0.267	19	117.8303	0.802	22	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](CC[5,5]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](CC[5,5]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	117.7020	0.000	1	117.7020	0.000	1	117.1300	0.654	2	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](CC[5x3,5x5,20x6]O)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](CC[5x3,5x5,20x6]O)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	116.5580	0.000	1	116.5580	0.000	1	117.1300	0.654	2	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[5,6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6]P[5,5,6]C[5,6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H){1|P<4>,2|C<3>,2|H<1>}	C[6a](C[5,6]P[5,5,6]C[5,6])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|S<1>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	117.3000	0.000	1	117.3000	0.000	1	117.3000	0.000	1	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]N[6a])(N[6a]C[6a])	C[6a](C[6a]C[5,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|H<1>,2|C<3>,2|N<2>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]N[6a])(N[6a]C[6a]){2|H<1>,5|C<3>}	C[6a](C[6a]C[5,6a]H)(N[6a]C[6a])(H){3|C<3>}	119.1615	0.183	2	119.1615	0.034	2	119.1615	0.034	2	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:Br-1:	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br){2|H<1>,3|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|Br<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br){1|H<1>,2|C<3>}	116.4070	0.000	1	116.4070	0.000	1	116.6415	0.110	2	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:Br-1:	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|Br<1>,1|Pt<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br){1|H<1>,2|C<3>}	116.8760	0.000	1	116.8760	0.000	1	116.6415	0.110	2	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:Cl-1:	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Cl)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>,1|O<2>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Cl)(N[6a]C[6a]){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl){1|H<1>,2|C<3>}	117.8900	0.202	2	117.8900	0.041	2	117.8900	0.041	2	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5]C[5,5,6,6]N[5])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6a](C[5]C[5,5,6,6]N[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	117.6030	0.000	1	117.1045	0.497	2	116.9698	0.392	69	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5]C[5,5,6,6]N[5])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6a](C[5]C[5,5,6,6]N[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	116.6060	0.000	1	117.1045	0.497	2	116.9698	0.392	69	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	116.9700	0.000	1	116.9700	0.000	1	116.9698	0.392	69	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5]C[5,6]O[5])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5]C[5,6]O[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,1|P<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	117.0395	1.251	2	117.0395	1.565	2	116.9698	0.392	69	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5]C[5,6]P[5])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|P<3>,2|C<3>,2|H<1>}	C[6a](C[5]C[5,6]P[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	118.1595	0.648	4	117.8133	0.469	7	116.9698	0.392	69	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5]C[5,6]P[5])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|P<4>,2|C<3>,2|H<1>}	C[6a](C[5]C[5,6]P[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|Cu<4>,1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	116.9160	0.000	1	117.8133	0.469	7	116.9698	0.392	69	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5]C[5,6]P[5])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|P<4>,2|C<3>,2|H<1>}	C[6a](C[5]C[5,6]P[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|Pd<4>,2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	117.2950	0.000	1	117.8133	0.469	7	116.9698	0.392	69	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5]C[5,6]P[5])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|P<4>,2|C<3>,2|H<1>}	C[6a](C[5]C[5,6]P[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|Pd<4>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	117.8440	0.000	1	117.8133	0.469	7	116.9698	0.392	69	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5]C[5,6a]N[5])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5]C[5,6a]N[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,1|S<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	116.6390	0.000	1	116.6390	0.000	1	116.9698	0.392	69	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	116.8528	0.233	5	117.0083	0.312	15	116.9698	0.392	69	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	116.0960	0.000	1	117.0083	0.312	15	116.9698	0.392	69	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|Se<2>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	117.6415	0.175	2	117.0083	0.312	15	116.9698	0.392	69	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	116.8610	0.000	1	117.0083	0.312	15	116.9698	0.392	69	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|Fe<6>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	117.7975	0.261	2	117.0083	0.312	15	116.9698	0.392	69	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	116.3640	0.000	1	117.0083	0.312	15	116.9698	0.392	69	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	116.6945	0.589	2	117.0083	0.312	15	116.9698	0.392	69	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|Re<6>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	117.2720	0.000	1	117.0083	0.312	15	116.9698	0.392	69	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5]N[5,6]N[5])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,2|H<1>,2|N<3>}	C[6a](C[5]N[5,6]N[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|Cu<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	117.5965	0.066	2	117.5965	0.004	2	116.9698	0.392	69	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5]N[5,6a]N[5])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,2|H<1>,2|N<3>}	C[6a](C[5]N[5,6a]N[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	116.9476	0.378	14	116.9476	0.143	14	116.9698	0.392	69	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	116.2522	0.733	6	116.2522	0.537	6	116.9698	0.392	69	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5]N[5]P[5])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|P<2>,2|H<1>}	C[6a](C[5]N[5]P[5])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	117.4400	0.392	2	117.4400	0.153	2	116.9698	0.392	69	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	116.6543	0.357	14	116.6543	0.128	14	116.9698	0.392	69	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5]Se[5]C[5])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|Se<2>,2|C<3>,2|H<1>}	C[6a](C[5]Se[5]C[5])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	116.7760	0.000	1	116.7760	0.000	1	116.9698	0.392	69	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5]Se[5]N[5])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|Se<2>,1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5]Se[5]N[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	117.2075	0.057	2	117.2075	0.003	2	116.9698	0.392	69	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[5a,6a]C[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]S[5a])(N[6a]C[6a])	C[6a](C[6a]C[5a,6a]Br)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]C[5a])(C[6a]C[6a]H){1|Br<1>,1|N<2>,1|S<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>}	C[6a](C[6a]C[5a,6a]Br)(N[6a]C[6a])(H){1|N<2>,2|C<3>}	121.4510	0.000	1	121.4510	0.000	1	119.5443	2.802	3	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[5a,6a]C[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]N[5a]2)(N[6a]C[6a])	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]C[5a])(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<2>,2|N<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>}	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(H){3|C<3>}	118.5910	0.389	2	118.5910	0.151	2	119.5443	2.802	3	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]C[6a])(N[6a]C[6a])	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]C[6a])(N[6a]C[6a]){3|H<1>,6|C<3>}	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(H){3|C<3>}	117.9440	0.000	1	117.9440	0.000	1	119.2930	2.284	3	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[5a,6a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|N<2>,4|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>}	C[6a](C[6a]C[5a,6a]C[6a])(N[6a]C[6a])(H){1|N<2>,4|C<3>}	120.9260	0.000	1	120.9260	0.000	1	119.2930	2.284	3	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(N[6a]C[6a]){1|Cl<1>,3|H<1>,5|C<3>}	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(H){3|C<3>}	119.0090	0.000	1	119.0090	0.000	1	119.2930	2.284	3	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6,6,6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6,6,6a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6,6,6a]H)(N[6a]C[6a])	C[6a](C[6,6,6a]C[6,6,6a]C[4,6,6])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6,6,6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	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>}	C[6a](C[6,6,6a]C[6,6,6a]C[4,6,6])(N[6a]C[6a])(H){1|H<1>,2|C<3>,3|C<4>}	118.0195	0.206	2	118.0195	0.042	2	118.0195	0.042	2	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6,6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6,6a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6,6a]H)(N[6a]C[6a])	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6,6a]H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6,6a]H)(N[6a]C[6a]){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(H){2|C<3>,2|C<4>,2|H<1>}	117.3635	0.241	2	117.3635	0.058	2	117.3635	0.058	2	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a,6a]H)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a,6a]C[6a])(N[6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a,6a]H){5|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a,6a]C[6a])(N[6a]C[6a]){1|N<3>,2|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H){1|H<1>,4|C<3>}	117.6990	0.000	1	117.6990	0.000	1	117.6990	0.000	1	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a]C[5,5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5,5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	116.5475	0.149	2	116.5475	0.022	2	117.0640	1.117	325	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a]C[5a,5a]C[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a,5a]C[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	117.6510	0.000	1	117.6510	0.000	1	117.0640	1.117	325	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	118.1800	0.000	1	118.1800	0.000	1	117.0640	1.117	325	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a]C[5a,6]S[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a,6]S[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	117.8561	0.509	10	117.8561	0.259	10	117.0640	1.117	325	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)(N[6a]C[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<2>,4|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)(N[6a]C[6a]){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	118.3920	0.000	1	118.8265	0.378	2	117.0640	1.117	325	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)(N[6a]C[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<2>,4|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)(N[6a]C[6a]){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	119.2610	0.000	1	118.8265	0.378	2	117.0640	1.117	325	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	117.7630	0.000	1	117.7630	0.000	1	117.0640	1.117	325	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]N[6a]O)(N[6a]C[6a])	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,1|O<1>,3|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]N[6a]O)(N[6a]C[6a]){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a])(H){1|H<1>,4|C<3>}	119.5150	0.000	1	119.5150	0.000	1	117.0640	1.117	325	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]N[6a]O)(N[6a]C[6a])	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]N[6a]O)(N[6a]C[6a]){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<4>,2|C<3>}	118.6210	0.000	1	118.6210	0.000	1	117.0640	1.117	325	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|B<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	116.3725	0.098	2	116.3725	0.010	2	117.0640	1.117	325	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,1|S<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	116.6990	0.092	2	116.8757	0.106	4	117.0640	1.117	325	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	117.0525	0.429	2	116.8757	0.106	4	117.0640	1.117	325	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	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>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	116.8448	0.449	32	117.1966	0.855	111	117.0640	1.117	325	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	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>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	117.2250	0.000	1	117.1966	0.855	111	117.0640	1.117	325	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	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>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	124.1960	0.000	1	117.1966	0.855	111	117.0640	1.117	325	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	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>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	117.9705	2.897	2	117.1966	0.855	111	117.0640	1.117	325	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	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>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	116.8745	0.515	2	117.1966	0.855	111	117.0640	1.117	325	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,2|C<3>,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>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	117.1752	0.667	29	117.1966	0.855	111	117.0640	1.117	325	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,2|C<3>,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>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	117.2490	0.098	3	117.1966	0.855	111	117.0640	1.117	325	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	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>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	116.4390	0.000	1	117.1966	0.855	111	117.0640	1.117	325	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	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>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	117.2467	0.451	3	117.1966	0.855	111	117.0640	1.117	325	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	117.9060	0.000	1	117.1966	0.855	111	117.0640	1.117	325	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	117.4766	0.410	8	117.1966	0.855	111	117.0640	1.117	325	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	116.5980	0.000	1	117.1966	0.855	111	117.0640	1.117	325	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	117.1495	0.559	8	117.1966	0.855	111	117.0640	1.117	325	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	116.9060	0.000	1	117.1966	0.855	111	117.0640	1.117	325	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	118.2037	0.704	3	117.1966	0.855	111	117.0640	1.117	325	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|Pt<4>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	117.0950	0.000	1	117.1966	0.855	111	117.0640	1.117	325	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|S<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	117.0690	0.009	4	117.1966	0.855	111	117.0640	1.117	325	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|Se<2>,1|N<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	116.8150	0.000	1	117.1966	0.855	111	117.0640	1.117	325	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	117.3467	0.447	7	117.1966	0.855	111	117.0640	1.117	325	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	117.0115	0.784	2	117.1966	0.855	111	117.0640	1.117	325	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	116.7270	0.000	1	116.7270	0.000	1	117.0640	1.117	325	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]F)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|F<1>,1|H<1>,1|S<2>,2|C<3>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]F)(N[6a]C[6a]){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	118.5830	0.000	1	118.5830	0.000	1	117.0640	1.117	325	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	117.5385	0.255	2	117.3979	0.607	17	117.0640	1.117	325	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|Pd<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	118.1090	0.000	1	117.3979	0.607	17	117.0640	1.117	325	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|S<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	117.0030	0.000	1	117.3979	0.607	17	117.0640	1.117	325	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	117.3520	0.862	13	117.3979	0.607	17	117.0640	1.117	325	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a]C[5a]S[5a])(C[6a]N[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C[6a](C[5a]C[5a]S[5a])(C[6a]N[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a])(H){1|S<2>,3|C<3>}	116.9954	0.789	5	116.9954	0.623	5	117.0640	1.117	325	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a]N[5,5a]N[5a])(C[6a]N[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,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>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){2|C<3>}	115.5350	0.000	1	115.5350	0.000	1	117.0640	1.117	325	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a]N[5a,5a]N[5a])(C[6a]N[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,2|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>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){2|C<3>}	116.4150	0.000	1	116.4150	0.000	1	117.0640	1.117	325	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a]N[5a,6]C[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a]N[5a,6]C[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	116.7940	0.305	4	116.7940	0.093	4	117.0640	1.117	325	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a]N[5a,6a]C[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a]N[5a,6a]C[5a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,2|N<2>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	117.0055	0.230	2	117.3706	0.261	8	117.0640	1.117	325	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a]N[5a,6a]C[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a]N[5a,6a]C[5a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	117.8755	0.523	2	117.3706	0.261	8	117.0640	1.117	325	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a]N[5a,6a]C[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a]N[5a,6a]C[5a])(C[6a]C[6a]H)(N[6a]C[6a]){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	117.3007	0.486	4	117.3706	0.261	8	117.0640	1.117	325	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a]N[5a,6a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|H<1>,1|N<2>,1|N<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>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	117.6930	0.000	1	117.6930	0.000	1	117.0640	1.117	325	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a]N[5a,6a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	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>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	116.1765	0.094	2	117.1597	0.929	12	117.0640	1.117	325	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a]N[5a,6a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	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>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	116.5120	0.000	1	117.1597	0.929	12	117.0640	1.117	325	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a]N[5a,6a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[5a]N[5a,6a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	117.4501	0.942	9	117.1597	0.929	12	117.0640	1.117	325	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]C)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,2|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>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	117.1785	0.828	2	117.1785	0.686	2	117.0640	1.117	325	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	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>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	116.7698	0.481	5	117.0109	1.482	96	117.0640	1.117	325	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	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>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	116.9140	0.000	1	117.0109	1.482	96	117.0640	1.117	325	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	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>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	116.5440	0.374	4	117.0109	1.482	96	117.0640	1.117	325	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	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>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	117.4362	1.133	20	117.0109	1.482	96	117.0640	1.117	325	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	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>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	117.6000	0.000	1	117.0109	1.482	96	117.0640	1.117	325	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	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>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	117.8990	0.000	1	117.0109	1.482	96	117.0640	1.117	325	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	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>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	116.7342	0.559	6	117.0109	1.482	96	117.0640	1.117	325	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	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>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	116.3757	0.391	3	117.0109	1.482	96	117.0640	1.117	325	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	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>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	116.5479	0.401	29	117.0109	1.482	96	117.0640	1.117	325	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	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>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	118.3620	0.000	1	117.0109	1.482	96	117.0640	1.117	325	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	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>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	116.6112	0.631	6	117.0109	1.482	96	117.0640	1.117	325	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	116.9380	0.000	1	117.0109	1.482	96	117.0640	1.117	325	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,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>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	118.1662	3.043	9	117.0109	1.482	96	117.0640	1.117	325	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<3>,2|H<1>,2|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>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	117.0095	0.953	4	117.0109	1.482	96	117.0640	1.117	325	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<3>,2|H<1>,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>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	117.1932	0.528	5	117.0109	1.482	96	117.0640	1.117	325	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a]N[5a]2)(C[6a]N[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,2|N<2>}	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>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){2|C<3>}	115.8631	0.609	8	116.1942	1.184	19	117.0640	1.117	325	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a]N[5a]2)(C[6a]N[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,2|N<2>}	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>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){2|C<3>}	116.0780	0.000	1	116.1942	1.184	19	117.0640	1.117	325	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a]N[5a]2)(C[6a]N[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,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>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){2|C<3>}	115.6020	0.000	1	116.1942	1.184	19	117.0640	1.117	325	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a]N[5a]2)(C[6a]N[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,2|N<2>}	C[6a](C[5a]N[5a]2)(C[6a]N[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){2|C<3>}	116.1645	0.036	4	116.1942	1.184	19	117.0640	1.117	325	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a]N[5a]2)(C[6a]N[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,3|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>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){2|C<3>}	120.3400	0.000	1	116.1942	1.184	19	117.0640	1.117	325	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a]N[5a]2)(C[6a]N[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,3|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>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){2|C<3>}	116.0267	0.229	4	116.1942	1.184	19	117.0640	1.117	325	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	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>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	116.9195	0.708	2	116.7520	0.335	3	117.0640	1.117	325	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	116.4170	0.000	1	116.7520	0.335	3	117.0640	1.117	325	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a]N[5a]O[5a])(C[6a]N[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,2|N<2>}	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>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H){2|C<3>}	115.2925	0.251	2	115.2925	0.063	2	117.0640	1.117	325	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a]N[5a]O[5a])(C[6a]N[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|O<2>,2|H<1>,2|N<2>}	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>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){2|C<3>}	114.9633	0.459	3	114.9633	0.210	3	117.0640	1.117	325	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	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>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	116.6717	0.330	3	116.8037	0.296	12	117.0640	1.117	325	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	116.8478	0.609	9	116.8037	0.296	12	117.0640	1.117	325	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a]N[5a]S[5a])(C[6a]N[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|S<2>,2|H<1>,2|N<2>}	C[6a](C[5a]N[5a]S[5a])(C[6a]N[6a]H)(N[6a]C[6a]){1|H<1>,3|C<3>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){2|C<3>}	115.4610	0.000	1	115.4610	0.000	1	117.0640	1.117	325	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:I-1:	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]I)	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(I)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]I){1|N<2>,2|C<3>,2|H<1>}	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>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(I){1|H<1>,2|C<3>}	116.9980	0.000	1	116.9980	0.000	1	116.9980	0.000	1	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N[6a])(N[6a]C[6a])	C[6a](C[6a]C[6,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N[6a])(N[6a]C[6a]){2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6,6a]H)(N[6a]C[6a])(H){1|C<4>,2|C<3>}	117.9680	0.721	2	117.9680	0.520	2	117.9680	0.520	2	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:Br-1:	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br){2|H<1>,3|C<3>}	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|Br<1>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br){1|H<1>,2|C<3>}	116.4990	0.000	1	116.4990	0.000	1	116.6615	2.214	4	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:Br-1:	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]C)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6]C[6]N[6])(C[6a]C[6a]C)(N[6a]C[6a]){1|Br<1>,1|Rh<8>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br){1|H<1>,2|C<3>}	117.8430	0.000	1	117.8430	0.000	1	116.6615	2.214	4	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:Br-1:	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|Br<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br){1|H<1>,2|C<3>}	117.6850	0.000	1	117.6850	0.000	1	116.6615	2.214	4	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:Br-1:	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Rh)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br){1|Rh<8>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Rh)(N[6a]C[6a]){1|Br<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br){1|H<1>,2|C<3>}	114.6190	0.000	1	114.6190	0.000	1	116.6615	2.214	4	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[5,6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6]C[5,6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	116.9430	0.000	1	116.9430	0.000	1	117.1413	1.233	169	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	116.3555	0.564	2	116.3555	0.318	2	117.1413	1.233	169	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	117.8190	0.000	1	117.8190	0.000	1	117.1413	1.233	169	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<4>,2|C<3>}	117.1550	0.000	1	118.4100	3.150	2	117.1413	1.233	169	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	119.6650	0.000	1	118.4100	3.150	2	117.1413	1.233	169	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<2>,1|C<3>,1|N<2>,2|H<1>}	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	119.2460	0.000	1	117.0777	1.151	147	117.1413	1.233	169	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	117.2290	0.328	2	117.0777	1.151	147	117.1413	1.233	169	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|Ru<9>,1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	117.8180	0.000	1	117.0777	1.151	147	117.1413	1.233	169	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	117.0800	0.000	1	117.0777	1.151	147	117.1413	1.233	169	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	117.0135	0.127	2	117.0777	1.151	147	117.1413	1.233	169	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	117.0344	0.876	8	117.0777	1.151	147	117.1413	1.233	169	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	116.4415	0.650	2	117.0777	1.151	147	117.1413	1.233	169	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	116.8651	0.752	37	117.0777	1.151	147	117.1413	1.233	169	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	117.3290	0.000	1	117.0777	1.151	147	117.1413	1.233	169	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|As<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	120.1590	0.000	1	117.0777	1.151	147	117.1413	1.233	169	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|B<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	116.2100	0.000	1	117.0777	1.151	147	117.1413	1.233	169	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	117.4540	0.000	2	117.0777	1.151	147	117.1413	1.233	169	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<4>,2|C<3>}	117.0455	1.743	8	117.0777	1.151	147	117.1413	1.233	169	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|Cu<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	117.1975	0.578	2	117.0777	1.151	147	117.1413	1.233	169	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|Cu<5>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	116.7512	0.657	4	117.0777	1.151	147	117.1413	1.233	169	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|Ir<6>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	116.7138	2.288	4	117.0777	1.151	147	117.1413	1.233	169	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|Mn<6>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	117.1810	0.134	2	117.0777	1.151	147	117.1413	1.233	169	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|Ni<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	116.5530	0.000	1	117.0777	1.151	147	117.1413	1.233	169	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	118.0420	0.339	3	117.0777	1.151	147	117.1413	1.233	169	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|Pt<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	116.8705	0.180	2	117.0777	1.151	147	117.1413	1.233	169	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|Pt<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	116.7645	0.418	2	117.0777	1.151	147	117.1413	1.233	169	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|Pt<6>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	116.3950	0.824	2	117.0777	1.151	147	117.1413	1.233	169	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|Re<6>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	116.4567	0.857	16	117.0777	1.151	147	117.1413	1.233	169	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|Ru<6>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	116.3940	0.461	3	117.0777	1.151	147	117.1413	1.233	169	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|S<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	117.1280	0.000	1	117.0777	1.151	147	117.1413	1.233	169	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|Zn<6>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	119.2915	0.496	2	117.0777	1.151	147	117.1413	1.233	169	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	117.4471	1.126	36	117.0777	1.151	147	117.1413	1.233	169	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|H<1>,1|N<3>,1|N<4>,2|C<3>}	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	117.5010	0.000	1	118.0643	0.241	3	117.1413	1.233	169	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|H<1>,2|C<3>,2|N<3>}	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	118.3460	0.081	2	118.0643	0.241	3	117.1413	1.233	169	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]P)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|H<1>,1|N<3>,1|P<4>,2|C<3>}	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]P)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	117.3650	0.000	1	117.3650	0.000	1	117.1413	1.233	169	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]S)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|H<1>,1|N<3>,1|S<4>,2|C<3>}	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]S)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	116.9600	0.000	1	116.9600	0.000	1	117.1413	1.233	169	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]N)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|H<1>,2|C<3>,2|N<3>}	C[6a](C[6]C[6]N[6])(C[6a]C[6a]N)(N[6a]C[6a]){1|Fe<6>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	118.7750	0.000	1	118.1990	0.664	2	117.1413	1.233	169	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]N)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|H<1>,2|C<3>,2|N<3>}	C[6a](C[6]C[6]N[6])(C[6a]C[6a]N)(N[6a]C[6a]){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	117.6230	0.000	1	118.1990	0.664	2	117.1413	1.233	169	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]O)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6a](C[6]C[6]N[6])(C[6a]C[6a]O)(N[6a]C[6a]){1|Os<6>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	121.9100	0.000	1	121.9100	0.000	1	117.1413	1.233	169	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pt)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pt)(N[6a]C[6a]){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	116.8725	0.200	2	116.8353	0.024	3	117.1413	1.233	169	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pt)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|Pt<6>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pt)(N[6a]C[6a]){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	116.7610	0.000	1	116.8353	0.024	3	117.1413	1.233	169	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ru)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ru)(N[6a]C[6a]){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	116.9400	0.000	1	116.9400	0.000	1	117.1413	1.233	169	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	116.7425	0.134	2	116.7425	0.018	2	117.1413	1.233	169	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6]S[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	C[6a](C[6]C[6]S[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|S<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	117.7390	0.000	1	117.2085	0.563	2	117.1413	1.233	169	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6]S[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|S<4>,2|C<3>,2|H<1>}	C[6a](C[6]C[6]S[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|C<3>,2|O<1>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	116.6780	0.000	1	117.2085	0.563	2	117.1413	1.233	169	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:Cl-1:	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]Cl)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]N[6a])(N[6a]C[6a])	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]Cl){1|N<2>,4|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]N[6a])(N[6a]C[6a]){2|Cl<1>,1|N<2>,5|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a])(Cl){1|Cl<1>,1|N<2>,3|C<3>}	119.8880	0.000	1	119.8880	0.000	1	119.8880	0.000	1	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6a]C[6a])	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6a]C[6a]){1|C<2>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(H){3|C<3>}	117.6497	0.141	3	117.8879	0.757	12	118.1170	0.661	21	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6a]C[6a])	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6a]C[6a]){1|C<4>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(H){3|C<3>}	117.8223	0.269	3	117.8879	0.757	12	118.1170	0.661	21	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6a]C[6a])	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6a]C[6a]){1|P<3>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(H){3|C<3>}	117.2820	0.000	1	117.8879	0.757	12	118.1170	0.661	21	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6a]C[6a])	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6a]C[6a]){1|Pd<4>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(H){3|C<3>}	119.5400	0.522	2	117.8879	0.757	12	118.1170	0.661	21	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6a]C[6a])	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6a]C[6a]){1|S<3>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(H){3|C<3>}	117.2923	0.631	3	117.8879	0.757	12	118.1170	0.661	21	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]N[6a])(N[6a]C[6a])	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]N[6a])(N[6a]C[6a]){1|C<4>,1|H<1>,6|C<3>}	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(H){3|C<3>}	118.7395	0.486	4	118.7395	0.236	4	118.1170	0.661	21	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(H){3|C<3>}	117.5220	0.000	1	118.2627	0.507	3	118.1170	0.661	21	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]){4|H<1>,5|C<3>}	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(H){3|C<3>}	118.6330	0.437	2	118.2627	0.507	3	118.1170	0.661	21	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(N[6a]C[6a])	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(N[6a]C[6a]){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(H){3|C<3>}	118.0285	0.958	2	118.0285	0.918	2	118.1170	0.661	21	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C)(CC[6a]C[6])(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(CC[6a]C[6])(N[6a]C[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	116.9995	0.087	2	116.9995	0.008	2	117.2226	0.136	5	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(CC[6a]C[5])(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(CC[6a]C[5])(N[6a]C[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	117.4520	0.577	2	117.3713	0.186	3	117.2226	0.136	5	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(CC[6a]C[5])(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(CC[6a]C[5])(N[6a]C[6a]){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){3|C<3>}	117.2100	0.000	1	117.3713	0.186	3	117.2226	0.136	5	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[5])	C[6a](C[6a]C[6a,6a]H)(C[5]N[5]O[5])(N[6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[5]){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[5]N[5]O[5])(N[6a]C[6a]){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H){1|H<1>,4|C<3>}	116.2070	0.000	1	116.2070	0.000	1	116.2070	0.000	1	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[5a]N[6a])(C[5a]N[5a]2)(N[6a]C[6a])	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>,2|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>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){2|C<3>}	116.8750	0.000	1	116.8750	0.000	1	116.8750	0.000	1	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6]C[6]N[6])(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6]C[6]N[6])(N[6a]C[6a]){1|Pt<4>,2|H<1>,2|N<3>,4|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	117.5870	0.000	1	117.5870	0.000	1	117.3520	0.699	20	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6]C[6]N[6])(N[6a]C[6a])	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6]C[6]N[6])(N[6a]C[6a]){1|N<2>,3|H<1>,4|C<3>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){2|C<3>}	117.2512	1.549	5	117.2512	2.399	5	117.3520	0.699	20	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C[6])(C[6]C[6]N[6])(N[6a]C[6a])	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6a]N[6a]C[6])(C[6]C[6]N[6])(N[6a]C[6a]){1|N<2>,3|H<1>,4|C<3>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){2|C<3>}	116.6440	0.000	1	117.3712	0.275	14	117.3520	0.699	20	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C[6])(C[6]C[6]N[6])(N[6a]C[6a])	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6a]N[6a]C[6])(C[6]C[6]N[6])(N[6a]C[6a]){1|Pd<4>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){2|C<3>}	117.5973	0.511	8	117.3712	0.275	14	117.3520	0.699	20	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C[6])(C[6]C[6]N[6])(N[6a]C[6a])	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6a]N[6a]C[6])(C[6]C[6]N[6])(N[6a]C[6a]){1|Pt<4>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){2|C<3>}	117.2815	0.293	4	117.3712	0.275	14	117.3520	0.699	20	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C[6])(C[6]C[6]N[6])(N[6a]C[6a])	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|H<1>,2|C<3>,2|N<2>}	C[6a](C[6a]N[6a]C[6])(C[6]C[6]N[6])(N[6a]C[6a]){1|C<2>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){2|C<3>}	116.6490	0.000	1	117.3712	0.275	14	117.3520	0.699	20	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[5a,6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]2){1|H<1>,1|S<2>,3|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a]){3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a])(H){4|C<3>}	119.0130	0.000	1	119.0130	0.000	1	118.8313	0.026	3	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[5a,6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[5a,6a]H)(N[6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]2){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[5a,6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(N[6a]C[6a])(H){4|C<3>}	118.7405	0.054	2	118.7405	0.003	2	118.8313	0.026	3	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6,6,6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]N[6a])(N[6a]C[6a])	C[6a](C[6,6,6a]C[6,6,6a]C[4,6,6])(N[6a]C[6a])(H)	N[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]2){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]N[6a])(N[6a]C[6a]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6,6,6a]C[6,6,6a]C[4,6,6])(N[6a]C[6a])(H){1|H<1>,2|C<3>,3|C<4>}	117.0277	0.656	4	117.3457	0.444	8	117.3457	0.444	8	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6,6,6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]N[6a])(N[6a]C[6a])	C[6a](C[6,6,6a]C[6,6,6a]C[4,6,6])(N[6a]C[6a])(H)	N[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]2){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]N[6a])(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[4,6,6])(N[6a]C[6a])(H){1|H<1>,2|C<3>,3|C<4>}	117.6637	0.579	4	117.3457	0.444	8	117.3457	0.444	8	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2){1|C<4>,4|C<3>}	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]2)(N[6a]C[6a]){3|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H){1|H<1>,4|C<3>}	117.6505	0.381	2	117.6505	0.145	2	117.8430	0.215	10	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]2)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2){5|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]){3|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]2)(N[6a]C[6a])(H){5|C<3>}	118.0200	0.000	1	118.0200	0.000	1	117.8430	0.215	10	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2){5|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|O<2>,3|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H){1|O<1>,1|O<2>,3|C<3>}	118.4630	0.000	1	117.8645	0.716	2	117.8430	0.215	10	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2){5|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]){3|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H){1|H<1>,4|C<3>}	117.2660	0.000	1	117.8645	0.716	2	117.8430	0.215	10	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,3|C<3>,3|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H){1|H<1>,1|N<2>,3|C<3>}	117.6270	0.000	1	118.0375	0.337	2	117.8430	0.215	10	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a]){3|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H){1|F<1>,4|C<3>}	118.4480	0.000	1	118.0375	0.337	2	117.8430	0.215	10	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2){1|O<2>,4|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(N[6a]C[6a]){3|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H){1|H<1>,4|C<3>}	118.2190	0.000	1	118.2190	0.000	1	117.8430	0.215	10	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]S)(C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2){1|S<2>,4|C<3>}	C[6a](C[6a]C[6a,6a]S)(C[6a]C[6a]2)(N[6a]C[6a]){3|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H){1|H<1>,4|C<3>}	117.5430	0.486	2	117.5430	0.237	2	117.8430	0.215	10	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:Br-1:	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]2){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|Br<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br){1|H<1>,2|C<3>}	116.9580	0.000	1	116.9580	0.000	1	117.2014	0.704	5	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:Br-1:	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]2){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(N[6a]C[6a]){1|Br<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br){1|H<1>,2|C<3>}	118.4580	0.000	1	118.4580	0.000	1	117.2014	0.704	5	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:Br-1:	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]2){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|Br<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br){1|H<1>,2|C<3>}	116.8637	0.646	3	116.8637	0.417	3	117.2014	0.704	5	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:Cl-1:	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2){1|C<2>,1|C<4>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){1|Cl<1>,1|C<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Cl){1|C<2>,2|C<3>}	119.8950	0.157	2	119.8950	0.025	2	118.6947	2.521	4	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:Cl-1:	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2){1|C<2>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Cl){1|H<1>,2|C<3>}	118.4370	0.000	1	118.4370	0.000	1	118.6947	2.521	4	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:Cl-1:	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|Br<1>,1|Cl<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl){1|H<1>,2|C<3>}	116.5520	0.000	1	116.5520	0.000	1	118.6947	2.521	4	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	118.2780	0.000	1	118.2780	0.000	1	117.5298	1.231	1170	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[5,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[5,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	116.6100	0.000	1	116.9714	0.129	7	117.5298	1.231	1170	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[5,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[5,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	117.0317	0.353	6	116.9714	0.129	7	117.5298	1.231	1170	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[5a,6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[5a,6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	117.1380	0.000	1	117.1380	0.000	1	117.5298	1.231	1170	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]C)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]C)(N[6a]C[6a]){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	117.3795	0.036	2	117.3795	0.001	2	117.5298	1.231	1170	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	118.3330	0.276	2	118.3330	0.076	2	117.5298	1.231	1170	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){5|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|O<2>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){3|C<3>}	119.0430	0.000	1	119.0430	0.000	1	117.5298	1.231	1170	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,1|O<2>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	118.6750	0.000	1	118.6750	0.000	1	117.5298	1.231	1170	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	117.4510	0.767	2	117.7690	0.333	4	117.5298	1.231	1170	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	118.0870	0.076	2	117.7690	0.333	4	117.5298	1.231	1170	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(N[6a]C[6a]){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	117.5593	0.342	3	117.5593	0.117	3	117.5298	1.231	1170	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	117.0300	0.000	1	117.0754	0.209	11	117.5298	1.231	1170	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	117.2800	0.000	1	117.0754	0.209	11	117.5298	1.231	1170	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|O<1>,2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	117.4060	0.000	1	117.0754	0.209	11	117.5298	1.231	1170	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	116.9020	0.000	1	117.0754	0.209	11	117.5298	1.231	1170	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){3|C<3>}	116.5370	0.000	1	117.0754	0.209	11	117.5298	1.231	1170	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	117.1123	0.567	6	117.0754	0.209	11	117.5298	1.231	1170	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	116.8500	0.235	2	116.9412	0.154	8	117.5298	1.231	1170	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	116.9717	0.447	6	116.9412	0.154	8	117.5298	1.231	1170	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){5|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H){1|H<1>,4|C<3>}	118.3690	0.000	1	118.3690	0.000	1	117.5298	1.231	1170	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){3|C<3>}	117.0800	0.000	1	117.0800	0.000	1	117.5298	1.231	1170	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H){1|H<1>,4|C<3>}	118.2350	0.243	2	118.2350	0.059	2	117.5298	1.231	1170	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|Br<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){3|C<3>}	118.5160	0.000	1	118.5160	0.000	1	117.5298	1.231	1170	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	117.6840	0.000	1	117.6870	0.000	2	117.5298	1.231	1170	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){3|C<3>}	117.6900	0.000	1	117.6870	0.000	2	117.5298	1.231	1170	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	117.4700	0.000	1	117.4700	0.000	1	117.5298	1.231	1170	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|B<6>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	117.5340	0.000	1	117.8470	0.842	98	117.5298	1.231	1170	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<2>,1|N<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	117.7475	0.372	4	117.8470	0.842	98	117.5298	1.231	1170	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<2>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<2>,2|C<3>}	119.8935	0.018	2	117.8470	0.842	98	117.5298	1.231	1170	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	116.8420	0.000	1	117.8470	0.842	98	117.5298	1.231	1170	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|F<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<4>,2|C<3>}	118.0250	0.000	1	117.8470	0.842	98	117.5298	1.231	1170	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<4>,2|C<3>}	117.2400	0.000	1	117.8470	0.842	98	117.5298	1.231	1170	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<4>,2|C<3>}	117.3120	0.000	1	117.8470	0.842	98	117.5298	1.231	1170	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	117.6905	0.480	2	117.8470	0.842	98	117.5298	1.231	1170	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|F<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	116.9940	0.479	2	117.8470	0.842	98	117.5298	1.231	1170	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|F<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){3|C<3>}	116.8280	0.000	1	117.8470	0.842	98	117.5298	1.231	1170	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|F<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	117.7000	0.438	2	117.8470	0.842	98	117.5298	1.231	1170	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	118.7320	0.000	1	117.8470	0.842	98	117.5298	1.231	1170	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	117.5650	0.000	1	117.8470	0.842	98	117.5298	1.231	1170	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	117.8620	0.000	1	117.8470	0.842	98	117.5298	1.231	1170	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	117.8370	0.000	1	117.8470	0.842	98	117.5298	1.231	1170	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|N<3>,2|C<3>}	119.8390	0.000	1	117.8470	0.842	98	117.5298	1.231	1170	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	118.0395	0.642	8	117.8470	0.842	98	117.5298	1.231	1170	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	117.9650	0.000	1	117.8470	0.842	98	117.5298	1.231	1170	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	118.9116	1.261	8	117.8470	0.842	98	117.5298	1.231	1170	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|Pt<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	117.5840	0.000	1	117.8470	0.842	98	117.5298	1.231	1170	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|Si<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	119.2442	0.306	4	117.8470	0.842	98	117.5298	1.231	1170	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|F<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	115.9340	0.000	1	117.8470	0.842	98	117.5298	1.231	1170	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	117.3360	0.000	1	117.8470	0.842	98	117.5298	1.231	1170	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	117.6552	0.719	37	117.8470	0.842	98	117.5298	1.231	1170	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	117.5638	0.337	12	117.8470	0.842	98	117.5298	1.231	1170	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){3|C<3>}	116.2150	0.059	2	117.8470	0.842	98	117.5298	1.231	1170	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|F<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	118.1900	0.000	1	118.1900	0.000	1	117.5298	1.231	1170	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(H){1|N<3>,2|C<3>}	116.6310	0.387	2	117.4772	1.022	4	117.5298	1.231	1170	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	118.3235	0.224	2	117.4772	1.022	4	117.5298	1.231	1170	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]S)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,1|S<4>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]S)(N[6a]C[6a]){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	117.6600	0.000	1	117.6600	0.000	1	117.5298	1.231	1170	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(H){1|N<2>,3|C<3>}	117.1820	0.000	1	117.1193	0.005	3	117.5298	1.231	1170	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(N[6a]C[6a]){1|F<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(H){4|C<3>}	117.0480	0.000	1	117.1193	0.005	3	117.5298	1.231	1170	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(H){4|C<3>}	117.1280	0.000	1	117.1193	0.005	3	117.5298	1.231	1170	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){2|C<3>}	116.7650	0.000	1	116.7650	0.000	1	117.5298	1.231	1170	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]O)(N[6a]C[6a])	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]O)(N[6a]C[6a]){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H){1|C<4>,2|C<3>}	117.9690	0.000	1	119.4497	1.651	3	117.5298	1.231	1170	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]O)(N[6a]C[6a])	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]O)(N[6a]C[6a]){3|C<3>,4|H<1>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	120.1900	0.119	2	119.4497	1.651	3	117.5298	1.231	1170	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)2(N[6a]C[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,4|C<3>}	C[6a](C[6a]C[6a]2)2(N[6a]C[6a]){1|N<3>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	120.6125	0.125	2	120.6125	0.016	2	117.5298	1.231	1170	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)2(N[6a]C[6a])	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|Cl<1>,4|C<3>}	C[6a](C[6a]C[6a]2)2(N[6a]C[6a]){1|N<2>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	119.3371	0.510	9	119.3371	0.260	9	117.5298	1.231	1170	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)2(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]2)2(N[6a]C[6a]){1|N<3>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	120.1360	0.426	2	120.1360	0.181	2	117.5298	1.231	1170	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	116.9190	0.000	1	116.9543	0.223	40	117.5298	1.231	1170	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(N[6a]C[6a]){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	117.3090	0.000	1	116.9543	0.223	40	117.5298	1.231	1170	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|C<3>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(N[6a]C[6a]){1|C<3>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	116.8650	0.418	4	116.9543	0.223	40	117.5298	1.231	1170	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|C<3>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(N[6a]C[6a]){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	116.7977	0.619	4	116.9543	0.223	40	117.5298	1.231	1170	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|C<3>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(N[6a]C[6a]){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	116.9765	0.483	30	116.9543	0.223	40	117.5298	1.231	1170	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>,2|N<2>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(N[6a]C[6a]){1|C<3>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	117.9910	0.000	1	117.9910	0.000	1	117.5298	1.231	1170	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a]){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(H){4|C<3>}	118.2420	0.000	1	118.2420	0.000	1	117.5298	1.231	1170	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(N[6a]C[6a]){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	117.8163	0.451	12	117.8163	0.203	12	117.5298	1.231	1170	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H){1|H<1>,1|S<2>,3|C<3>}	118.3260	0.961	4	118.3260	0.924	4	117.5298	1.231	1170	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H){1|H<1>,4|C<3>}	117.9999	0.464	9	117.9999	0.216	9	117.5298	1.231	1170	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|C<2>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	117.9644	0.447	41	118.0707	0.813	75	117.5298	1.231	1170	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	118.2783	1.306	30	118.0707	0.813	75	117.5298	1.231	1170	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	117.6043	0.160	4	118.0707	0.813	75	117.5298	1.231	1170	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H){1|H<1>,2|C<3>,2|N<3>}	118.0033	0.308	4	118.0033	0.095	4	117.5298	1.231	1170	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|B<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|B<3>,2|C<3>}	117.6620	0.498	4	117.4043	1.239	775	117.5298	1.231	1170	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|Br<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|Br<1>,2|C<3>}	117.3700	0.000	1	117.4043	1.239	775	117.5298	1.231	1170	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<2>,2|C<3>}	117.1374	0.408	7	117.4043	1.239	775	117.5298	1.231	1170	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<4>,2|C<3>}	116.4480	0.000	1	117.4043	1.239	775	117.5298	1.231	1170	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	117.2700	0.252	5	117.4043	1.239	775	117.5298	1.231	1170	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<4>,2|C<3>}	116.8269	0.511	34	117.4043	1.239	775	117.5298	1.231	1170	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	117.7798	0.677	6	117.4043	1.239	775	117.5298	1.231	1170	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<5>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<5>,2|C<3>}	116.7030	0.000	1	117.4043	1.239	775	117.5298	1.231	1170	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	117.1054	0.304	14	117.4043	1.239	775	117.5298	1.231	1170	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	117.7973	1.761	98	117.4043	1.239	775	117.5298	1.231	1170	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	117.7540	0.674	3	117.4043	1.239	775	117.5298	1.231	1170	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|N<3>,2|C<3>}	115.9682	0.987	6	117.4043	1.239	775	117.5298	1.231	1170	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|O<2>,2|C<3>}	116.3605	0.163	4	117.4043	1.239	775	117.5298	1.231	1170	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|S<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|S<2>,2|C<3>}	116.5160	0.000	1	117.4043	1.239	775	117.5298	1.231	1170	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|Si<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|Si<4>,2|C<3>}	116.9490	0.000	1	117.4043	1.239	775	117.5298	1.231	1170	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	116.6082	0.407	5	117.4043	1.239	775	117.5298	1.231	1170	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){3|C<3>}	117.0386	0.671	27	117.4043	1.239	775	117.5298	1.231	1170	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	117.4280	1.012	557	117.4043	1.239	775	117.5298	1.231	1170	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	118.0085	0.120	2	117.7917	0.148	3	117.5298	1.231	1170	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|N<2>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	117.3580	0.000	1	117.7917	0.148	3	117.5298	1.231	1170	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(N[6a]C[6a])(H){1|H<1>,4|C<3>}	118.2050	0.000	1	118.2050	0.000	1	117.5298	1.231	1170	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(H){1|C<2>,2|C<3>}	118.2625	0.296	2	118.2625	0.088	2	117.5298	1.231	1170	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N)(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	119.7127	1.511	13	118.9731	2.587	21	117.5298	1.231	1170	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N)(N[6a]C[6a]){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	118.8197	0.172	3	118.9731	2.587	21	117.5298	1.231	1170	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|N<2>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N)(N[6a]C[6a]){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	117.1422	0.288	5	118.9731	2.587	21	117.5298	1.231	1170	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)(N[6a]C[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)(N[6a]C[6a]){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	120.4110	0.000	1	120.4110	0.000	1	117.5298	1.231	1170	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)(N[6a]C[6a]){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	118.3220	0.287	2	118.3220	0.082	2	117.5298	1.231	1170	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C[6])(N[6a]C[6a])	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|N<2>}	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C[6])(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){2|C<3>}	117.6040	0.732	5	117.6040	0.535	5	117.5298	1.231	1170	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|N<2>}	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]H)(N[6a]C[6a]){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(H){4|C<3>}	116.6860	0.000	1	116.8729	0.595	8	117.5298	1.231	1170	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|N<2>}	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(H){1|N<2>,3|C<3>}	116.8996	0.829	7	116.8729	0.595	8	117.5298	1.231	1170	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]H)(N[6a]C[6a]){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H){2|C<3>}	117.0500	0.000	1	117.0500	0.000	1	117.5298	1.231	1170	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|C<3>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]H)(N[6a]C[6a]){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){2|C<3>}	116.6670	0.000	1	116.4179	0.084	7	117.5298	1.231	1170	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|C<3>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){2|C<3>}	116.3763	0.293	6	116.4179	0.084	7	117.5298	1.231	1170	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])2(N[6a]C[6a])	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|N<2>}	C[6a](C[6a]C[6a]N[6a])2(N[6a]C[6a]){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){2|C<3>}	117.1840	0.471	15	117.1840	0.222	15	117.5298	1.231	1170	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]O[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]O[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	118.3600	0.000	1	117.5105	1.443	2	117.5298	1.231	1170	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]O[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]O[6a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	116.6610	0.000	1	117.5105	1.443	2	117.5298	1.231	1170	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	117.1835	0.391	2	117.1835	0.153	2	117.5298	1.231	1170	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]2)(C[6a]N[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|N<2>}	C[6a](C[6a]N[6a]2)(C[6a]N[6a]H)(N[6a]C[6a]){1|C<3>,1|H<1>,2|N<2>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){2|C<3>}	115.7230	0.000	1	115.7405	0.179	6	117.5298	1.231	1170	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]2)(C[6a]N[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|N<2>}	C[6a](C[6a]N[6a]2)(C[6a]N[6a]H)(N[6a]C[6a]){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){2|C<3>}	115.6565	0.497	4	115.7405	0.179	6	117.5298	1.231	1170	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]2)(C[6a]N[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|N<2>}	C[6a](C[6a]N[6a]2)(C[6a]N[6a]H)(N[6a]C[6a]){1|H<1>,3|C<3>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){2|C<3>}	116.0940	0.000	1	115.7405	0.179	6	117.5298	1.231	1170	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a]-3:N[6a]-2:O-1:	N[6a](C[6a]C[6a]2)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	C[6a](N[6a]C[6a]2)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]O){1|C<2>,4|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){1|O<1>,2|C<3>,2|H<1>,2|N<3>}	C[6a](N[6a]C[6a]2)(N[6a]C[6a])(O){1|N<3>,4|C<3>}	118.9770	0.000	1	118.9770	0.000	1	120.4207	1.762	12	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a]-3:N[6a]-2:O-1:	N[6a](C[6a]C[6a]2)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]O){1|C<4>,4|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O){1|H<1>,2|C<3>}	120.3450	0.000	1	120.3450	0.000	1	120.4207	1.762	12	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a]-3:N[6a]-2:O-1:	N[6a](C[6a]C[6a]2)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]O){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(O){1|C<4>,2|C<3>}	119.3975	0.291	2	119.3975	0.084	2	120.4207	1.762	12	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a]-3:N[6a]-2:O-1:	N[6a](C[6a]C[6a]2)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	C[6a](N[6a]C[6a]N)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]O){1|N<2>,4|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6a](N[6a]C[6a]N)(N[6a]C[6a])(O){1|H<1>,2|C<3>}	121.6697	0.599	4	121.3129	0.395	7	120.4207	1.762	12	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a]-3:N[6a]-2:O-1:	N[6a](C[6a]C[6a]2)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	C[6a](N[6a]C[6a]N)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]O){1|N<3>,4|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6a](N[6a]C[6a]N)(N[6a]C[6a])(O){1|H<1>,2|C<3>}	120.8370	0.229	3	121.3129	0.395	7	120.4207	1.762	12	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a]-3:N[6a]-2:O-1:	N[6a](C[6a]C[6a]2)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(N[6a]C[6a])	C[6a](N[6a]N[6a]H)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]O){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(N[6a]C[6a]){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](N[6a]N[6a]H)(N[6a]C[6a])(O){2|C<3>}	117.7420	0.000	1	117.7420	0.000	1	120.4207	1.762	12	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a]-3:N[6a]-2:S-1:	N[6a](C[6a]C[6a]2)(C[6a]N[6a]S)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(S)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]S){1|C<2>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){1|N<3>,1|O<1>,1|S<1>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(S){1|O<1>,2|C<3>}	118.8380	0.000	1	118.8380	0.000	1	118.8380	0.000	1	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:N[6a]-2:	C[6a]-3:N[6a]-2:Cl-1:	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]N)(NC[6a]C[3])(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)(NC[6a]C[3])(N[6a]C[6a]){1|Cl<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl){1|C<3>,1|C<4>,1|N<3>}	116.4160	0.003	2	116.4160	0.000	2	116.4160	0.000	2	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C)(NC[6a]C[3])(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(NC[6a]C[3])(N[6a]C[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	117.3281	0.547	11	117.3281	0.299	11	117.2820	0.529	30	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(NC[6a]C[6])(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(NC[6a]C[6])(N[6a]C[6a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|N<3>}	116.6420	0.055	2	117.1306	0.885	7	117.2820	0.529	30	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(NC[6a]C[6])(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(NC[6a]C[6])(N[6a]C[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	117.3260	1.077	5	117.1306	0.885	7	117.2820	0.529	30	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(NC[6a]Ge[6])(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(NC[6a]Ge[6])(N[6a]C[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	117.7045	1.531	2	117.7045	2.344	2	117.2820	0.529	30	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]N)(NC[6a]C[3])(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)(NC[6a]C[3])(N[6a]C[6a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|N<3>}	117.2527	0.677	10	117.2527	0.459	10	117.2820	0.529	30	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[4]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[4]Si[4]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H){2|Si<4>,1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[4]Si[4]2)(N[6a]C[6a]){1|C<3>,1|N<3>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	117.4860	0.000	1	117.4860	0.000	1	117.4860	0.000	1	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]Cl)(N[5]C[5]N[5])(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]Cl)(N[5]C[5]N[5])(N[6a]C[6a]){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	118.4665	0.559	2	118.2507	0.296	3	118.2507	0.296	3	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]Cl)(N[5]C[5]N[5])(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]Cl)(N[5]C[5]N[5])(N[6a]C[6a]){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	117.8190	0.000	1	118.2507	0.296	3	118.2507	0.296	3	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[5a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[5a]C[5a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[5a]C[5a]2)(N[6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	116.3830	0.000	1	116.8170	1.923	3	116.5910	0.947	7	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[5a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[5a]C[5a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[5a]C[5a]2)(N[6a]C[6a]){2|H<1>,2|N<2>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	115.6990	0.000	1	116.8170	1.923	3	116.5910	0.947	7	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[5a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[5a]C[5a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[5a]C[5a]2)(N[6a]C[6a]){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	118.3690	0.000	1	116.8170	1.923	3	116.5910	0.947	7	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[5a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[5a]N[5a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|F<1>,1|H<1>,2|N<2>}	C[6a](C[6a]C[6a]H)(N[5a]N[5a]2)(N[6a]C[6a]){1|Cl<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|N<3>}	116.9485	0.112	2	116.9485	0.013	2	116.5910	0.947	7	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[5a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[5a]N[5a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]H)(N[5a]N[5a]2)(N[6a]C[6a]){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	115.8945	0.665	2	115.8945	0.443	2	116.5910	0.947	7	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]F)(N[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H){1|C<4>,1|F<1>,3|C<3>}	C[6a](C[6a]C[6a]F)(N[6a]C[6a]2)(N[6a]C[6a]){1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	118.2260	0.000	1	118.2260	0.000	1	116.4797	1.252	11	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(N[6a]C[6a]){1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	116.2610	0.000	1	116.3536	1.120	9	116.4797	1.252	11	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(N[6a]C[6a]){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	115.9890	0.000	1	116.3536	1.120	9	116.4797	1.252	11	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(N[6a]C[6a]){1|O<1>,1|S<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	116.5850	0.000	1	116.3536	1.120	9	116.4797	1.252	11	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(N[6a]C[6a]){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	115.7627	0.431	4	116.3536	1.120	9	116.4797	1.252	11	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(N[6a]C[6a]){1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	118.9630	0.000	1	116.3536	1.120	9	116.4797	1.252	11	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(N[6a]C[6a]){2|H<1>,2|O<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	116.3330	0.000	1	116.3536	1.120	9	116.4797	1.252	11	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a]2)(N[6a]C[6a]){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|N<3>}	115.8690	0.000	1	115.8690	0.000	1	116.4797	1.252	11	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:O-1:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)	C[6a](C[6a]C[6a]2)(N[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a]2)(N[6a]C[6a]){1|O<1>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(O){1|N<3>,2|C<3>}	120.1500	0.020	2	120.1500	0.000	2	120.1500	0.000	2	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-3:N[6a]-2:	N[6a]-3:N[6a]-2:O-1:	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]O)	C[6a](C[6a]C[6a]2)(N[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]O){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|C<3>,2|H<1>,2|O<1>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(O){1|C<3>,1|N<3>,1|O<1>}	118.7030	0.000	1	118.7030	0.000	1	118.7030	0.000	1	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:Br-1:	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]Br)	C[6a](N[5]C[5]S[5])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]Br){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	C[6a](N[5]C[5]S[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|Br<1>,1|O<2>,2|H<1>,2|O<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br){1|C<3>,1|H<1>,1|N<3>}	116.2380	0.000	1	116.2380	0.000	1	116.2380	0.000	1	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](N[5]B[5]C[5])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H){1|B<3>,1|C<3>,1|C<4>,2|H<1>}	C[6a](N[5]B[5]C[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|Si<4>,1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	117.5330	0.000	1	117.5330	0.000	1	116.6636	0.826	19	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	117.3030	0.000	1	116.7321	0.332	7	116.6636	0.826	19	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)(N[6a]C[6a]){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	117.3405	0.071	2	116.7321	0.332	7	116.6636	0.826	19	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	116.3690	0.000	1	116.7321	0.332	7	116.6636	0.826	19	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	116.2573	0.236	3	116.7321	0.332	7	116.6636	0.826	19	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](N[5]C[5,6a]N[5])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](N[5]C[5,6a]N[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	114.9970	0.000	1	114.9970	0.000	1	116.6636	0.826	19	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](N[5]C[5,6a]P[5,5])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H){1|P<3>,2|C<3>,2|H<1>}	C[6a](N[5]C[5,6a]P[5,5])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	118.0730	1.114	2	118.0730	1.242	2	116.6636	0.826	19	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	116.2263	0.309	4	116.3509	0.475	8	116.6636	0.826	19	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|Cu<6>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	116.1120	0.000	1	116.3509	0.475	8	116.6636	0.826	19	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|Mn<6>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	116.5967	1.169	3	116.3509	0.475	8	116.6636	0.826	19	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:Br-1:	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]Br)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]Br){1|N<2>,2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|Br<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br){1|C<3>,1|H<1>,1|N<3>}	115.7410	0.000	1	115.7410	0.000	1	115.7410	0.000	1	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:Cl-1:	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]Cl)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]Cl){1|N<2>,2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl){1|C<3>,1|H<1>,1|N<3>}	116.0510	0.000	1	116.0510	0.000	1	116.0510	0.000	1	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:F-1:	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]F)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(F)	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]F){1|N<2>,2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|F<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(F){1|C<3>,1|H<1>,1|N<3>}	115.3402	0.278	4	115.3402	0.078	4	115.3402	0.078	4	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	116.6120	0.389	2	116.6120	0.151	2	116.4188	0.801	55	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	116.1213	0.385	4	116.1213	0.148	4	116.4188	0.801	55	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](N[5a]C[5a,6a]2)(C[6a]N[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[5a]N[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](N[5a]C[5a,6a]2)(C[6a]N[6a]H)(N[6a]C[6a]){1|H<1>,5|C<3>}	C[6a](C[6a]N[5a]N[6a])(N[6a]C[6a])(H){1|N<3>,3|C<3>}	116.5930	0.000	1	116.5930	0.000	1	116.4188	0.801	55	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](N[5a]C[5a,6a]B[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H){1|B<3>,2|C<3>,2|H<1>}	C[6a](N[5a]C[5a,6a]B[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|B<3>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	116.6005	0.377	4	116.6005	0.142	4	116.4188	0.801	55	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	116.6500	0.000	1	116.5207	0.243	16	116.4188	0.801	55	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	116.7146	0.520	5	116.5207	0.243	16	116.4188	0.801	55	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	116.5090	0.341	2	116.5207	0.243	16	116.4188	0.801	55	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	117.6220	0.000	1	116.5207	0.243	16	116.4188	0.801	55	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	116.2097	0.241	7	116.5207	0.243	16	116.4188	0.801	55	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	116.6720	0.000	1	116.6720	0.000	1	116.4188	0.801	55	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]N)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]N)(N[6a]C[6a]){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	117.0240	0.000	1	117.0240	0.000	1	116.4188	0.801	55	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(N[6a]C[6a]){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	115.9412	2.939	4	115.9412	8.640	4	116.4188	0.801	55	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|N<2>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	116.5020	0.000	1	116.5020	0.000	1	116.4188	0.801	55	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<2>,1|H<1>,1|N<2>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	117.1010	0.000	1	116.5350	0.243	3	116.4188	0.801	55	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	116.1970	0.000	1	116.5350	0.243	3	116.4188	0.801	55	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	116.3070	0.000	1	116.5350	0.243	3	116.4188	0.801	55	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|I<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|I<1>,1|N<3>}	115.7890	0.168	2	116.5046	0.482	14	116.4188	0.801	55	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	115.6020	0.000	1	116.5046	0.482	14	116.4188	0.801	55	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	117.2815	0.008	2	116.5046	0.482	14	116.4188	0.801	55	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	117.5875	0.090	2	116.5046	0.482	14	116.4188	0.801	55	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	116.5410	0.000	1	116.5046	0.482	14	116.4188	0.801	55	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	116.2677	0.315	6	116.5046	0.482	14	116.4188	0.801	55	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	116.5170	0.307	2	116.5170	0.094	2	116.4188	0.801	55	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](N[5a]C[5a]N[5a])(C[6a]N[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,2|H<1>,2|N<2>}	C[6a](N[5a]C[5a]N[5a])(C[6a]N[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|N<3>}	115.1660	0.662	2	115.1660	0.438	2	116.4188	0.801	55	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:N[6a]-2:	N[6a]-3:N[6a]-2:O-1:	N[6a](C[6a]C[6a]N[5a])(C[6a]N[6a]O)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]N[5a])(C[6a]N[6a]O){1|N<2>,2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|O<1>,2|C<3>,2|N<3>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(O){1|C<3>,2|N<3>}	117.2755	0.233	4	117.2755	0.054	4	117.2755	0.054	4	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)	C[6a](N[6]C[6,6]C[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	C[6a](N[6]C[6,6]C[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<2>,1|N<3>,4|H<1>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	117.9260	0.000	1	117.9260	0.000	1	116.9745	0.527	16	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)	C[6a](N[6]C[6,6]C[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](N[6]C[6,6]C[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,2|N<3>,4|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	117.8085	0.319	2	117.8085	0.102	2	116.9745	0.527	16	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)	C[6a](N[6]C[6,6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](N[6]C[6,6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	115.6050	0.000	1	115.6050	0.000	1	116.9745	0.527	16	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	116.4470	0.000	1	116.4470	0.000	1	116.9745	0.527	16	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	115.9910	0.088	2	115.9910	0.008	2	116.9745	0.527	16	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)	C[6a](N[6]C[6,6a]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](N[6]C[6,6a]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	116.7335	0.165	2	116.7335	0.027	2	116.9745	0.527	16	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	116.6050	0.000	1	117.2367	0.167	6	116.9745	0.527	16	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	117.0050	0.000	1	117.2367	0.167	6	116.9745	0.527	16	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	117.2560	0.000	1	117.2367	0.167	6	116.9745	0.527	16	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,3|C<4>,4|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	117.4550	0.000	1	117.2367	0.167	6	116.9745	0.527	16	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	117.2850	0.000	1	117.2367	0.167	6	116.9745	0.527	16	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	117.8140	0.000	1	117.2367	0.167	6	116.9745	0.527	16	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)	C[6a](N[6]P[6,6]C[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|P<4>,2|H<1>}	C[6a](N[6]P[6,6]C[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|O<2>,2|C<3>,2|N<2>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|N<3>}	117.1280	0.000	1	117.1280	0.000	1	116.9745	0.527	16	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:O-1:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O){1|C<4>,4|C<3>}	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]2)(N[6a]C[6a]){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(O){1|H<1>,1|N<3>,3|C<3>}	119.9150	0.000	1	119.9150	0.000	1	119.9950	0.013	2	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:O-1:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O){5|C<3>}	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|O<1>,2|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(O){1|H<1>,1|N<3>,3|C<3>}	120.0750	0.000	1	120.0750	0.000	1	119.9950	0.013	2	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	P[6,6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]P[6,6]C[6a])(C[6a]C[6a]H)	C[6a](P[6,6]C[3x6]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]P[6,6]C[6a])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](P[6,6]C[3x6]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|H<1>,2|O<2>,5|C<4>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|P<3>}	116.8100	0.000	1	117.1307	0.118	3	117.1307	0.118	3	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	P[6,6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]P[6,6]C[6a])(C[6a]C[6a]H)	C[6a](P[6,6]C[3x6]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]P[6,6]C[6a])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](P[6,6]C[3x6]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,2|H<1>,2|O<2>,4|C<4>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|P<3>}	117.4920	0.000	1	117.1307	0.118	3	117.1307	0.118	3	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	P[6,6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]P[6,6]C[6a])(C[6a]C[6a]H)	C[6a](P[6,6]C[3x6]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]P[6,6]C[6a])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](P[6,6]C[3x6]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|Si<4>,1|C<3>,1|H<1>,2|O<2>,4|C<4>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|Si<4>,1|C<3>,1|P<3>}	117.0900	0.000	1	117.1307	0.118	3	117.1307	0.118	3	117.3762	1.298	2015	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:2:	C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-2:	N[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N[6a])(N[6a]C[6a])	C[6a](C[6a]C[5,6a]C[6a])(N[6a]C[6a])(CN)	N[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|N<2>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N[6a])(N[6a]C[6a]){1|C<2>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[5,6a]C[6a])(N[6a]C[6a])(CN){1|C<4>,4|C<3>}	118.5750	0.000	1	118.5750	0.000	1	118.5750	0.000	1	117.4624	1.009	172	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:2:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-2:	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[5a]N[6a])(N[6a]C[6a])	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CN)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C){1|C<2>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[5a]N[6a])(N[6a]C[6a]){1|C<2>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CN){2|C<3>}	118.4920	0.290	4	118.4920	0.084	4	118.5735	0.066	6	117.4624	1.009	172	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:2:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-2:	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C)	C[6a](C[5a]C[5a]S[5a])(C[6a]C[5a]N[6a])(N[6a]C[6a])	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CN)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C){1|C<2>,1|N<2>,1|S<2>,2|C<3>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[5a]N[6a])(N[6a]C[6a]){1|C<2>,1|H<1>,1|S<2>,4|C<3>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CN){2|C<3>}	118.7365	0.012	2	118.7365	0.000	2	118.5735	0.066	6	117.4624	1.009	172	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:2:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]N[6a])	C[6a](C[5a]C[5a]O[5a])(C[6a]C[5a]N[6a])(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(N[6a]N[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]N[6a]){1|O<2>,2|N<2>,3|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[5a]N[6a])(N[6a]C[6a]){1|H<1>,1|N<2>,1|O<2>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(N[6a]N[6a]){1|H<1>,4|C<3>}	116.5030	0.000	1	116.5030	0.000	1	116.5030	0.000	1	117.4624	1.009	172	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:2:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:O-2:	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)(N[6a]C[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O){2|C<2>,3|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)(N[6a]C[6a]){1|H<1>,1|N<3>,1|O<2>,4|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC){3|C<3>}	119.6060	0.000	1	119.6060	0.000	1	118.2515	3.669	2	117.4624	1.009	172	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:2:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:O-2:	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	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>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|H<1>,2|C<3>}	116.8970	0.000	1	116.8970	0.000	1	118.2515	3.669	2	117.4624	1.009	172	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:2:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	N[5]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a]C[5a]C[6a])(C[6a]N[6a]N[5])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[5]C[5]N[5])(N[6a]C[6a])2	N[6a](C[6a]C[5a]C[6a])(C[6a]N[6a]N[5]){1|C<4>,1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](N[5]C[5]N[5])(N[6a]C[6a])2{1|H<1>,2|C<4>,4|C<3>}	116.6100	0.000	1	116.6100	0.000	1	116.6100	0.000	1	117.4624	1.009	172	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:2:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	N[6a]-3:N[6a]-2:S-2:	N[6a](C[6a]C[5a]C[6a])(C[6a]N[6a]S)	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]C)(N[6a]C[6a])	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(SC)	N[6a](C[6a]C[5a]C[6a])(C[6a]N[6a]S){1|C<2>,1|H<1>,1|S<2>,2|C<3>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]C)(N[6a]C[6a]){1|H<1>,1|N<3>,1|O<1>,1|S<2>,2|C<3>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(SC){1|O<1>,2|C<3>}	117.8200	0.000	1	117.8200	0.000	1	117.8200	0.000	1	117.4624	1.009	172	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:2:	C[6a]-3:C[6a]-3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-2:	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CW)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CW){1|H<1>,2|C<3>}	118.4305	1.206	2	118.4305	1.454	2	118.4305	1.454	2	117.4624	1.009	172	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:2:	C[6a]-3:C[6a]-3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:S-2:	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]S)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SS)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]S){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|S<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SS){1|H<1>,2|C<3>}	117.7855	0.153	2	117.7855	0.024	2	117.7855	0.024	2	117.4624	1.009	172	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-2:	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(N[6a]C[6a])	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a])(CN)	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|N<2>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(N[6a]C[6a]){1|C<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a])(CN){5|C<3>}	117.7450	0.000	1	117.7450	0.000	1	117.7450	0.000	1	117.4624	1.009	172	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(N[6a]C[6a])	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a]){1|N<2>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(N[6a]C[6a]){1|H<1>,5|C<3>}	117.8070	0.000	1	117.8070	0.000	1	117.8070	0.000	1	117.4624	1.009	172	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:O-2:	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]){2|H<1>,2|O<2>,5|C<3>}	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(OC){3|C<3>}	118.2830	0.000	1	118.2830	0.000	1	118.5590	0.152	2	117.4624	1.009	172	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:O-2:	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(N[6a]C[6a])	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(N[6a]C[6a]){1|H<1>,1|O<2>,6|C<3>}	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(OC){3|C<3>}	118.8350	0.000	1	118.8350	0.000	1	118.5590	0.152	2	117.4624	1.009	172	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-2:	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6]C[6]N[6])(N[6a]C[6a])	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CN)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C){1|C<2>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6]C[6]N[6])(N[6a]C[6a]){1|C<2>,1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CN){2|C<3>}	116.8120	0.109	2	116.8120	0.012	2	116.8120	0.012	2	117.4624	1.009	172	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:O-2:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2){1|C<4>,4|C<3>}	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]2)(N[6a]C[6a]){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(OC){1|H<1>,4|C<3>}	119.0860	0.000	1	118.9970	0.046	3	118.9342	0.047	4	117.4624	1.009	172	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:O-2:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2){5|C<3>}	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]2)(N[6a]C[6a]){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(OC){1|H<1>,4|C<3>}	118.9525	0.284	2	118.9970	0.046	3	118.9342	0.047	4	117.4624	1.009	172	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:O-2:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a]){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(OC){1|H<1>,4|C<3>}	118.7460	0.000	1	118.7460	0.000	1	118.9342	0.047	4	117.4624	1.009	172	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:S-2:	N[6a](C[6a]C[6a,6a]S)(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(SC)	N[6a](C[6a]C[6a,6a]S)(C[6a]C[6a]2){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,1|S<2>,2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(SC){1|H<1>,1|N<2>,3|C<3>}	118.8300	0.000	1	118.5974	0.405	7	118.5974	0.405	7	117.4624	1.009	172	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:S-2:	N[6a](C[6a]C[6a,6a]S)(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(SC)	N[6a](C[6a]C[6a,6a]S)(C[6a]C[6a]2){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a]){1|S<2>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(SC){1|H<1>,4|C<3>}	118.5587	0.688	6	118.5974	0.405	7	118.5974	0.405	7	117.4624	1.009	172	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:Se-2:	N[6a](C[6a]C[6a,6a]Se)(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(SeSe)	N[6a](C[6a]C[6a,6a]Se)(C[6a]C[6a]2){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a]){1|Se<2>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(SeSe){1|H<1>,4|C<3>}	119.0230	0.000	1	119.0230	0.000	1	119.0230	0.000	1	117.4624	1.009	172	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-2:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<2>,1|F<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN){1|H<1>,2|C<3>}	116.4190	0.089	2	116.4190	0.008	2	117.3944	0.596	40	117.4624	1.009	172	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-2:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]2)2(N[6a]C[6a])	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(CN)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){5|C<3>}	C[6a](C[6a]C[6a]2)2(N[6a]C[6a]){1|C<2>,1|N<3>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(CN){1|N<3>,4|C<3>}	115.9410	0.000	1	115.9410	0.000	1	117.3944	0.596	40	117.4624	1.009	172	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-2:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(CN)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|N<2>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|C<2>,1|H<1>,1|N<3>,5|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(CN){1|N<3>,4|C<3>}	115.7400	0.000	1	115.7400	0.000	1	117.3944	0.596	40	117.4624	1.009	172	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-2:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CN)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|C<2>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|C<2>,2|H<1>,5|C<3>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CN){2|C<3>}	117.7059	0.318	8	117.7059	0.101	8	117.3944	0.596	40	117.4624	1.009	172	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-2:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(N[6a]C[6a]){1|C<2>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN){1|H<1>,2|C<3>}	117.1715	0.152	2	117.1715	0.023	2	117.3944	0.596	40	117.4624	1.009	172	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-2:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC){1|H<1>,2|C<3>}	117.2913	0.346	9	117.2913	0.119	9	117.3944	0.596	40	117.4624	1.009	172	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-2:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN){1|H<1>,2|C<3>}	116.5795	0.043	2	116.5795	0.002	2	117.3944	0.596	40	117.4624	1.009	172	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-2:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CW)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CW){1|H<1>,2|C<3>}	118.2438	0.863	5	118.2438	0.744	5	117.3944	0.596	40	117.4624	1.009	172	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-2:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C[6])(N[6a]C[6a])	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CN)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|C<2>,2|C<3>,2|N<2>}	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C[6])(N[6a]C[6a]){1|C<2>,1|H<1>,1|N<3>,4|C<3>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CN){2|C<3>}	116.5590	1.575	2	116.5590	2.482	2	117.3944	0.596	40	117.4624	1.009	172	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-2:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])2(N[6a]C[6a])	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CN)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|C<2>,2|C<3>,2|N<2>}	C[6a](C[6a]C[6a]N[6a])2(N[6a]C[6a]){1|C<2>,1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CN){2|C<3>}	117.7685	0.364	8	117.7685	0.133	8	117.3944	0.596	40	117.4624	1.009	172	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2){1|H<1>,5|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{2|H<1>,5|C<3>}	116.0300	0.000	1	116.0300	0.000	1	117.0004	0.297	41	117.4624	1.009	172	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2){1|C<4>,5|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	116.7460	0.000	1	116.8560	0.680	4	117.0004	0.297	41	117.4624	1.009	172	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2){1|C<4>,5|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{1|N<3>,2|H<1>,4|C<3>}	116.7170	0.000	1	116.8560	0.680	4	117.0004	0.297	41	117.4624	1.009	172	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2){1|C<4>,5|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){2|H<1>,2|N<2>,3|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{1|N<2>,2|H<1>,4|C<3>}	116.9805	1.406	2	116.8560	0.680	4	117.0004	0.297	41	117.4624	1.009	172	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2){1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{2|H<1>,5|C<3>}	117.0077	0.430	14	117.1376	0.289	16	117.0004	0.297	41	117.4624	1.009	172	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2){1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{1|C<2>,2|H<1>,4|C<3>}	118.0470	0.181	2	117.1376	0.289	16	117.0004	0.297	41	117.4624	1.009	172	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2){1|N<3>,5|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{2|H<1>,5|C<3>}	117.2870	0.105	4	117.2870	0.011	4	117.0004	0.297	41	117.4624	1.009	172	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(N[6a]N[6a])	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2){1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(N[6a]C[6a]){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(N[6a]N[6a]){2|H<1>,4|C<3>}	117.1690	0.000	1	117.1690	0.000	1	117.0004	0.297	41	117.4624	1.009	172	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)2(N[6a]C[6a])	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2){6|C<3>}	C[6a](C[6a]C[6a]2)2(N[6a]C[6a]){1|N<2>,1|N<3>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{1|N<3>,2|H<1>,4|C<3>}	116.2870	0.000	1	117.0327	0.478	3	117.0004	0.297	41	117.4624	1.009	172	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)2(N[6a]C[6a])	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2){6|C<3>}	C[6a](C[6a]C[6a]2)2(N[6a]C[6a]){1|N<2>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{2|H<1>,5|C<3>}	117.4055	0.349	2	117.0327	0.478	3	117.0004	0.297	41	117.4624	1.009	172	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(N[6a]N[6a])	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2){1|N<2>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(N[6a]N[6a]){1|H<1>,1|N<3>,4|C<3>}	117.4680	0.000	1	116.8903	0.336	3	117.0004	0.297	41	117.4624	1.009	172	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(N[6a]N[6a])	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2){1|N<2>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(N[6a]N[6a]){1|N<2>,2|H<1>,3|C<3>}	116.3090	0.000	1	116.8903	0.336	3	117.0004	0.297	41	117.4624	1.009	172	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(N[6a]N[6a])	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2){1|N<2>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(N[6a]N[6a]){2|H<1>,4|C<3>}	116.8940	0.000	1	116.8903	0.336	3	117.0004	0.297	41	117.4624	1.009	172	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(N[6a]N[6a])	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2){2|N<2>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(N[6a]N[6a]){1|H<1>,1|N<2>,3|C<3>}	116.1130	0.000	1	116.5610	0.099	4	117.0004	0.297	41	117.4624	1.009	172	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(N[6a]N[6a])	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2){2|N<2>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(N[6a]N[6a]){1|H<1>,4|C<3>}	116.7103	0.124	3	116.5610	0.099	4	117.0004	0.297	41	117.4624	1.009	172	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2){1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{2|H<1>,5|C<3>}	116.7520	0.521	3	116.7520	0.271	3	117.0004	0.297	41	117.4624	1.009	172	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2){1|Si<4>,5|C<3>}	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]2)(N[6a]C[6a]){1|C<2>,1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{1|C<2>,2|H<1>,4|C<3>}	117.3870	0.124	2	117.3870	0.015	2	117.0004	0.297	41	117.4624	1.009	172	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:O-2:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O){1|C<2>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC){1|C<4>,2|C<3>}	117.9285	0.436	4	117.9046	0.179	14	117.7667	0.226	35	117.4624	1.009	172	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:O-2:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O){1|C<2>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC){3|C<3>}	117.8950	0.441	10	117.9046	0.179	14	117.7667	0.226	35	117.4624	1.009	172	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:O-2:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){3|C<3>}	117.5075	0.220	2	117.9030	0.139	6	117.7667	0.226	35	117.4624	1.009	172	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:O-2:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|H<1>,2|C<3>}	118.1008	0.243	4	117.9030	0.139	6	117.7667	0.226	35	117.4624	1.009	172	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:O-2:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|C<3>,2|H<1>,2|O<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC[6a]){1|H<1>,2|C<3>}	118.4640	0.000	1	117.9790	0.470	2	117.7667	0.226	35	117.4624	1.009	172	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:O-2:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC[6a]){3|C<3>}	117.4940	0.000	1	117.9790	0.470	2	117.7667	0.226	35	117.4624	1.009	172	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:O-2:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(N[6a]C[6a]){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|H<1>,2|C<3>}	118.5460	0.000	1	118.5460	0.000	1	117.7667	0.226	35	117.4624	1.009	172	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:O-2:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O){1|C<2>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC){3|C<3>}	117.3403	0.173	3	117.3403	0.030	3	117.7667	0.226	35	117.4624	1.009	172	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:O-2:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|H<1>,2|C<3>}	117.3300	0.653	2	117.3300	0.427	2	117.7667	0.226	35	117.4624	1.009	172	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:O-2:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC[5,6])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC[5,6]){1|H<1>,2|C<3>}	117.5948	0.431	6	117.5948	0.186	6	117.7667	0.226	35	117.4624	1.009	172	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:O-2:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC[6a]){3|C<3>}	116.9970	0.000	1	116.9970	0.000	1	117.7667	0.226	35	117.4624	1.009	172	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:O[6a]-2:	N[6a](C[6a]C[6a]O[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(O[6a]C[6a])	N[6a](C[6a]C[6a]O[6a])(C[6a]C[6a]2){1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(O[6a]C[6a]){1|O<1>,2|H<1>,4|C<3>}	118.1140	0.000	1	117.7447	0.125	3	117.7447	0.125	3	117.4624	1.009	172	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:O[6a]-2:	N[6a](C[6a]C[6a]O[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(O[6a]C[6a])	N[6a](C[6a]C[6a]O[6a])(C[6a]C[6a]2){1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(O[6a]C[6a]){1|Cl<1>,1|H<1>,1|O<1>,4|C<3>}	117.4090	0.000	1	117.7447	0.125	3	117.7447	0.125	3	117.4624	1.009	172	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:O[6a]-2:	N[6a](C[6a]C[6a]O[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(O[6a]C[6a])	N[6a](C[6a]C[6a]O[6a])(C[6a]C[6a]2){1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(O[6a]C[6a]){1|O<1>,2|H<1>,4|C<3>}	117.7110	0.000	1	117.7447	0.125	3	117.7447	0.125	3	117.4624	1.009	172	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:S-2:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SC[6])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]S){1|C<2>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|S<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SC[6]){3|C<3>}	118.4310	0.000	1	118.4310	0.000	1	118.0539	0.141	7	117.4624	1.009	172	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:S-2:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]2)2(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SC)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]S){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]2)2(N[6a]C[6a]){1|S<2>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SC){3|C<3>}	118.5910	0.000	1	118.5910	0.000	1	118.0539	0.141	7	117.4624	1.009	172	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:S-2:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SC)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]S){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|S<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SC){1|H<1>,2|C<3>}	118.0190	0.000	1	118.0190	0.000	1	118.0539	0.141	7	117.4624	1.009	172	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:S-2:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SS)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]S){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|S<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SS){1|H<1>,2|C<3>}	117.8340	0.270	4	117.8340	0.073	4	118.0539	0.141	7	117.4624	1.009	172	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	N[5]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a]N[6a]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[5]C[5]N[5])(N[6a]C[6a])2	N[6a](C[6a]N[6a]N[5])(C[6a]C[6a]2){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6a](N[5]C[5]N[5])(N[6a]C[6a])2{1|C<4>,1|H<1>,5|C<3>}	115.7782	0.327	4	115.7782	0.107	4	115.7782	0.107	4	117.4624	1.009	172	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	N[5a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[5a]C[5a,6a]2)(N[6a]C[6a])2	N[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]2){1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6a](N[5a]C[5a,6a]2)(N[6a]C[6a])2{7|C<3>}	116.1590	0.287	5	116.1590	0.083	5	116.1590	0.083	5	117.4624	1.009	172	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:O-2:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)	C[6a](C[6a]N[6a]2)(N[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(OH)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O){1|C<3>,1|H<1>,1|O<2>,2|N<2>}	C[6a](C[6a]N[6a]2)(N[6a]C[6a]H)(N[6a]C[6a]){1|O<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(OH){1|C<3>,1|N<3>,1|O<1>}	116.8345	0.190	2	116.8345	0.036	2	116.8345	0.036	2	117.4624	1.009	172	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:2:	C[6a]-3:C[6a]-3:	N[5a]-3:N[6a]-3:N[6a]-2:	N[5a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a]N[5a]N[6a])2	C[6a](N[5a]C[5a]N[5a])(N[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[5a]C[5a]N[5a])(N[6a]C[6a])2	N[6a](C[6a]N[5a]N[6a])2{1|H<1>,2|N<2>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(N[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,1|O<1>,2|C<3>,2|N<3>}	C[6a](N[5a]C[5a]N[5a])(N[6a]C[6a])2{1|O<1>,2|C<3>,3|N<3>}	110.6090	0.000	1	110.6090	0.000	1	110.6090	0.000	1	117.4624	1.009	172	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:3:	C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-3:	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]O)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]O){1|H<1>,2|C<3>}	116.0900	0.000	1	116.0900	0.000	1	116.5990	0.518	2	118.4968	1.788	141	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:3:	C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-3:	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]P)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]P){1|H<1>,2|C<3>}	117.1080	0.000	1	117.1080	0.000	1	116.5990	0.518	2	118.4968	1.788	141	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:3:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-3:	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C)	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHO)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C){1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHO){1|H<1>,2|C<3>}	117.4800	0.000	1	117.4800	0.000	1	117.5778	0.167	6	118.4968	1.788	141	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:3:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-3:	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	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>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN){1|H<1>,2|C<3>}	118.0140	0.042	2	118.0140	0.002	2	117.5778	0.167	6	118.4968	1.788	141	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:3:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-3:	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	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>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|H<1>,2|C<3>}	117.3197	0.347	3	117.3197	0.121	3	117.5778	0.167	6	118.4968	1.788	141	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:3:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C[5]-3:	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C[5])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C[5]){1|C<3>,1|N<3>,2|H<1>,3|N<2>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2){1|H<1>,4|C<3>}	118.1160	0.000	1	118.1160	0.000	1	118.1160	0.000	1	118.4968	1.788	141	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:3:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]N)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]N){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<3>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|H<1>,2|C<3>}	117.9808	0.351	6	117.9808	0.123	6	117.8750	0.142	8	118.4968	1.788	141	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:3:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]N)	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHS)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]N){1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHS){1|H<1>,2|C<3>}	117.5575	0.326	2	117.5575	0.106	2	117.8750	0.142	8	118.4968	1.788	141	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:3:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:P-3:	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]P)	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PC[6a]2)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]P){1|N<2>,2|C<3>,2|H<1>}	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>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PC[6a]2){1|H<1>,2|C<3>}	118.5080	0.000	1	118.5080	0.000	1	118.9920	0.469	2	118.4968	1.788	141	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:3:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:P-3:	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]P)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PCC)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]P){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|Ga<3>,1|P<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PCC){1|H<1>,2|C<3>}	119.4760	0.000	1	119.4760	0.000	1	118.9920	0.469	2	118.4968	1.788	141	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:3:	C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-3:	N[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6,6a]H)(N[6a]C[6a])(COO)	N[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]C){1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]2)(N[6a]C[6a]){1|C<4>,1|H<1>,1|O<2>,6|C<3>}	C[6a](C[6a]C[6,6a]H)(N[6a]C[6a])(COO){1|C<4>,2|C<3>}	118.7700	0.000	1	118.7700	0.000	1	119.0163	0.048	3	118.4968	1.788	141	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:3:	C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-3:	N[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]N[6a])(N[6a]C[6a])	C[6a](C[6a]C[6,6a]H)(N[6a]C[6a])(CHN)	N[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]N[6a])(N[6a]C[6a]){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6a](C[6a]C[6,6a]H)(N[6a]C[6a])(CHN){1|O<2>,2|C<3>}	119.1395	0.064	2	119.1395	0.004	2	119.0163	0.048	3	118.4968	1.788	141	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:3:	C[6a]-3:C[6a]-3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-3:	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO){1|H<1>,2|C<3>}	116.6650	0.000	1	116.6650	0.000	1	117.2467	0.260	3	118.4968	1.788	141	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:3:	C[6a]-3:C[6a]-3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-3:	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)	C[6a](C[6]C[6]N[6])(C[6a]N[6a]C)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C){1|N<2>,1|N<3>,3|C<3>}	C[6a](C[6]C[6]N[6])(C[6a]N[6a]C)(N[6a]C[6a]){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(COO){1|N<2>,3|C<3>}	117.4600	0.000	1	117.4600	0.000	1	117.2467	0.260	3	118.4968	1.788	141	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:3:	C[6a]-3:C[6a]-3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-3:	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)	C[6a](C[6]C[6]N[6])(C[6a]N[6a]C)(N[6a]C[6a])	C[6a](C[6a]N[6a]C[6])(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C){1|N<2>,1|N<3>,3|C<3>}	C[6a](C[6]C[6]N[6])(C[6a]N[6a]C)(N[6a]C[6a]){2|H<1>,4|C<3>}	C[6a](C[6a]N[6a]C[6])(N[6a]C[6a])(COO){1|N<3>,3|C<3>}	117.6150	0.000	1	117.6150	0.000	1	117.2467	0.260	3	118.4968	1.788	141	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:3:	C[6a]-3:C[6a]-3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:P-3:	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]P)	C[6a](C[6]N[5,6]C[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PC[6a]2)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]P){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6]N[5,6]C[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|Ga<4>,1|P<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PC[6a]2){1|H<1>,2|C<3>}	120.4005	2.252	2	120.4005	5.072	2	120.4005	5.072	2	118.4968	1.788	141	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-3:	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C){5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]){3|H<1>,6|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a])(COO){5|C<3>}	118.5920	0.000	1	118.5920	0.000	1	119.1960	0.730	2	118.4968	1.788	141	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-3:	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(CCO)	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]){3|H<1>,6|C<3>}	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(CCO){3|C<3>}	119.8000	0.000	1	119.8000	0.000	1	119.1960	0.730	2	118.4968	1.788	141	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-3:	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)	C[6a](C[6a]N[6a]C[6])(C[6]C[6]N[6])(N[6a]C[6a])	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C){1|N<2>,1|N<3>,3|C<3>}	C[6a](C[6a]N[6a]C[6])(C[6]C[6]N[6])(N[6a]C[6a]){1|N<3>,2|H<1>,5|C<3>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(COO){2|C<3>}	120.5160	0.000	1	120.5160	0.000	1	120.5160	0.000	1	118.4968	1.788	141	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[5a,6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a])(NC[6a]2)	N[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]2){1|S<2>,4|C<3>}	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|N<3>,2|H<1>,6|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a])(NC[6a]2){4|C<3>}	119.7400	0.000	1	119.7400	0.000	1	119.7400	0.000	1	118.4968	1.788	141	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NC[6a]2)	N[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]2){5|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|N<3>,2|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NC[6a]2){1|H<1>,4|C<3>}	120.9150	0.761	3	120.9150	0.579	3	119.9830	1.402	6	118.4968	1.788	141	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]2){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NCH){1|H<1>,4|C<3>}	118.4180	0.000	1	118.4180	0.000	1	119.9830	1.402	6	118.4968	1.788	141	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NHN)	N[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]2){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NHN){1|H<1>,4|C<3>}	119.3675	0.206	2	119.3675	0.042	2	119.9830	1.402	6	118.4968	1.788	141	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:B[5]-3:	N[6a](C[6a]C[6a]B[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(B[5]O[5]2)	N[6a](C[6a]C[6a]B[5])(C[6a]C[6a]2){1|N<2>,2|C<3>,2|H<1>,2|O<2>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|B<3>,1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(B[5]O[5]2){2|C<3>,3|C<4>}	117.2830	0.000	1	117.2830	0.000	1	117.2830	0.000	1	118.4968	1.788	141	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-3:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHO)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHO){1|H<1>,2|C<3>}	118.2010	0.362	2	118.2010	0.131	2	118.7860	1.917	46	118.4968	1.788	141	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-3:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCC)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|C<2>,1|C<4>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){1|C<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCC){1|C<2>,2|C<3>}	120.9799	0.808	7	120.9799	0.654	7	118.7860	1.917	46	118.4968	1.788	141	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-3:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|Cl<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,2|N<3>,4|C<3>}	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(COO){1|N<3>,2|C<3>}	117.6190	0.000	1	117.6190	0.000	1	118.7860	1.917	46	118.4968	1.788	141	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-3:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN){1|H<1>,2|C<3>}	120.2780	0.000	1	120.1647	0.014	3	118.7860	1.917	46	118.4968	1.788	141	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-3:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN){1|H<1>,2|C<3>}	120.1080	0.093	2	120.1647	0.014	3	118.7860	1.917	46	118.4968	1.788	141	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-3:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]O)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]O){3|C<3>}	116.9670	0.000	1	117.2455	0.155	2	118.7860	1.917	46	118.4968	1.788	141	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-3:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]O)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]O){1|H<1>,2|C<3>}	117.5240	0.000	1	117.2455	0.155	2	118.7860	1.917	46	118.4968	1.788	141	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-3:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,2|C<4>,4|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN){1|H<1>,2|C<3>}	117.9180	0.000	1	118.8773	0.881	3	118.7860	1.917	46	118.4968	1.788	141	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-3:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN){1|H<1>,2|C<3>}	119.3570	0.618	2	118.8773	0.881	3	118.7860	1.917	46	118.4968	1.788	141	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-3:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|H<1>,2|C<3>}	118.2880	0.000	1	118.2880	0.000	1	118.7860	1.917	46	118.4968	1.788	141	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-3:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,2|C<4>,4|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO){1|H<1>,2|C<3>}	118.7460	0.000	1	118.0892	0.548	5	118.7860	1.917	46	118.4968	1.788	141	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-3:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO){3|C<3>}	117.9250	0.742	4	118.0892	0.548	5	118.7860	1.917	46	118.4968	1.788	141	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-3:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(N[6a]C[6a]){1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO){1|H<1>,2|C<3>}	118.0440	0.000	1	118.0440	0.000	1	118.7860	1.917	46	118.4968	1.788	141	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-3:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCH)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCH){1|H<1>,2|C<3>}	118.4390	0.000	1	118.4390	0.000	1	118.7860	1.917	46	118.4968	1.788	141	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-3:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN){1|H<1>,2|C<3>}	118.4426	0.525	5	118.4426	0.275	5	118.7860	1.917	46	118.4968	1.788	141	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-3:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCO)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCO){1|H<1>,2|C<3>}	117.9270	0.000	1	117.9270	0.000	1	118.7860	1.917	46	118.4968	1.788	141	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-3:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN){1|H<1>,2|C<3>}	117.8925	0.088	2	117.8925	0.008	2	118.7860	1.917	46	118.4968	1.788	141	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-3:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|H<1>,2|C<3>}	118.5565	2.961	2	118.5565	8.765	2	118.7860	1.917	46	118.4968	1.788	141	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-3:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO){3|C<3>}	117.6380	0.000	1	117.5330	0.022	2	118.7860	1.917	46	118.4968	1.788	141	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-3:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO){1|H<1>,2|C<3>}	117.4280	0.000	1	117.5330	0.022	2	118.7860	1.917	46	118.4968	1.788	141	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-3:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(CCH)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){2|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C)(N[6a]C[6a]){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(CCH){1|N<2>,3|C<3>}	118.9540	0.000	1	118.9540	0.000	1	118.7860	1.917	46	118.4968	1.788	141	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-3:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){2|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C)(N[6a]C[6a]){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(COO){1|N<2>,3|C<3>}	117.9760	0.000	1	117.9760	0.000	1	118.7860	1.917	46	118.4968	1.788	141	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-3:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C)(N[6a]C[6a])	C[6a](C[6a]N[6a]C[6])(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){2|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C)(N[6a]C[6a]){1|H<1>,4|C<3>}	C[6a](C[6a]N[6a]C[6])(N[6a]C[6a])(COO){1|N<3>,3|C<3>}	118.1710	0.000	1	118.1710	0.000	1	118.7860	1.917	46	118.4968	1.788	141	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-3:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])2(N[6a]C[6a])	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){2|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])2(N[6a]C[6a]){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(COO){2|C<3>}	118.6478	1.680	5	118.6478	2.822	5	118.7860	1.917	46	118.4968	1.788	141	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C[6]-3:	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]C[6]2)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]C[6]2){2|H<1>,5|C<3>}	116.9467	0.335	3	116.9467	0.113	3	116.9467	0.113	3	118.4968	1.788	141	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N){1|C<2>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<3>,5|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH){3|C<3>}	118.2952	0.195	4	118.2952	0.038	4	118.6556	1.249	36	118.4968	1.788	141	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCC)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N){1|C<2>,1|C<4>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){1|C<2>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCC){1|C<2>,2|C<3>}	121.3560	0.000	1	121.3560	0.000	1	118.6556	1.249	36	118.4968	1.788	141	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCS)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N){2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCS){1|N<3>,2|C<3>}	118.6320	0.000	1	118.6320	0.000	1	118.6556	1.249	36	118.4968	1.788	141	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N){1|C<2>,1|C<4>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH){3|C<3>}	118.9360	0.000	1	118.9360	0.000	1	118.6556	1.249	36	118.4968	1.788	141	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCS)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCS){1|C<4>,2|C<3>}	116.7960	0.000	1	116.7960	0.000	1	118.6556	1.249	36	118.4968	1.788	141	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCC)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N){1|C<2>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<2>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCC){1|C<2>,2|C<3>}	121.5170	0.000	1	120.2975	2.974	2	118.6556	1.249	36	118.4968	1.788	141	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCC)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCC){3|C<3>}	119.0780	0.000	1	120.2975	2.974	2	118.6556	1.249	36	118.4968	1.788	141	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H){3|C<3>}	118.0990	0.000	1	118.0990	0.000	1	118.6556	1.249	36	118.4968	1.788	141	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N){1|C<2>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH){3|C<3>}	119.1140	0.000	1	118.9005	0.041	4	118.6556	1.249	36	118.4968	1.788	141	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH){3|C<3>}	118.7060	0.000	1	118.9005	0.041	4	118.6556	1.249	36	118.4968	1.788	141	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH){1|H<1>,2|C<3>}	118.8910	0.195	2	118.9005	0.041	4	118.6556	1.249	36	118.4968	1.788	141	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|H<1>,2|C<3>}	118.3370	0.000	1	118.1258	0.130	4	118.6556	1.249	36	118.4968	1.788	141	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,1|O<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|H<1>,2|C<3>}	118.2750	0.202	2	118.1258	0.130	4	118.6556	1.249	36	118.4968	1.788	141	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){3|C<3>}	117.6160	0.000	1	118.1258	0.130	4	118.6556	1.249	36	118.4968	1.788	141	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCN)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCN){1|H<1>,2|C<3>}	117.3950	0.000	1	117.3950	0.000	1	118.6556	1.249	36	118.4968	1.788	141	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCS)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCS){1|N<3>,2|C<3>}	118.3140	0.000	1	118.3140	0.000	1	118.6556	1.249	36	118.4968	1.788	141	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H){1|H<1>,2|C<3>}	117.8858	0.353	5	117.8858	0.125	5	118.6556	1.249	36	118.4968	1.788	141	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH){3|C<3>}	119.6410	0.000	1	119.6410	0.000	1	118.6556	1.249	36	118.4968	1.788	141	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCC)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N){1|N<2>,4|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCC){1|H<1>,2|C<3>}	120.0410	0.000	1	120.0410	0.000	1	118.6556	1.249	36	118.4968	1.788	141	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N){1|N<2>,4|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH){1|H<1>,2|C<3>}	119.9910	0.000	1	119.9910	0.000	1	118.6556	1.249	36	118.4968	1.788	141	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N){1|C<2>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH){1|H<1>,2|C<3>}	119.6510	0.000	1	119.5477	0.011	3	118.6556	1.249	36	118.4968	1.788	141	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N){1|N<2>,4|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH){1|H<1>,2|C<3>}	119.4960	0.079	2	119.5477	0.011	3	118.6556	1.249	36	118.4968	1.788	141	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]2)2(N[6a]C[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N){5|C<3>}	C[6a](C[6a]C[6a]2)2(N[6a]C[6a]){1|N<2>,1|O<2>,2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH){1|H<1>,2|C<3>}	120.4760	0.000	1	120.4760	0.000	1	118.6556	1.249	36	118.4968	1.788	141	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]2)2(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]2)2(N[6a]C[6a]){1|N<3>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H){3|C<3>}	117.9490	0.000	1	117.9490	0.000	1	118.6556	1.249	36	118.4968	1.788	141	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NNiC)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NNiC){1|H<1>,2|C<3>}	117.3380	0.000	1	117.3380	0.000	1	118.6556	1.249	36	118.4968	1.788	141	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NOO)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NOO){1|H<1>,2|C<3>}	116.6840	0.000	1	116.6840	0.000	1	118.6556	1.249	36	118.4968	1.788	141	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:N[5]-3:	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[5]C[5]2)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]2){1|C<2>,1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[5]C[5]2){2|C<4>,3|C<3>,4|H<1>}	119.8060	0.287	3	119.8060	0.082	3	118.5997	1.510	7	118.4968	1.788	141	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:N[5]-3:	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]2){1|C<2>,1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2){1|N<3>,2|H<1>,3|C<3>}	117.7725	0.243	2	117.6950	0.419	4	118.5997	1.510	7	118.4968	1.788	141	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:N[5]-3:	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]2){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2){2|C<3>,2|C<4>,5|H<1>}	118.3840	0.000	1	117.6950	0.419	4	118.5997	1.510	7	118.4968	1.788	141	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:N[5]-3:	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]2){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2){1|N<3>,3|C<3>,3|H<1>}	116.8510	0.000	1	117.6950	0.419	4	118.5997	1.510	7	118.4968	1.788	141	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:N[6]-3:	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]Ir)(N[6a]C[6a])(N[6]C[6]2)	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]2){1|Ir<6>,1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]Ir)(N[6a]C[6a])(N[6]C[6]2){1|C<4>,5|C<3>}	117.4910	0.000	1	117.4910	0.000	1	118.1860	0.966	2	118.4968	1.788	141	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:N[6]-3:	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[6]C[6]2)	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]2){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[6]C[6]2){2|C<3>,2|C<4>,5|H<1>}	118.8810	0.000	1	118.8810	0.000	1	118.1860	0.966	2	118.4968	1.788	141	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|O<1>,2|C<3>,2|H<1>,2|N<3>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH){1|O<1>,2|C<3>}	116.5880	0.000	1	116.5880	0.000	1	116.5880	0.000	1	118.4968	1.788	141	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[5a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:N[5]-3:	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]N[5])	C[6a](C[6a]C[6a]H)(N[5a]C[5a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2)	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]N[5]){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)(N[5a]C[5a]2)(N[6a]C[6a]){1|C<3>,1|N<3>,2|N<2>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2){1|C<3>,1|N<2>,2|N<3>,3|H<1>}	115.7720	0.000	1	115.7720	0.000	1	115.7720	0.000	1	118.4968	1.788	141	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:3:	C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]N)	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]N){2|H<1>,3|C<3>}	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H){1|C<3>,1|H<1>,1|N<3>}	116.4690	0.000	1	116.4690	0.000	1	116.4690	0.000	1	118.4968	1.788	141	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:3:	C[6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-3:	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(COO){1|C<3>,1|H<1>,1|N<3>}	118.1770	0.836	2	118.1770	0.699	2	117.6553	1.166	3	118.4968	1.788	141	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:3:	C[6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-3:	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN)	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C){1|N<2>,2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN){1|C<3>,1|H<1>,1|N<3>}	116.6120	0.000	1	116.6120	0.000	1	117.6553	1.166	3	118.4968	1.788	141	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:3:	C[6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]N)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]2)	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]N){1|N<2>,2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]2){1|C<3>,1|H<1>,1|N<3>}	117.1275	0.125	2	117.1275	0.016	2	117.1275	0.016	2	118.4968	1.788	141	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:3:	C[6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:N[5]-3:	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]N[5])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2)	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]N[5]){1|N<2>,2|H<1>,4|C<3>}	C[6a](N[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>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2){2|C<3>,2|N<3>,3|H<1>}	115.6460	0.000	1	115.6460	0.000	1	115.6460	0.000	1	118.4968	1.788	141	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:4:	C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|H<1>,3|C<4>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH){1|H<1>,2|C<3>}	117.8380	0.000	1	117.8380	0.000	1	117.8380	0.000	1	118.5590	0.768	173	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:4:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C){1|N<2>,2|C<3>,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>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|H<1>,2|C<3>}	118.5347	0.431	19	118.5347	0.185	19	118.4679	0.192	22	118.5590	0.768	173	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:4:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C)	C[6a](C[5a]C[5a]S[5a])(C[6a]N[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|S<2>}	C[6a](C[5a]C[5a]S[5a])(C[6a]N[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CH3){2|C<3>}	117.9310	0.000	2	117.9310	0.000	2	118.4679	0.192	22	118.5590	0.768	173	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:4:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C)	C[6a](C[5a]N[5a,6a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	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>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|H<1>,2|C<3>}	118.2720	0.000	1	118.2720	0.000	1	118.4679	0.192	22	118.5590	0.768	173	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:4:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:P-4:	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]P)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PIrCC)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]P){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|Ga<3>,1|P<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PIrCC){1|H<1>,2|C<3>}	120.9805	0.344	2	120.9805	0.119	2	120.9805	0.119	2	118.5590	0.768	173	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:4:	C[6a]-3:C[6a]-3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCCH)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|Pd<4>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCCH){1|H<1>,2|C<3>}	119.1290	1.327	2	119.1290	1.760	2	118.5043	0.308	15	118.5590	0.768	173	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:4:	C[6a]-3:C[6a]-3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<2>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH){1|H<1>,2|C<3>}	118.2310	0.000	1	118.4040	0.060	2	118.5043	0.308	15	118.5590	0.768	173	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:4:	C[6a]-3:C[6a]-3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH){1|H<1>,2|C<3>}	118.5770	0.000	1	118.4040	0.060	2	118.5043	0.308	15	118.5590	0.768	173	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:4:	C[6a]-3:C[6a]-3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|H<1>,2|C<3>}	118.4595	0.348	8	118.4089	0.159	11	118.5043	0.308	15	118.5590	0.768	173	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:4:	C[6a]-3:C[6a]-3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|In<5>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|H<1>,2|C<3>}	118.7620	0.000	1	118.4089	0.159	11	118.5043	0.308	15	118.5590	0.768	173	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:4:	C[6a]-3:C[6a]-3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<4>,2|C<3>}	118.0300	0.557	2	118.4089	0.159	11	118.5043	0.308	15	118.5590	0.768	173	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[5a,6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]2){1|C<4>,4|C<3>}	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]2)(N[6a]C[6a]){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a])(CH3){1|N<3>,4|C<3>}	120.0665	0.590	2	120.0665	0.349	2	120.0665	0.349	2	118.5590	0.768	173	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]2){5|C<3>}	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]2)(N[6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CH3){1|H<1>,4|C<3>}	118.6650	0.000	1	118.6650	0.000	1	119.3372	0.215	5	118.5590	0.768	173	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CCHH)	N[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]2){5|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|C<4>,2|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CCHH){1|H<1>,4|C<3>}	119.4855	0.139	2	119.4855	0.019	2	119.3372	0.215	5	118.5590	0.768	173	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]2){5|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|C<4>,2|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CH3){1|H<1>,4|C<3>}	119.5250	0.522	2	119.5250	0.272	2	119.3372	0.215	5	118.5590	0.768	173	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|H<1>,2|C<3>}	117.9480	0.000	1	117.9480	0.000	1	118.7186	0.658	90	118.5590	0.768	173	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]HN)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]HN){1|H<1>,2|C<3>}	118.8050	0.000	1	118.8050	0.000	1	118.7186	0.658	90	118.5590	0.768	173	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|C<4>,4|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(CH3){1|H<1>,4|C<3>}	120.3100	0.354	2	120.3100	0.125	2	118.7186	0.658	90	118.5590	0.768	173	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){5|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3){1|C<4>,2|C<3>}	118.6510	0.458	2	118.6510	0.210	2	118.7186	0.658	90	118.5590	0.768	173	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH){3|C<3>}	119.3650	0.000	1	119.3650	0.000	1	118.7186	0.658	90	118.5590	0.768	173	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){1|C<4>,1|S<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|H<1>,2|C<3>}	119.0200	0.691	3	119.0200	0.478	3	118.7186	0.658	90	118.5590	0.768	173	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCHH)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCHH){3|C<3>}	118.3410	0.000	1	118.3410	0.000	1	118.7186	0.658	90	118.5590	0.768	173	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CF3)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CF3){3|C<3>}	118.5980	0.000	1	118.5980	0.000	1	118.7186	0.658	90	118.5590	0.768	173	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|C<2>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3){1|H<1>,2|C<3>}	119.4980	0.000	1	119.1374	0.265	5	118.7186	0.658	90	118.5590	0.768	173	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|C<2>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3){1|C<4>,2|C<3>}	118.6160	0.000	1	119.1374	0.265	5	118.7186	0.658	90	118.5590	0.768	173	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3){3|C<3>}	118.5340	0.000	1	119.1374	0.265	5	118.7186	0.658	90	118.5590	0.768	173	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3){3|C<3>}	119.4810	0.000	1	119.1374	0.265	5	118.7186	0.658	90	118.5590	0.768	173	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3){1|H<1>,2|C<3>}	119.5580	0.000	1	119.1374	0.265	5	118.7186	0.658	90	118.5590	0.768	173	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|F<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(CH3){1|H<1>,2|C<3>}	119.1510	0.000	1	119.1510	0.000	1	118.7186	0.658	90	118.5590	0.768	173	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCCN)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCCN){1|H<1>,2|C<3>}	120.6420	0.000	1	120.6420	0.000	1	118.7186	0.658	90	118.5590	0.768	173	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH){3|C<3>}	118.3060	0.000	1	118.3060	0.000	1	118.7186	0.658	90	118.5590	0.768	173	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]HH)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]HH){3|C<3>}	119.2345	0.090	2	119.2345	0.008	2	118.7186	0.658	90	118.5590	0.768	173	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){3|C<3>}	118.4560	0.000	1	118.4560	0.000	1	118.7186	0.658	90	118.5590	0.768	173	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|H<1>,2|C<3>}	118.1140	0.000	1	119.0902	0.588	6	118.7186	0.658	90	118.5590	0.768	173	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|H<1>,2|C<3>}	119.2854	0.670	5	119.0902	0.588	6	118.7186	0.658	90	118.5590	0.768	173	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHP)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHP){1|H<1>,2|C<3>}	118.5445	0.428	2	118.5445	0.183	2	118.7186	0.658	90	118.5590	0.768	173	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5]HH)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,3|C<3>,3|C<4>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5]HH){1|H<1>,2|C<3>}	117.4130	0.610	2	117.4130	0.372	2	118.7186	0.658	90	118.5590	0.768	173	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[6]HH)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[6]HH){1|H<1>,2|C<3>}	120.3480	0.000	1	120.3480	0.000	1	118.7186	0.658	90	118.5590	0.768	173	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CF3)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CF3){3|C<3>}	117.8580	0.000	1	117.8580	0.000	1	118.7186	0.658	90	118.5590	0.768	173	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]C)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|C<4>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]C)(N[6a]C[6a]){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(CH3){4|C<3>}	118.0970	0.000	1	119.0920	0.449	4	118.7186	0.658	90	118.5590	0.768	173	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]C)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|C<4>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]C)(N[6a]C[6a]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(CH3){4|C<3>}	119.3620	0.000	1	119.0920	0.449	4	118.7186	0.658	90	118.5590	0.768	173	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]C)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|C<4>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]C)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(CH3){4|C<3>}	119.4545	0.144	2	119.0920	0.449	4	118.7186	0.658	90	118.5590	0.768	173	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH){3|C<3>}	117.9660	0.000	1	118.8604	0.672	5	118.7186	0.658	90	118.5590	0.768	173	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH){1|H<1>,2|C<3>}	119.0840	0.750	4	118.8604	0.672	5	118.7186	0.658	90	118.5590	0.768	173	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]2O)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]2O){1|H<1>,2|C<3>}	118.1870	0.269	2	118.1870	0.072	2	118.7186	0.658	90	118.5590	0.768	173	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]CC)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]CC){1|H<1>,2|C<3>}	119.4951	0.320	12	119.4951	0.102	12	118.7186	0.658	90	118.5590	0.768	173	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]HH)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]HH){1|H<1>,2|C<3>}	118.1593	0.642	3	118.1593	0.412	3	118.7186	0.658	90	118.5590	0.768	173	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CClHH)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CClHH){1|H<1>,2|C<3>}	117.8170	0.000	1	117.8170	0.000	1	118.7186	0.658	90	118.5590	0.768	173	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){3|C<3>}	118.2377	0.424	3	118.3642	0.095	8	118.7186	0.658	90	118.5590	0.768	173	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|H<1>,2|C<3>}	118.4402	0.241	5	118.3642	0.095	8	118.7186	0.658	90	118.5590	0.768	173	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|H<1>,2|C<3>}	117.6202	0.599	5	117.6202	0.358	5	118.7186	0.658	90	118.5590	0.768	173	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO){1|H<1>,2|C<3>}	118.3010	0.710	6	118.3010	0.504	6	118.7186	0.658	90	118.5590	0.768	173	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5]HH)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5]HH){1|H<1>,2|C<3>}	118.2404	0.389	5	118.2404	0.151	5	118.7186	0.658	90	118.5590	0.768	173	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]S)(N[6a]C[6a])(CHHN)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]S)(N[6a]C[6a])(CHHN){1|O<2>,2|C<3>}	117.9903	0.158	4	117.9903	0.025	4	118.7186	0.658	90	118.5590	0.768	173	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:P-4:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]P)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PC[6a]2Ru)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]P){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|P<4>,5|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PC[6a]2Ru){1|H<1>,2|C<3>}	118.1240	0.000	1	118.1240	0.000	1	118.2517	0.015	3	118.5590	0.768	173	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:P-4:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]P)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PC[6a]2Re)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]P){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|P<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PC[6a]2Re){1|H<1>,2|C<3>}	118.3155	0.076	2	118.3155	0.006	2	118.2517	0.015	3	118.5590	0.768	173	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	N[5a,6a]-3:N[6a]-2:C-4:	N[6a](C[6a]N[5a,6a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(CH3)	N[6a](C[6a]N[5a,6a]C)(C[6a]C[6a]2){1|H<1>,4|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(CH3){2|N<2>,3|C<3>}	120.5550	0.000	1	120.5550	0.000	1	120.5550	0.000	1	118.5590	0.768	173	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(NC[6a]Ge[4])(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(NC[6a]Ge[4])(N[6a]C[6a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|H<1>,1|N<3>}	118.7085	0.530	2	118.7085	0.281	2	118.7085	0.281	2	118.5590	0.768	173	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:N[6a]-2:	C[6a]-3:N[6a]-2:Si-4:	N[6a](C[6a]C[6a]Si)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C)(NC[6a]C[3])(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SiC3)	N[6a](C[6a]C[6a]Si)(C[6a]C[6a]N){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(NC[6a]C[3])(N[6a]C[6a]){1|Si<4>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SiC3){1|C<3>,1|H<1>,1|N<3>}	119.0990	0.000	1	119.0990	0.000	1	119.0990	0.000	1	118.5590	0.768	173	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[4]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]N[4])(C[6a]C[6a]C)	C[6a](C[6a]C[6a]H)(N[4]As[4]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]N[4])(C[6a]C[6a]C){2|As<3>,1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[4]As[4]2)(N[6a]C[6a]){2|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|H<1>,1|N<3>}	117.2595	0.262	2	117.2595	0.069	2	117.2595	0.069	2	118.5590	0.768	173	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[5a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a]H)(N[5a]C[5a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[5a]C[5a]2)(N[6a]C[6a]){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|H<1>,1|N<3>}	116.9020	0.000	1	116.9020	0.000	1	116.9020	0.000	1	118.5590	0.768	173	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a]2)(N[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3){1|C<3>,1|N<3>,1|O<1>}	117.8030	0.619	2	117.6907	0.230	3	117.4102	0.468	4	118.5590	0.768	173	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a]2)(N[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a]H)(N[6a]C[6a]){1|O<1>,3|C<3>,3|C<4>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3){1|C<3>,1|N<3>,1|O<1>}	117.4660	0.000	1	117.6907	0.230	3	117.4102	0.468	4	118.5590	0.768	173	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(N[6a]C[6a]){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|C<4>,1|N<3>}	116.5690	0.000	1	116.5690	0.000	1	117.4102	0.468	4	118.5590	0.768	173	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:4:	C[6a]-3:C[6a]-3:	N[4]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]N[4])(C[6a]C[6a]C)	C[6a](N[4]C[4,6]Ge[4])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]N[4])(C[6a]C[6a]C){1|Ge<3>,2|C<3>,2|H<1>}	C[6a](N[4]C[4,6]Ge[4])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|H<1>,1|N<3>}	117.7990	0.000	1	117.9780	0.064	2	117.9780	0.064	2	118.5590	0.768	173	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:4:	C[6a]-3:C[6a]-3:	N[4]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]N[4])(C[6a]C[6a]C)	C[6a](N[4]C[4,6]Ge[4])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]N[4])(C[6a]C[6a]C){1|Ge<3>,2|C<3>,2|H<1>}	C[6a](N[4]C[4,6]Ge[4])(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|H<1>,1|N<3>}	118.1570	0.000	1	117.9780	0.064	2	117.9780	0.064	2	118.5590	0.768	173	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:4:	C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C){1|C<4>,2|C<3>,2|H<1>}	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,1|H<1>,1|N<3>}	117.5860	0.000	1	117.5860	0.000	1	117.5860	0.000	1	118.5590	0.768	173	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:4:	C[6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CSn2P)	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C){1|N<2>,2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CSn2P){1|C<3>,1|H<1>,1|N<3>}	117.9710	0.000	1	117.9710	0.000	1	118.0575	0.015	2	118.5590	0.768	173	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:4:	C[6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6])(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(N[6a]C[6a])(CH3){1|H<1>,1|N<3>,3|C<3>}	118.1440	0.000	1	118.1440	0.000	1	118.0575	0.015	2	118.5590	0.768	173	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:4:	C[6a]-3:C[6a]-3:	N[5a]-3:N[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]C)	C[6a](N[5a]C[5a]N[5a])(N[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]C){1|N<2>,2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(N[6a]C[6a]H)(N[6a]C[6a]){1|O<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|O<1>,2|N<3>}	115.6840	0.000	1	115.6840	0.000	1	115.6840	0.000	1	118.5590	0.768	173	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:4:	C[6a]-3:C[6a]-3:	N[6,6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]N[6,6]C[6a])(C[6a]C[6a]C)	C[6a](N[6,6]C[3x6]O[6,6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]N[6,6]C[6a])(C[6a]C[6a]C){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6a](N[6,6]C[3x6]O[6,6])(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|H<1>,1|N<3>}	117.8698	0.195	5	117.8698	0.038	5	117.8698	0.038	5	118.5590	0.768	173	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:4:	C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]C)	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CF3)	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]C){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CF3){1|C<3>,1|H<1>,1|N<3>}	116.0950	0.000	1	116.0950	0.000	1	117.6570	0.948	6	118.5590	0.768	173	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:4:	C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]C)	C[6a](N[6]C[6]P[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]C){1|C<3>,1|C<4>,1|P<4>,2|H<1>}	C[6a](N[6]C[6]P[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|H<1>,1|N<3>}	117.6820	0.000	1	118.0930	0.338	2	117.6570	0.948	6	118.5590	0.768	173	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:4:	C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]C)	C[6a](N[6]C[6]P[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]C){1|C<3>,1|C<4>,1|P<4>,2|H<1>}	C[6a](N[6]C[6]P[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|O<1>,2|C<3>,2|O<2>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|H<1>,1|N<3>}	118.5040	0.000	1	118.0930	0.338	2	117.6570	0.948	6	118.5590	0.768	173	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:4:	C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]C)	C[6a](N[6]P[6,6]C[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]C){1|C<3>,1|C<4>,1|P<4>,2|H<1>}	C[6a](N[6]P[6,6]C[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|O<2>,2|C<3>,2|N<2>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|H<1>,1|N<3>}	118.3085	0.598	2	117.8870	0.711	3	117.6570	0.948	6	118.5590	0.768	173	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:4:	C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]C)	C[6a](N[6]P[6,6]C[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]C){1|C<3>,1|C<4>,1|P<4>,2|H<1>}	C[6a](N[6]P[6,6]C[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|C<3>,2|C<4>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|C<4>,1|N<3>}	117.0440	0.000	1	117.8870	0.711	3	117.6570	0.948	6	118.5590	0.768	173	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:4:	C[6a]-3:C[6a]-3:	N[6a]-3:N[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)(C[6a]N[6a]2)	C[6a](N[6a]C[6a]2)(N[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]2){2|H<1>,3|C<3>}	C[6a](N[6a]C[6a]2)(N[6a]C[6a]H)(N[6a]C[6a]){1|Se<2>,1|C<4>,1|N<2>,2|C<3>,2|O<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH){1|O<1>,2|N<3>}	118.4240	0.327	2	118.4240	0.107	2	118.4240	0.107	2	118.5590	0.768	173	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:4:	C[6a]-3:C[6a]-3:	P[6,6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]P[6,6]C[6a])(C[6a]C[6a]C)	C[6a](P[6,6]C[3x6]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CF3)	N[6a](C[6a]P[6,6]C[6a])(C[6a]C[6a]C){1|C<3>,2|C<4>,2|H<1>}	C[6a](P[6,6]C[3x6]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|H<1>,2|O<2>,5|C<4>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CF3){1|C<3>,1|H<1>,1|P<3>}	117.6120	0.000	1	117.6120	0.000	1	118.1640	0.609	2	118.5590	0.768	173	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:4:	C[6a]-3:C[6a]-3:	P[6,6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]P[6,6]C[6a])(C[6a]C[6a]C)	C[6a](P[6,6]C[3x6]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]P[6,6]C[6a])(C[6a]C[6a]C){1|C<3>,2|C<4>,2|H<1>}	C[6a](P[6,6]C[3x6]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|H<1>,2|O<2>,5|C<4>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|H<1>,1|P<3>}	118.7160	0.000	1	118.7160	0.000	1	118.1640	0.609	2	118.5590	0.768	173	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:2:4:	C[6a]-3:C[6a]-3:	P[6,6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:Si-4:	N[6a](C[6a]P[6,6]C[6a])(C[6a]C[6a]Si)	C[6a](P[6,6]C[3x6]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SiC3)	N[6a](C[6a]P[6,6]C[6a])(C[6a]C[6a]Si){1|C<3>,2|C<4>,2|H<1>}	C[6a](P[6,6]C[3x6]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|Si<4>,1|C<3>,1|H<1>,2|O<2>,4|C<4>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SiC3){1|C<3>,1|H<1>,1|P<3>}	118.8530	0.000	1	118.8530	0.000	1	118.8530	0.000	1	118.5590	0.768	173	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]C[6a])(N[6a]C[6a])	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]2){2|C<4>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]C[6a])(N[6a]C[6a]){2|C<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]2)(N[6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	119.9970	0.000	1	119.9970	0.000	1	120.0222	0.371	5	118.2132	1.760	546	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[5,6a]C[5])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]2){7|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(N[6a]C[6a]){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6a]C[5,6a]C[5])(C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,1|N<3>,2|H<1>,5|C<3>}	119.1700	0.000	1	119.1700	0.000	1	120.0222	0.371	5	118.2132	1.760	546	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[5,6a]C[5a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]2){7|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(N[6a]C[6a]){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6a]C[5,6a]C[5a])(C[6a]C[6a]2)(N[6a]C[6a]){2|H<1>,2|N<3>,5|C<3>}	120.1670	0.000	1	120.1670	0.000	1	120.0222	0.371	5	118.2132	1.760	546	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]2){1|C<4>,6|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(N[6a]C[6a]){1|O<2>,3|H<1>,6|C<3>}	C[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]){2|H<1>,7|C<3>}	120.8720	0.000	1	120.8720	0.000	1	120.0222	0.371	5	118.2132	1.760	546	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N[6a])(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[5,6a]C)(N[6a]C[6a])	N[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]2){2|C<4>,2|N<2>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N[6a])(N[6a]C[6a]){2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[5,6a]C)(N[6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	119.9050	0.000	1	119.9050	0.000	1	120.0222	0.371	5	118.2132	1.760	546	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:N[6a]-2:	C[5]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]C[5])2	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[5])2{2|H<1>,2|N<2>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	117.2110	0.000	1	117.2110	0.000	1	116.7483	0.536	9	118.2132	1.760	546	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:N[6a]-2:	C[5]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]C[5])2	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[5])2{1|C<3>,2|H<1>,2|N<2>,2|O<2>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,2|C<3>,2|C<4>}	116.5490	0.157	2	116.5829	0.567	7	116.7483	0.536	9	118.2132	1.760	546	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:N[6a]-2:	C[5]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]C[5])2	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[5])2{1|C<3>,2|H<1>,2|N<2>,2|O<2>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|C<3>,2|C<4>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|C<3>,2|C<4>}	116.6637	1.223	3	116.5829	0.567	7	116.7483	0.536	9	118.2132	1.760	546	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:N[6a]-2:	C[5]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]C[5])2	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[5])2{1|C<3>,2|H<1>,2|N<2>,2|O<2>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(N[6a]C[6a]){2|C<4>,3|C<3>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(N[6a]C[6a]){2|C<4>,3|C<3>}	116.4955	0.589	2	116.5829	0.567	7	116.7483	0.536	9	118.2132	1.760	546	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:N[6a]-2:	C[5]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]C[5])2	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[5])2{1|C<3>,2|H<1>,2|N<2>,2|S<2>}	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,2|C<3>,2|C<4>}	117.4440	0.000	1	117.4440	0.000	1	116.7483	0.536	9	118.2132	1.760	546	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]C)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]2){1|C<2>,1|H<1>,1|N<2>,4|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]C)(N[6a]C[6a]){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,5|C<3>}	119.6630	0.000	2	119.6630	0.000	2	119.2467	0.520	3	118.2132	1.760	546	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]Si[5,5]C[5])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]2){1|Si<4>,1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5]Si[5,5]C[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,2|C<4>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	118.4140	0.000	1	118.4140	0.000	1	119.2467	0.520	3	118.2132	1.760	546	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[6a]-3:C[5a]-3:N[6a]-2:	N[6a](C[6a]C[5a,6a]C[5a])(C[6a]C[5a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a]C[5a]S[5a])(N[6a]C[6a])	C[6a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])(N[6a]C[6a])	N[6a](C[6a]C[5a,6a]C[5a])(C[6a]C[5a]C[6a]){2|S<2>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a]C[5a]S[5a])(N[6a]C[6a]){1|H<1>,1|N<3>,6|C<3>}	C[6a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])(N[6a]C[6a]){1|H<1>,1|N<3>,6|C<3>}	120.7840	0.000	1	120.7840	0.000	1	120.7840	0.000	1	118.2132	1.760	546	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2){7|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(N[6a]C[6a]){1|N<3>,2|H<1>,6|C<3>}	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|N<3>,2|H<1>,6|C<3>}	119.6480	0.000	1	119.6480	0.000	1	120.5200	0.459	4	118.2132	1.760	546	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|O<2>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]2)(N[6a]C[6a]){2|H<1>,6|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a]){2|H<1>,5|C<3>}	121.2200	0.000	1	121.2200	0.000	1	120.5200	0.459	4	118.2132	1.760	546	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|N<2>,1|N<3>,4|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>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a]){2|H<1>,5|C<3>}	120.6060	0.332	2	120.6060	0.110	2	120.5200	0.459	4	118.2132	1.760	546	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C[5])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C[5]){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	117.5327	0.672	7	117.7076	0.632	8	117.7076	0.632	8	118.2132	1.760	546	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C[5])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C[5]){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,5|C<3>}	118.9320	0.000	1	117.7076	0.632	8	117.7076	0.632	8	118.2132	1.760	546	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[5a]C[6a])2	C[6a](C[5a]C[5a,6]S[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[5a]C[5a,6]S[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])2{2|H<1>,2|S<2>,3|C<3>}	C[6a](C[5a]C[5a,6]S[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[5a]C[5a,6]S[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|O<2>,4|C<3>}	118.5963	0.109	3	118.5963	0.012	3	118.3397	0.798	47	118.2132	1.760	546	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[5a]C[6a])2	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)(N[6a]C[6a])	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])2{1|C<2>,1|H<1>,1|S<2>,4|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)(N[6a]C[6a]){1|H<1>,1|N<3>,5|C<3>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,5|C<3>}	119.3610	0.000	1	119.3610	0.000	1	118.3397	0.798	47	118.2132	1.760	546	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[5a]C[6a])2	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])2{2|H<1>,2|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>}	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>}	117.7840	0.000	1	117.7840	0.000	1	118.3397	0.798	47	118.2132	1.760	546	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[5a]C[6a])2	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])2{1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,3|C<3>,3|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>}	118.1330	0.000	1	118.4943	0.768	28	118.3397	0.798	47	118.2132	1.760	546	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[5a]C[6a])2	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])2{2|H<1>,2|N<2>,3|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>}	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>}	117.5710	0.851	7	118.4943	0.768	28	118.3397	0.798	47	118.2132	1.760	546	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[5a]C[6a])2	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])2{2|H<1>,2|N<2>,3|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>}	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>}	117.7530	0.298	2	118.4943	0.768	28	118.3397	0.798	47	118.2132	1.760	546	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[5a]C[6a])2	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])2{2|H<1>,2|N<3>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	119.1159	0.659	9	118.4943	0.768	28	118.3397	0.798	47	118.2132	1.760	546	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[5a]C[6a])2	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])2{2|H<1>,2|N<3>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){3|H<1>,4|C<3>}	118.9000	0.205	4	118.4943	0.768	28	118.3397	0.798	47	118.2132	1.760	546	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[5a]C[6a])2	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])2{2|H<1>,2|N<3>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,3|C<3>,3|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,3|C<3>,3|H<1>}	118.5865	0.524	4	118.4943	0.768	28	118.3397	0.798	47	118.2132	1.760	546	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[5a]C[6a])2	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])2{2|H<1>,2|N<3>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,5|C<3>}	119.2150	0.000	1	118.4943	0.768	28	118.3397	0.798	47	118.2132	1.760	546	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[5a]C[6a])2	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])2{1|C<3>,1|N<3>,2|H<1>,3|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>}	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>}	117.0580	0.000	1	117.9559	1.041	12	118.3397	0.798	47	118.2132	1.760	546	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[5a]C[6a])2	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])2{1|C<3>,2|H<1>,2|N<2>,2|N<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>}	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>}	119.2530	1.208	3	117.9559	1.041	12	118.3397	0.798	47	118.2132	1.760	546	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[5a]C[6a])2	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])2{1|C<3>,2|H<1>,2|N<2>,2|N<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,5|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,5|C<3>}	116.9800	0.000	1	117.9559	1.041	12	118.3397	0.798	47	118.2132	1.760	546	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[5a]C[6a])2	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])2{1|C<3>,2|H<1>,2|N<2>,2|N<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,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>}	117.6677	0.437	7	117.9559	1.041	12	118.3397	0.798	47	118.2132	1.760	546	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[5a]C[6a])2	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])2{1|C<3>,2|H<1>,2|N<2>,2|O<2>}	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,4|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>}	117.8615	0.241	2	117.8615	0.058	2	118.3397	0.798	47	118.2132	1.760	546	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C[6])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C[6]){1|N<2>,2|C<3>,2|H<1>,2|N<3>}	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>}	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	116.8828	0.533	4	116.8828	0.284	4	116.8828	0.284	4	118.2132	1.760	546	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)(N[6a]C[6a])	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]2){1|C<2>,1|H<1>,5|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)(N[6a]C[6a]){1|H<1>,1|N<3>,5|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,5|C<3>}	119.1445	0.104	2	119.1445	0.011	2	118.8073	0.626	20	118.2132	1.760	546	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]2){1|C<2>,1|H<1>,1|N<2>,4|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)(N[6a]C[6a]){1|H<1>,1|N<3>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,5|C<3>}	119.2830	0.173	5	119.2830	0.030	5	118.8073	0.626	20	118.2132	1.760	546	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,4|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>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|H<1>,4|C<3>}	118.2980	0.000	1	118.3392	0.062	4	118.8073	0.626	20	118.2132	1.760	546	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]2){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|Al<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,2|C<4>,4|C<3>}	118.0500	0.000	1	118.3392	0.062	4	118.8073	0.626	20	118.2132	1.760	546	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]2){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|H<1>,4|C<3>}	118.5045	0.217	2	118.3392	0.062	4	118.8073	0.626	20	118.2132	1.760	546	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]2){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)(N[6a]C[6a]){1|N<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(N[6a]C[6a]){1|H<1>,1|N<2>,3|C<3>}	117.3230	0.000	1	117.3230	0.000	1	118.8073	0.626	20	118.2132	1.760	546	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]2){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	118.7415	0.453	2	118.2888	0.375	4	118.8073	0.626	20	118.2132	1.760	546	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]2){2|H<1>,2|N<2>,3|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>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	117.8360	0.314	2	118.2888	0.375	4	118.8073	0.626	20	118.2132	1.760	546	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]C)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]2){1|H<1>,1|N<2>,1|S<2>,4|C<3>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]C)(N[6a]C[6a]){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	119.7993	0.904	3	119.7993	0.817	3	118.8073	0.626	20	118.2132	1.760	546	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]2)	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]2){1|N<2>,1|S<2>,2|H<1>,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>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|H<1>,4|C<3>}	118.2100	0.000	1	118.2100	0.000	1	118.8073	0.626	20	118.2132	1.760	546	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]C[6])2	C[6a](C[6]C[6]N[6])(C[6a]C[6a]C)(N[6a]C[6a])	C[6a](C[6]C[6]N[6])(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])2{2|C<4>,2|N<3>,3|C<3>}	C[6a](C[6]C[6]N[6])(C[6a]C[6a]C)(N[6a]C[6a]){3|H<1>,4|C<3>}	C[6a](C[6]C[6]N[6])(C[6a]C[6a]C)(N[6a]C[6a]){3|H<1>,4|C<3>}	119.5600	0.000	1	119.5600	0.000	1	117.9965	0.916	24	118.2132	1.760	546	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]C[6])2	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])2{2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,5|C<3>}	117.3220	0.000	1	117.9286	0.842	23	117.9965	0.916	24	118.2132	1.760	546	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]C[6])2	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])2{2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|O<1>,5|C<3>}	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|O<1>,5|C<3>}	116.9490	0.000	1	117.9286	0.842	23	117.9965	0.916	24	118.2132	1.760	546	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]C[6])2	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])2{2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|O<1>,2|H<1>,4|C<3>}	118.4075	1.414	2	117.9286	0.842	23	117.9965	0.916	24	118.2132	1.760	546	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]C[6])2	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])2{2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|S<4>,3|C<3>,3|H<1>}	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|S<4>,3|C<3>,3|H<1>}	117.4270	0.000	1	117.9286	0.842	23	117.9965	0.916	24	118.2132	1.760	546	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]C[6])2	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])2{2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,5|C<3>}	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,5|C<3>}	117.5649	0.514	9	117.9286	0.842	23	117.9965	0.916	24	118.2132	1.760	546	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]C[6])2	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])2{2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){3|H<1>,4|C<3>}	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){3|H<1>,4|C<3>}	118.4178	1.062	9	117.9286	0.842	23	117.9965	0.916	24	118.2132	1.760	546	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|H<1>,4|C<3>}	118.6080	0.423	6	118.6080	0.179	6	117.8997	0.884	14	118.2132	1.760	546	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,5|C<3>}	117.2060	0.000	1	118.0410	0.532	3	117.8997	0.884	14	118.2132	1.760	546	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,1|Rh<5>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,1|H<1>,4|C<3>}	118.5520	0.000	1	118.0410	0.532	3	117.8997	0.884	14	118.2132	1.760	546	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|Rh<5>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	118.3650	0.000	1	118.0410	0.532	3	117.8997	0.884	14	118.2132	1.760	546	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(N[6a]C[6a])	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2){1|Ir<6>,1|H<1>,1|N<3>,4|C<3>}	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(N[6a]C[6a]){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|H<1>,4|C<3>}	116.9650	0.723	5	116.9650	0.523	5	117.8997	0.884	14	118.2132	1.760	546	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a]-3:N[6a]-2:	C[6a,6a]-3:C[5a]-3:N[6a]-2:	N[6a](C[6a]C[6a,6a]C[5a])2	C[6a](C[6a,6a]C[3x6a]C[6a])(C[5a]C[5a]S[5a])(N[6a]C[6a])	C[6a](C[6a,6a]C[3x6a]C[6a])(C[5a]C[5a]S[5a])(N[6a]C[6a])	N[6a](C[6a]C[6a,6a]C[5a])2{2|S<2>,5|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(C[5a]C[5a]S[5a])(N[6a]C[6a]){2|H<1>,6|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(C[5a]C[5a]S[5a])(N[6a]C[6a]){2|H<1>,6|C<3>}	121.1300	0.000	1	121.1300	0.000	1	121.1300	0.000	1	118.2132	1.760	546	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|C<4>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]){3|H<1>,6|C<3>}	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]2)(N[6a]C[6a]){2|H<1>,5|C<3>}	119.5675	0.402	2	119.5675	0.162	2	119.4825	0.092	4	118.2132	1.760	546	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2){7|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]){3|H<1>,6|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]){2|H<1>,7|C<3>}	119.3975	0.293	2	119.3975	0.086	2	119.4825	0.092	4	118.2132	1.760	546	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[5a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a,6a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]N[5a])(N[6a]C[6a])	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a,6a]N[5a])(C[6a]C[6a]2){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]N[5a])(N[6a]C[6a]){1|C<4>,1|H<1>,6|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	118.7510	0.351	2	118.3088	0.314	4	118.3088	0.314	4	118.2132	1.760	546	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[5a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a,6a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]N[5a])(N[6a]C[6a])	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a,6a]N[5a])(C[6a]C[6a]2){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]N[5a])(N[6a]C[6a]){1|H<1>,7|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	117.8665	0.192	2	118.3088	0.314	4	118.3088	0.314	4	118.2132	1.760	546	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2){1|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(N[6a]C[6a]){1|H<1>,1|O<1>,7|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	117.8760	0.000	1	117.8760	0.000	1	117.8760	0.000	1	118.2132	1.760	546	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5,6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(N[6a]C[6a])	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]2){1|H<1>,6|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(N[6a]C[6a]){1|O<2>,8|C<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]2)(N[6a]C[6a]){2|H<1>,5|C<3>}	120.0060	0.000	1	120.0060	0.000	1	120.0060	0.000	1	118.2132	1.760	546	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:N[6a]-2:	C[6a]-3:C[5a]-3:N[6a]-2:	N[6a](C[6a]C[5a]C[6a])2	C[6a](C[6a]C[5a]N[6a])(C[5a]N[5a]2)(N[6a]C[6a])	C[6a](C[6a]C[5a]N[6a])(C[5a]N[5a]2)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])2{2|C<3>,2|N<3>,3|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>}	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>}	120.9780	0.000	1	120.9780	0.000	1	120.9780	0.000	1	118.2132	1.760	546	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6a]-2:	C[6a]-3:C[6]-3:N[6a]-2:	N[6a](C[6a]C[6a]C[6])2	C[6a](C[6a]C[6a]N[6a])(C[6]C[6]N[6])(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6]C[6]N[6])(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])2{1|C<2>,1|N<2>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6]C[6]N[6])(N[6a]C[6a]){1|C<2>,1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6]C[6]N[6])(N[6a]C[6a]){1|N<2>,2|H<1>,5|C<3>}	123.3170	0.000	1	123.3170	0.000	1	121.6100	5.828	2	118.2132	1.760	546	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6a]-2:	C[6a]-3:C[6]-3:N[6a]-2:	N[6a](C[6a]C[6a]C[6])2	C[6a](C[6a]N[6a]C[6])(C[6]C[6]N[6])(N[6a]C[6a])	C[6a](C[6a]N[6a]C[6])(C[6]C[6]N[6])(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])2{1|N<2>,2|N<3>,4|C<3>}	C[6a](C[6a]N[6a]C[6])(C[6]C[6]N[6])(N[6a]C[6a]){1|N<3>,2|H<1>,5|C<3>}	C[6a](C[6a]N[6a]C[6])(C[6]C[6]N[6])(N[6a]C[6a]){1|N<3>,2|H<1>,5|C<3>}	119.9030	0.000	1	119.9030	0.000	1	121.6100	5.828	2	118.2132	1.760	546	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6]C[6]N[6])(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])2(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2){1|N<3>,2|N<2>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6]C[6]N[6])(N[6a]C[6a]){1|N<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])2(N[6a]C[6a]){1|H<1>,1|N<2>,5|C<3>}	123.5670	0.000	1	123.5670	0.000	1	123.5670	0.000	1	118.2132	1.760	546	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[5]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[5]Se[5]C[5])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]2){1|Se<2>,1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	C[6a](C[5]Se[5]C[5])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	118.2790	0.000	1	118.2790	0.000	1	118.2790	0.000	1	118.2132	1.760	546	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]2){1|N<3>,2|C<3>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,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>}	117.5940	0.000	1	117.5940	0.000	1	117.5940	0.000	1	118.2132	1.760	546	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2){1|C<2>,2|C<3>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,5|C<3>}	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){5|C<3>}	118.1200	0.000	1	118.1506	0.259	8	118.1506	0.259	8	118.2132	1.760	546	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){3|H<1>,4|C<3>}	118.1550	0.549	7	118.1506	0.259	8	118.1506	0.259	8	118.2132	1.760	546	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6]-3:N[6a]-2:	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C[6])(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6]C[6]N[6])(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2){1|N<3>,2|N<2>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C[6])(N[6a]C[6a]){1|H<1>,1|N<3>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6]C[6]N[6])(N[6a]C[6a]){1|N<2>,2|H<1>,5|C<3>}	123.8785	0.317	2	123.8785	0.101	2	123.8785	0.101	2	118.2132	1.760	546	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2){7|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]){2|H<1>,7|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)(N[6a]C[6a]){9|C<3>}	121.0860	0.000	1	121.0860	0.000	1	121.0860	0.000	1	118.2132	1.760	546	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[5,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[5,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2{2|H<1>,2|N<2>,3|C<3>}	C[6a](C[6a]C[5,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6a]C[5,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	118.0400	0.000	1	118.0400	0.000	1	118.3168	1.370	323	118.2132	1.760	546	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	118.8920	0.000	1	118.8920	0.000	1	118.3168	1.370	323	118.2132	1.760	546	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|H<1>,4|C<3>}	118.7670	0.000	1	118.4475	0.204	2	118.3168	1.370	323	118.2132	1.760	546	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,5|C<3>}	118.1280	0.000	1	118.4475	0.204	2	118.3168	1.370	323	118.2132	1.760	546	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2{2|C<2>,5|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){2|H<1>,5|C<3>}	120.2350	0.142	3	119.9885	0.256	4	118.3168	1.370	323	118.2132	1.760	546	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2{7|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){3|H<1>,4|C<3>}	119.2490	0.000	1	119.9885	0.256	4	118.3168	1.370	323	118.2132	1.760	546	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	C[6a](C[6a]C[6a]2)(C[6a]C[6a]F)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2{1|F<1>,6|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]F)(N[6a]C[6a]){2|H<1>,5|C<3>}	119.3770	0.000	1	119.3770	0.000	1	118.3168	1.370	323	118.2132	1.760	546	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	C[6a](C[6a]C[6a]2)(C[6a]C[6a]S)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2{1|S<2>,6|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]S)(N[6a]C[6a]){1|O<2>,2|H<1>,4|C<3>}	118.6795	0.218	2	118.6795	0.048	2	118.3168	1.370	323	118.2132	1.760	546	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	C[6a](C[6a]C[6a]2)2(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2{7|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]2)2(N[6a]C[6a]){2|H<1>,7|C<3>}	119.6990	0.000	1	119.6990	0.000	1	118.3168	1.370	323	118.2132	1.760	546	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]F)(N[6a]C[6a])	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2{1|F<1>,1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]F)(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	118.1880	0.000	1	118.1880	0.000	1	118.3168	1.370	323	118.2132	1.760	546	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<2>,2|H<1>,4|C<3>}	119.6140	0.000	1	118.4637	0.668	55	118.3168	1.370	323	118.2132	1.760	546	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	118.4327	1.438	3	118.4637	0.668	55	118.3168	1.370	323	118.2132	1.760	546	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|F<1>,1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|H<1>,4|C<3>}	119.2440	0.000	1	118.4637	0.668	55	118.3168	1.370	323	118.2132	1.760	546	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|O<2>,5|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|O<2>,5|C<3>}	117.4850	0.000	1	118.4637	0.668	55	118.3168	1.370	323	118.2132	1.760	546	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|O<2>,5|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,5|C<3>}	120.3080	0.000	1	118.4637	0.668	55	118.3168	1.370	323	118.2132	1.760	546	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|H<1>,4|C<3>}	119.3760	0.000	1	118.4637	0.668	55	118.3168	1.370	323	118.2132	1.760	546	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|H<1>,4|C<3>}	118.8890	0.000	1	118.4637	0.668	55	118.3168	1.370	323	118.2132	1.760	546	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	118.9920	0.000	1	118.4637	0.668	55	118.3168	1.370	323	118.2132	1.760	546	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|H<1>,4|C<3>}	120.2880	0.481	2	118.4637	0.668	55	118.3168	1.370	323	118.2132	1.760	546	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,5|C<3>}	118.2336	0.611	40	118.4637	0.668	55	118.3168	1.370	323	118.2132	1.760	546	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|H<1>,4|C<3>}	118.7920	0.485	3	118.4637	0.668	55	118.3168	1.370	323	118.2132	1.760	546	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2{1|H<1>,1|O<2>,5|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){2|H<1>,5|C<3>}	119.2450	0.000	1	119.4740	0.105	2	118.3168	1.370	323	118.2132	1.760	546	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2{1|H<1>,1|O<2>,5|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){3|H<1>,4|C<3>}	119.7030	0.000	1	119.4740	0.105	2	118.3168	1.370	323	118.2132	1.760	546	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2{1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,2|C<4>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	119.8820	0.000	1	119.8820	0.000	1	118.3168	1.370	323	118.2132	1.760	546	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]2)(C[6a]N[6a]C)(N[6a]C[6a])	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2{1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]C)(N[6a]C[6a]){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	118.4650	0.000	1	118.4650	0.000	1	118.3168	1.370	323	118.2132	1.760	546	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2{1|C<3>,2|H<1>,4|N<2>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(N[6a]C[6a]){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(N[6a]C[6a]){1|H<1>,1|N<2>,3|C<3>}	117.1370	0.627	3	117.1200	0.419	5	118.3168	1.370	323	118.2132	1.760	546	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2{1|C<3>,2|H<1>,4|N<2>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(N[6a]C[6a]){1|H<1>,2|C<3>,2|N<2>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(N[6a]C[6a]){1|H<1>,2|C<3>,2|N<2>}	116.4290	0.000	1	117.1200	0.419	5	118.3168	1.370	323	118.2132	1.760	546	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2{1|C<3>,2|H<1>,4|N<2>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(N[6a]C[6a]){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(N[6a]C[6a]){1|H<1>,4|C<3>}	117.7600	0.000	1	117.1200	0.419	5	118.3168	1.370	323	118.2132	1.760	546	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2{2|C<3>,2|H<1>,3|N<2>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(N[6a]C[6a]){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	117.6010	0.000	1	117.6010	0.000	1	118.3168	1.370	323	118.2132	1.760	546	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2{1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a]){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|H<1>,4|C<3>}	119.4145	0.166	2	119.4145	0.028	2	118.3168	1.370	323	118.2132	1.760	546	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2{1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a]){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	118.8000	0.000	1	118.8000	0.000	1	118.3168	1.370	323	118.2132	1.760	546	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]2)2(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2{1|N<2>,6|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|H<1>,7|C<3>}	C[6a](C[6a]C[6a]2)2(N[6a]C[6a]){2|H<1>,7|C<3>}	119.4270	0.000	1	119.4270	0.000	1	118.3168	1.370	323	118.2132	1.760	546	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2{1|N<2>,6|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a]){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a]){2|H<1>,6|C<3>}	119.6939	0.496	16	119.6939	0.246	16	118.3168	1.370	323	118.2132	1.760	546	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(N[6a]C[6a])	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2{1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(N[6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|H<1>,4|C<3>}	119.6705	1.019	2	119.6705	1.038	2	118.3168	1.370	323	118.2132	1.760	546	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2{2|C<4>,2|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(N[6a]C[6a]){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(N[6a]C[6a]){2|H<1>,4|C<3>}	119.7145	0.808	2	119.7145	0.653	2	118.3168	1.370	323	118.2132	1.760	546	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2{1|H<1>,2|N<2>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(N[6a]C[6a]){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	118.8040	0.256	2	118.8040	0.066	2	118.3168	1.370	323	118.2132	1.760	546	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2{1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,6|C<3>}	117.3720	0.000	1	117.3720	0.000	1	118.3168	1.370	323	118.2132	1.760	546	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2{1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	117.8310	0.000	1	118.3230	0.461	30	118.3168	1.370	323	118.2132	1.760	546	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2{1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|S<2>,4|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|S<2>,2|H<1>,4|C<3>}	117.0725	0.163	2	118.3230	0.461	30	118.3168	1.370	323	118.2132	1.760	546	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2{1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|S<3>,4|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|S<3>,2|H<1>,4|C<3>}	119.1060	0.000	1	118.3230	0.461	30	118.3168	1.370	323	118.2132	1.760	546	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2{1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|S<4>,4|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|S<4>,2|H<1>,4|C<3>}	119.2120	0.000	1	118.3230	0.461	30	118.3168	1.370	323	118.2132	1.760	546	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2{1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,5|C<3>}	118.0902	0.569	14	118.3230	0.461	30	118.3168	1.370	323	118.2132	1.760	546	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2{1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|H<1>,4|C<3>}	118.7395	0.412	11	118.3230	0.461	30	118.3168	1.370	323	118.2132	1.760	546	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2{2|C<3>,2|H<1>,3|N<2>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(N[6a]C[6a]){1|H<1>,4|C<3>}	120.0950	1.334	2	120.0950	1.778	2	118.3168	1.370	323	118.2132	1.760	546	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2{2|H<1>,2|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<2>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<2>,1|H<1>,4|C<3>}	118.0030	0.738	9	117.8231	0.451	174	118.3168	1.370	323	118.2132	1.760	546	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2{2|H<1>,2|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	117.5973	0.450	6	117.8231	0.451	174	118.3168	1.370	323	118.2132	1.760	546	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2{2|H<1>,2|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,1|H<1>,4|C<3>}	117.9940	0.000	1	117.8231	0.451	174	118.3168	1.370	323	118.2132	1.760	546	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2{2|H<1>,2|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|I<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|I<1>,4|C<3>}	117.6660	0.000	1	117.8231	0.451	174	118.3168	1.370	323	118.2132	1.760	546	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2{2|H<1>,2|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<2>,4|C<3>}	117.5307	0.435	3	117.8231	0.451	174	118.3168	1.370	323	118.2132	1.760	546	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2{2|H<1>,2|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	118.1509	0.418	8	117.8231	0.451	174	118.3168	1.370	323	118.2132	1.760	546	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2{2|H<1>,2|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<3>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<3>,4|C<3>}	117.4438	0.957	6	117.8231	0.451	174	118.3168	1.370	323	118.2132	1.760	546	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2{2|H<1>,2|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|O<2>,4|C<3>}	117.2078	0.421	10	117.8231	0.451	174	118.3168	1.370	323	118.2132	1.760	546	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2{2|H<1>,2|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|S<2>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|S<2>,4|C<3>}	117.7400	0.053	3	117.8231	0.451	174	118.3168	1.370	323	118.2132	1.760	546	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2{2|H<1>,2|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|S<3>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|S<3>,4|C<3>}	117.8840	0.000	1	117.8231	0.451	174	118.3168	1.370	323	118.2132	1.760	546	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2{2|H<1>,2|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,5|C<3>}	117.7343	0.540	93	117.8231	0.451	174	118.3168	1.370	323	118.2132	1.760	546	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2{2|H<1>,2|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	117.4320	0.484	2	117.8231	0.451	174	118.3168	1.370	323	118.2132	1.760	546	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2{2|H<1>,2|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	118.3275	0.867	31	117.8231	0.451	174	118.3168	1.370	323	118.2132	1.760	546	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C[6])(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C[6])(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2{3|N<2>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C[6])(N[6a]C[6a]){1|C<2>,1|H<1>,1|N<3>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C[6])(N[6a]C[6a]){1|H<1>,1|N<3>,5|C<3>}	123.3190	0.000	1	123.3190	0.000	1	118.3168	1.370	323	118.2132	1.760	546	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C[6])(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])2(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2{3|N<2>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C[6])(N[6a]C[6a]){1|H<1>,1|N<3>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])2(N[6a]C[6a]){1|H<1>,1|N<2>,5|C<3>}	123.6230	0.000	1	123.6230	0.000	1	118.3168	1.370	323	118.2132	1.760	546	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])2(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])2(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2{3|N<2>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])2(N[6a]C[6a]){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])2(N[6a]C[6a]){1|H<1>,1|N<2>,5|C<3>}	120.7985	2.747	10	120.7985	7.547	10	118.3168	1.370	323	118.2132	1.760	546	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[5a]-3:N[6a]-2:	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]C)(N[5a]C[5a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]2){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C)(N[5a]C[5a]2)(N[6a]C[6a]){1|H<1>,6|C<3>}	117.6550	0.127	2	117.6550	0.016	2	117.6550	0.016	2	118.2132	1.760	546	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	C[6a](C[6a]C[6a]2)(N[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2){1|H<1>,6|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a]H)(N[6a]C[6a]){1|O<1>,2|H<1>,4|C<3>}	118.2740	0.000	1	118.2740	0.000	1	118.2740	0.000	1	118.2132	1.760	546	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	N[5a]-3:C[6a,6a]-3:N[6a]-2:	N[6a](C[6a]C[6a,6a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a])	C[6a](N[5a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a,6a]N[5a])(C[6a]C[6a]2){7|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|N<3>,2|H<1>,6|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]2)(N[6a]C[6a]){9|C<3>}	118.8680	0.000	1	118.8680	0.000	1	118.8680	0.000	1	118.2132	1.760	546	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	N[5a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]2){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)(N[6a]C[6a]){1|H<1>,6|C<3>}	117.8630	0.000	1	117.8630	0.000	1	117.4980	0.420	3	118.2132	1.760	546	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	N[5a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]2){2|H<1>,2|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	117.8810	0.000	1	117.3155	0.640	2	117.4980	0.420	3	118.2132	1.760	546	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	N[5a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]2){2|H<1>,2|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	116.7500	0.000	1	117.3155	0.640	2	117.4980	0.420	3	118.2132	1.760	546	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[5a]-3:N[6a]-2:	C[6a]-3:N[5a]-3:N[6a]-2:	N[6a](C[6a]C[6a]N[5a])2	C[6a](C[6a]C[6a]H)(N[5a]C[5a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[5a]C[5a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[5a])2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)(N[5a]C[5a]2)(N[6a]C[6a]){1|C<3>,1|N<3>,2|N<2>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[5a]C[5a]2)(N[6a]C[6a]){1|C<3>,1|N<3>,2|N<2>,3|H<1>}	116.3797	0.284	7	116.4426	0.101	8	116.4426	0.101	8	118.2132	1.760	546	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[5a]-3:N[6a]-2:	C[6a]-3:N[5a]-3:N[6a]-2:	N[6a](C[6a]C[6a]N[5a])2	C[6a](C[6a]C[6a]H)(N[5a]C[5a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[5a]C[5a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[5a])2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)(N[5a]C[5a]2)(N[6a]C[6a]){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[5a]C[5a]2)(N[6a]C[6a]){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	116.8830	0.000	1	116.4426	0.101	8	116.4426	0.101	8	118.2132	1.760	546	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:N[6a]-2:	N[5]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]N[5])2	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[5])2{2|H<1>,5|C<3>}	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,2|N<3>,3|C<3>}	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,2|N<3>,3|C<3>}	116.6750	0.000	1	116.6750	0.000	1	116.6750	0.000	1	118.2132	1.760	546	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]2){1|N<2>,2|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	118.0510	0.000	1	118.0510	0.000	1	118.0510	0.000	1	118.2132	1.760	546	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:N[6a]-2:	N[5a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]N[5a])2	C[6a](N[5a]C[5a,6]C[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[5a]C[5a,6]C[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[5a])2{2|H<1>,5|C<3>}	C[6a](N[5a]C[5a,6]C[5a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,2|N<3>,3|C<3>}	C[6a](N[5a]C[5a,6]C[5a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,2|N<3>,3|C<3>}	117.8735	0.009	2	117.8735	0.000	2	116.4705	0.758	37	118.2132	1.760	546	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:N[6a]-2:	N[5a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]N[5a])2	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[5a]C[5a,6]C[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[5a])2{2|H<1>,5|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6a](N[5a]C[5a,6]C[5a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,2|N<3>,3|C<3>}	117.7390	0.074	2	117.7390	0.005	2	116.4705	0.758	37	118.2132	1.760	546	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:N[6a]-2:	N[5a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]N[5a])2	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[5a])2{2|H<1>,5|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	118.4620	0.023	2	118.0493	0.511	3	116.4705	0.758	37	118.2132	1.760	546	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:N[6a]-2:	N[5a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]N[5a])2	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[5a])2{2|H<1>,5|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	117.2240	0.000	1	118.0493	0.511	3	116.4705	0.758	37	118.2132	1.760	546	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:N[6a]-2:	N[5a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]N[5a])2	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[5a])2{2|H<1>,2|N<2>,3|C<3>}	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<3>,4|C<3>}	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<3>,4|C<3>}	116.6890	0.000	1	116.6890	0.000	1	116.4705	0.758	37	118.2132	1.760	546	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:N[6a]-2:	N[5a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]N[5a])2	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[5a])2{2|H<1>,2|N<2>,3|C<3>}	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<3>,4|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	116.0270	0.000	1	116.0270	0.000	1	116.4705	0.758	37	118.2132	1.760	546	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:N[6a]-2:	N[5a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]N[5a])2	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[5a])2{2|H<1>,2|N<2>,3|C<3>}	C[6a](N[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>}	C[6a](N[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>}	116.2050	0.132	2	116.1186	0.294	28	116.4705	0.758	37	118.2132	1.760	546	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:N[6a]-2:	N[5a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]N[5a])2	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[5a])2{2|H<1>,2|N<2>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<3>,1|S<2>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<3>,1|S<2>,3|C<3>}	116.4240	0.033	2	116.1186	0.294	28	116.4705	0.758	37	118.2132	1.760	546	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:N[6a]-2:	N[5a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]N[5a])2	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[5a])2{2|H<1>,2|N<2>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<3>,1|S<4>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<3>,1|S<4>,3|C<3>}	116.9980	0.000	1	116.1186	0.294	28	116.4705	0.758	37	118.2132	1.760	546	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:N[6a]-2:	N[5a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]N[5a])2	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[5a])2{2|H<1>,2|N<2>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<3>,4|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<3>,4|C<3>}	115.9003	0.671	11	116.1186	0.294	28	116.4705	0.758	37	118.2132	1.760	546	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:N[6a]-2:	N[5a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]N[5a])2	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[5a])2{2|H<1>,2|N<2>,3|C<3>}	C[6a](N[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>}	C[6a](N[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>}	116.2210	0.348	2	116.1186	0.294	28	116.4705	0.758	37	118.2132	1.760	546	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:N[6a]-2:	N[5a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]N[5a])2	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[5a])2{2|H<1>,2|N<2>,3|C<3>}	C[6a](N[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>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	116.1530	0.000	1	116.1186	0.294	28	116.4705	0.758	37	118.2132	1.760	546	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:N[6a]-2:	N[5a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]N[5a])2	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[5a])2{2|H<1>,2|N<2>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	116.1740	0.466	9	116.1186	0.294	28	116.4705	0.758	37	118.2132	1.760	546	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:N[6a]-2:	N[6]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]N[6])2	C[6a](N[6]C[6,6]C[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6]C[6,6]C[6])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6])2{2|C<4>,2|H<1>,3|C<3>}	C[6a](N[6]C[6,6]C[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<2>,2|N<3>,3|H<1>}	C[6a](N[6]C[6,6]C[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<2>,2|N<3>,3|H<1>}	119.8610	0.000	1	119.1475	1.018	2	119.1475	1.018	2	118.2132	1.760	546	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:N[6a]-2:	N[6]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]N[6])2	C[6a](N[6]C[6,6]C[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6]C[6,6]C[6])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6])2{2|C<4>,2|H<1>,3|C<3>}	C[6a](N[6]C[6,6]C[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<2>,2|N<3>,3|H<1>}	C[6a](N[6]C[6,6]C[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,3|H<1>,3|N<3>}	118.4340	0.000	1	119.1475	1.018	2	119.1475	1.018	2	118.2132	1.760	546	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:4:2:	C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6]-4:N[6a]-2:	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C[6])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(C[6]C[6]2H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C[6]){1|C<3>,1|N<2>,1|O<2>,2|C<4>,3|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|H<1>,3|C<4>}	C[6a](C[6a]C[6a]H)(C[6]C[6]2H)(N[6a]C[6a]){2|C<3>,2|C<4>,5|H<1>}	117.8800	0.000	1	117.8800	0.000	1	117.8800	0.000	1	117.7227	0.927	3	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:4:2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6]-4:N[6a]-2:	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a,6a]H)(C[6]C[6]2H)(N[6a]C[6a])	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6]){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|C<4>,1|F<1>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6]C[6]2H)(N[6a]C[6a]){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	118.5970	0.000	1	118.5970	0.000	1	118.5970	0.000	1	117.7227	0.927	3	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:3:2:	3:4:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6]-4:N[6a]-2:	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(C[6]O[6]2H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2){1|N<2>,2|C<3>,2|O<2>,3|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6]O[6]2H)(N[6a]C[6a]){1|O<2>,2|C<3>,2|C<4>}	116.6910	0.000	1	116.6910	0.000	1	116.6910	0.000	1	117.7227	0.927	3	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:4:2:	2:2:1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[3]-4:N[6a]-2:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[5a,6a]C[3])(C[6a]N[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[3]C[3]2H)(N[6a]C[6a])	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]C[3])(C[6a]N[6a]H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	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>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|N<3>}	118.4990	0.000	1	118.4875	0.000	2	118.4875	0.000	2	118.5097	0.002	3	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:4:2:	2:2:1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[3]-4:N[6a]-2:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[5a,6a]C[3])(C[6a]N[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[3]C[3]2H)(N[6a]C[6a])	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]C[3])(C[6a]N[6a]H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	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>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|N<3>}	118.4760	0.000	1	118.4875	0.000	2	118.4875	0.000	2	118.5097	0.002	3	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:4:2:	2:2:1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6]-4:N[6a]-2:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[5a,6a]C[6])(C[6a]N[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6]C[6]2C)(N[6a]C[6a])	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]C[6])(C[6a]N[6a]H){1|C<2>,2|C<3>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6]C[6]2C)(N[6a]C[6a]){1|N<2>,1|S<2>,2|C<3>,2|C<4>,5|H<1>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|S<2>}	118.5540	0.000	1	118.5540	0.000	1	118.5540	0.000	1	118.5097	0.002	3	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:4:2:	2:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[3]-4:N[6a]-2:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]C[3])(C[6a]N[6a]N)	C[6a](C[6a]C[6a]H)(C[3]C[3]2H)(N[6a]C[6a])	C[6a](N[6a]C[6a])2(NC[6a]H)	N[6a](C[6a]C[6a]C[3])(C[6a]N[6a]N){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[3]C[3]2H)(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,4|H<1>}	C[6a](N[6a]C[6a])2(NC[6a]H){1|C<3>,2|C<4>}	116.0650	0.000	1	116.0650	0.000	1	116.0650	0.000	1	116.0650	0.000	1	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:4:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6]-4:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[5a,6a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6]N[6,6]C[6]H)(N[6a]C[6a])	C[6a](C[6a]C[5a,6a]O)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,1|O<2>,2|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6]N[6,6]C[6]H)(N[6a]C[6a]){1|C<4>,4|H<1>,5|C<3>}	C[6a](C[6a]C[5a,6a]O)(N[6a]C[6a])(H){1|C<4>,2|C<3>}	120.0420	0.000	1	120.0420	0.000	1	120.0420	0.000	1	117.7333	0.491	56	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:4:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(CC[5]P[5]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(CC[5]P[5]H)(N[6a]C[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	117.6230	0.000	1	117.6230	0.000	1	117.4130	0.088	2	117.7333	0.491	56	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:4:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(CC[6]N[6]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(CC[6]N[6]H)(N[6a]C[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	117.2030	0.000	1	117.2030	0.000	1	117.4130	0.088	2	117.7333	0.491	56	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:4:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[3]-4:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[3]C[3]2C)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[3]C[3]2C)(N[6a]C[6a]){2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	116.7840	0.000	1	116.7840	0.000	1	116.7840	0.000	1	117.7333	0.491	56	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:4:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[3x6]-4:N[6a]-2:	C[6a,6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a,6a]H)	C[6a](C[6a]C[6a,6a]H)(C[3x6]C[6,6]3)(N[6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a,6a]H){1|H<1>,2|C<3>,3|C<4>}	C[6a](C[6a]C[6a,6a]H)(C[3x6]C[6,6]3)(N[6a]C[6a]){2|C<3>,3|C<4>,7|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H){1|C<4>,1|H<1>,3|C<3>}	118.3440	0.000	1	118.3440	0.000	1	118.3440	0.000	1	117.7333	0.491	56	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:4:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[4]-4:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[4]C[4]2C)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]H)(C[4]C[4]2C)(N[6a]C[6a]){2|C<3>,3|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	118.6030	0.164	2	118.6030	0.027	2	117.3874	0.515	10	117.7333	0.491	56	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:4:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[4]-4:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[4]C[4]2H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[4]C[4]2H)(N[6a]C[6a]){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	117.0835	0.361	8	117.0835	0.131	8	117.3874	0.515	10	117.7333	0.491	56	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:4:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[5]C[5]2F)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|F<1>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[5]C[5]2F)(N[6a]C[6a]){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	117.2730	0.000	1	117.2730	0.000	1	117.7131	0.357	13	117.7333	0.491	56	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:4:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[5]C[5]2H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[5]C[5]2H)(N[6a]C[6a]){2|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	117.4320	0.000	1	117.4320	0.000	1	117.7131	0.357	13	117.7333	0.491	56	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:4:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[5]C[5]2O)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[5]C[5]2O)(N[6a]C[6a]){1|C<3>,2|C<4>,6|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	118.0690	0.475	6	118.0184	0.185	8	117.7131	0.357	13	117.7333	0.491	56	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:4:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[5]C[5]2O)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[5]C[5]2O)(N[6a]C[6a]){2|C<3>,3|C<4>,4|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	117.8665	0.319	2	118.0184	0.185	8	117.7131	0.357	13	117.7333	0.491	56	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:4:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[5]N[5]2C)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]H)(C[5]N[5]2C)(N[6a]C[6a]){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	117.5890	0.000	1	117.5890	0.000	1	117.7131	0.357	13	117.7333	0.491	56	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:4:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[5]N[5]2H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,2|N<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[5]N[5]2H)(N[6a]C[6a]){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	117.4980	0.000	1	116.9145	0.681	2	117.7131	0.357	13	117.7333	0.491	56	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:4:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[5]N[5]2H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,2|N<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[5]N[5]2H)(N[6a]C[6a]){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	116.3310	0.000	1	116.9145	0.681	2	117.7131	0.357	13	117.7333	0.491	56	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:4:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6]C[6]2C)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]H)(C[6]C[6]2C)(N[6a]C[6a]){1|C<3>,2|N<3>,6|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	117.9900	0.443	2	117.8477	0.159	3	117.8722	0.293	27	117.7333	0.491	56	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:4:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6]C[6]2C)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6]C[6]2C)(N[6a]C[6a]){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	117.5630	0.000	1	117.8477	0.159	3	117.8722	0.293	27	117.7333	0.491	56	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:4:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6]C[6]2H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6]C[6]2H)(N[6a]C[6a]){1|C<2>,1|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<2>,1|C<3>,1|C<4>}	117.9693	0.423	6	117.8319	0.235	10	117.8722	0.293	27	117.7333	0.491	56	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:4:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6]C[6]2H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6]C[6]2H)(N[6a]C[6a]){1|C<3>,2|O<2>,6|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	118.2150	0.000	1	117.8319	0.235	10	117.8722	0.293	27	117.7333	0.491	56	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:4:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6]C[6]2H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6]C[6]2H)(N[6a]C[6a]){1|C<3>,2|S<2>,6|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	117.1505	0.069	2	117.8319	0.235	10	117.8722	0.293	27	117.7333	0.491	56	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:4:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6]C[6]2H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6]C[6]2H)(N[6a]C[6a]){1|C<4>,1|C<6>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	117.9870	0.000	1	117.8319	0.235	10	117.8722	0.293	27	117.7333	0.491	56	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:4:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6]C[6]2O)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6]C[6]2O)(N[6a]C[6a]){2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	117.9145	0.234	4	117.9145	0.055	4	117.8722	0.293	27	117.7333	0.491	56	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:4:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6]N[6]2C)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]H)(C[6]N[6]2C)(N[6a]C[6a]){1|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	117.9480	0.000	1	117.9480	0.000	1	117.8722	0.293	27	117.7333	0.491	56	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:4:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6]N[6]2H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,2|N<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6]N[6]2H)(N[6a]C[6a]){1|C<3>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	117.5540	0.459	3	117.5038	0.112	5	117.8722	0.293	27	117.7333	0.491	56	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:4:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6]N[6]2H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,2|N<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6]N[6]2H)(N[6a]C[6a]){1|C<3>,2|N<3>,4|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	117.3690	0.000	1	117.5038	0.112	5	117.8722	0.293	27	117.7333	0.491	56	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:4:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6]N[6]2H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,2|N<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6]N[6]2H)(N[6a]C[6a]){1|N<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	117.4880	0.000	1	117.5038	0.112	5	117.8722	0.293	27	117.7333	0.491	56	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:4:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6]N[6]2O)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]H)(C[6]N[6]2O)(N[6a]C[6a]){2|Re<6>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	119.2155	0.241	2	119.2155	0.058	2	117.8722	0.293	27	117.7333	0.491	56	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:4:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]O)(C[6]C[6]2H)(N[6a]C[6a])	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|N<2>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6a]N[6a]O)(C[6]C[6]2H)(N[6a]C[6a]){1|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>}	117.5660	0.007	2	117.5660	0.000	2	117.8722	0.293	27	117.7333	0.491	56	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:4:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6]-4:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C)(N[6]C[6]2H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C)(N[6]C[6]2H)(N[6a]C[6a]){1|C<3>,2|C<4>,6|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<4>}	116.3760	0.000	1	116.3760	0.000	1	116.3760	0.000	1	117.7333	0.491	56	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:4:2:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[3]-4:N[6a]-2:	C[6a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C[3])	C[6a](C[6a]C[6a]C)(C[3]C[3]2H)(N[6a]C[6a])	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C[3]){1|H<1>,3|C<3>,3|C<4>}	C[6a](C[6a]C[6a]C)(C[3]C[3]2H)(N[6a]C[6a]){1|N<2>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	117.6270	0.000	1	117.6270	0.000	1	117.6270	0.000	1	116.6118	0.491	5	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:4:2:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6a]-2:	C[6a]-3:N[6a]-2:O-2:	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(C[6]C[6]2H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6]C[6]2H)(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<3>,1|O<2>,5|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|C<3>,1|C<4>,1|H<1>}	116.4200	0.560	3	116.4200	0.314	3	116.4200	0.314	3	116.6118	0.491	5	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:4:2:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:Se-4:N[6a]-2:	C[6a]-3:N[6a]-2:Se-2:	N[6a](C[6a]C[6a]Se)2	C[6a](C[6a]C[6a]H)(SeC[6a]Br2)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SeC[6a])	N[6a](C[6a]C[6a]Se)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(SeC[6a]Br2)(N[6a]C[6a]){1|Se<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SeC[6a]){1|Se<4>,1|C<3>,1|H<1>}	116.1720	0.000	1	116.1720	0.000	1	116.1720	0.000	1	116.6118	0.491	5	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:4:2:	3:2:3:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5]-4:N[6a]-2:	C[6a]-3:N[6a]-2:C-3:	N[6a](C[6a]C[5a,6a]C[5])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5]C[5]2H)(N[6a]C[6a])	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(COO)	N[6a](C[6a]C[5a,6a]C[5])(C[6a]C[6a]C){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5]C[5]2H)(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<3>,7|C<3>}	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(COO){1|C<4>,2|C<3>}	120.0830	0.000	1	120.0830	0.000	1	119.3150	1.180	2	118.5420	2.937	4	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:4:2:	3:2:3:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5]-4:N[6a]-2:	C[6a]-3:N[6a]-2:C-3:	N[6a](C[6a]C[5a,6a]C[5])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5]C[5]O[5]H)(N[6a]C[6a])	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(COO)	N[6a](C[6a]C[5a,6a]C[5])(C[6a]C[6a]C){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5]C[5]O[5]H)(N[6a]C[6a]){2|H<1>,7|C<3>}	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(COO){1|C<4>,2|C<3>}	118.5470	0.000	1	118.5470	0.000	1	119.3150	1.180	2	118.5420	2.937	4	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:4:2:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6]-4:N[6a]-2:	C[6a]-3:N[6a]-2:C-3:	N[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6]2H)(N[6a]C[6a])	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]C){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6]2H)(N[6a]C[6a]){2|C<4>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(COO){1|C<4>,2|C<3>}	119.3880	0.000	1	119.3880	0.000	1	119.3880	0.000	1	118.5420	2.937	4	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:4:2:	3:2:3:	C[6a]-3:C[6a]-3:	C[6a]-3:Se-4:N[6a]-2:	C[6a]-3:N[6a]-2:Se-3:	N[6a](C[6a]C[6a]Se)2	C[6a](C[6a]C[6a]H)(SeC[6a]Cl2)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SeC[6a]Cl)	N[6a](C[6a]C[6a]Se)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(SeC[6a]Cl2)(N[6a]C[6a]){1|Se<3>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SeC[6a]Cl){1|Se<4>,1|C<3>,1|H<1>}	116.1500	0.000	1	116.1500	0.000	1	116.1500	0.000	1	118.5420	2.937	4	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:4:2:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:As-4:N[6a]-2:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]As)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]H)(AsC[6a]2Pt)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]As)(C[6a]C[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(AsC[6a]2Pt)(N[6a]C[6a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|As<4>,1|C<3>,1|H<1>}	117.2892	0.481	6	117.2892	0.231	6	117.2892	0.231	6	117.6785	0.722	8	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:4:2:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[6a]-2:	C[6a,6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C[5])	C[6a](C[6a]C[6a,6a]H)(C[5]C[5]2Fe)(N[6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C[5]){1|Fe<10>,1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a,6a]H)(C[5]C[5]2Fe)(N[6a]C[6a]){2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CH3){1|C<4>,1|H<1>,3|C<3>}	119.2070	0.000	1	119.2070	0.000	1	119.2070	0.000	1	117.6785	0.722	8	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:4:2:	3:2:4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6a]-2:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)	C[6a](C[6a]C[6a]H)(C[6]C[6]2H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6]C[6]2H)(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|C<4>,1|H<1>}	118.4860	0.000	1	118.4860	0.000	1	118.4860	0.000	1	117.6785	0.722	8	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:4:2:	3:4:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[6a]-2:	C[6a]-3:C[5]-4:N[6a]-2:	N[6a](C[6a]C[6a]C[5])2	C[6a](C[6a]C[6a]H)(C[5]N[5]2H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(C[5]N[5]2H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[5])2{1|C<3>,4|H<1>,4|N<3>}	C[6a](C[6a]C[6a]H)(C[5]N[5]2H)(N[6a]C[6a]){1|C<3>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]H)(C[5]N[5]2H)(N[6a]C[6a]){1|C<3>,2|H<1>,4|C<4>}	117.7930	0.000	1	117.7930	0.000	1	117.7930	0.000	1	118.4813	0.605	4	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:4:2:	3:4:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6a]-2:	C[6a]-3:C[6]-4:N[6a]-2:	N[6a](C[6a]C[6a]C[6])2	C[6a](C[6a]C[6a]H)(C[6]N[6]2C)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(C[6]N[6]2C)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])2{1|C<3>,2|C<4>,2|H<1>,4|N<3>}	C[6a](C[6a]C[6a]H)(C[6]N[6]2C)(N[6a]C[6a]){1|C<3>,3|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6]N[6]2C)(N[6a]C[6a]){1|C<3>,3|C<4>,3|H<1>}	119.1435	0.241	2	119.1435	0.058	2	118.7107	0.591	3	118.4813	0.605	4	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	3:4:2:	3:4:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6a]-2:	C[6a]-3:C[6]-4:N[6a]-2:	N[6a](C[6a]C[6a]C[6])2	C[6a](C[6a]C[6a]H)(C[6]O[6]2C)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(C[6]O[6]2C)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])2{1|C<3>,2|C<4>,2|H<1>,4|O<2>}	C[6a](C[6a]C[6a]H)(C[6]O[6]2C)(N[6a]C[6a]){1|C<3>,1|H<1>,3|C<4>}	C[6a](C[6a]C[6a]H)(C[6]O[6]2C)(N[6a]C[6a]){1|C<3>,1|H<1>,3|C<4>}	117.8450	0.000	1	117.8450	0.000	1	118.7107	0.591	3	118.4813	0.605	4	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	4:2:2:	3:2:4:	C[6a]-3:C[6a]-3:	C[5]-4:N[6a]-2:N[6a]-2:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]N[6a]C[5])(C[6a]C[6a]C)	C[6a](C[5]C[5]2Fe)(N[6a]C[6a])2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]N[6a]C[5])(C[6a]C[6a]C){1|Fe<10>,1|C<3>,1|H<1>,2|C<4>}	C[6a](C[5]C[5]2Fe)(N[6a]C[6a])2{1|C<3>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|N<2>,2|C<4>}	116.2518	0.266	8	116.2518	0.071	8	116.2518	0.071	8	116.2313	0.123	10	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	4:2:2:	3:2:4:	C[6a]-3:C[6a]-3:	C[6]-4:N[6a]-2:N[6a]-2:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]N[6a]C[6])(C[6a]C[6a]C)	C[6a](C[6]N[6]2H)(N[6a]C[6a])2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]N[6a]C[6])(C[6a]C[6a]C){1|C<3>,2|H<1>,2|N<3>}	C[6a](C[6]N[6]2H)(N[6a]C[6a])2{1|C<3>,2|C<4>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|N<2>,2|C<4>}	116.1495	0.771	2	116.1495	0.595	2	116.1495	0.595	2	116.2313	0.123	10	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	4:2:2:	4:2:2:	C[6a]-3:C[6a]-3:	C[3]-4:N[6a]-2:N[6a]-2:	C[3]-4:N[6a]-2:N[6a]-2:	N[6a](C[6a]N[6a]C[3])2	C[6a](C[3]C[3]2H)(N[6a]C[6a])2	C[6a](C[3]C[3]2H)(N[6a]C[6a])2	N[6a](C[6a]N[6a]C[3])2{1|C<3>,2|H<1>,4|C<4>}	C[6a](C[3]C[3]2H)(N[6a]C[6a])2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[6a](C[3]C[3]2H)(N[6a]C[6a])2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	114.7120	0.000	1	114.7120	0.000	1	114.7120	0.000	1	114.7120	0.000	1	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	4:3:2:	2:2:1:	C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:Cl-1:	N[6a](C[6a]C[6a]C[5])(C[6a]N[6a]Cl)	C[6a](C[5]C[5]2Fe)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a])2(Cl)	N[6a](C[6a]C[6a]C[5])(C[6a]N[6a]Cl){1|Fe<10>,1|C<3>,1|H<1>,2|C<4>}	C[6a](C[5]C[5]2Fe)(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,1|N<2>,2|C<4>,3|H<1>}	C[6a](N[6a]C[6a])2(Cl){1|C<3>,1|C<4>,1|H<1>}	114.7170	0.000	1	114.7170	0.000	1	114.7170	0.000	1	115.2495	0.567	2	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	4:3:2:	2:2:1:	C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[5])(C[6a]N[6a]H)	C[6a](C[5]C[5]2Fe)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]C[5])(C[6a]N[6a]H){1|Fe<10>,1|C<3>,1|H<1>,2|C<4>}	C[6a](C[5]C[5]2Fe)(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,1|N<2>,2|C<4>,3|H<1>}	C[6a](N[6a]C[6a])2(H){1|Cl<1>,1|C<3>,1|C<4>}	115.7820	0.000	1	115.7820	0.000	1	115.7820	0.000	1	115.2495	0.567	2	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	4:3:2:	2:2:3:	C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-2:N-3:	N[6a](C[6a]C[6a]C[5])(C[6a]N[6a]N)	C[6a](C[5]C[5]2Fe)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a])2(NCH)	N[6a](C[6a]C[6a]C[5])(C[6a]N[6a]N){1|Fe<10>,1|C<3>,1|H<1>,2|C<4>}	C[6a](C[5]C[5]2Fe)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[6a](N[6a]C[6a])2(NCH){1|C<3>,1|C<4>,1|O<2>}	115.9150	0.000	1	115.9150	0.000	1	115.9150	0.000	1	115.9150	0.000	1	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	4:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	B-4:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]B)(C[6a]C[6a]H)	C[6a](BC[6a]2C[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]B)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](BC[6a]2C[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|B<4>,1|C<3>,1|H<1>}	119.5098	0.914	10	119.5098	0.835	10	119.5098	0.835	10	117.3650	0.896	247	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	4:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	B[5,5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:Br-1:	N[6a](C[6a]B[5,5]C[6a])(C[6a]C[6a]Br)	C[6a](B[5,5]N[5,5]O[5]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br)	N[6a](C[6a]B[5,5]C[6a])(C[6a]C[6a]Br){1|C<3>,1|N<4>,2|H<1>,2|O<2>}	C[6a](B[5,5]N[5,5]O[5]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|Br<1>,1|C<3>,1|H<1>,5|C<4>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br){1|B<4>,1|C<3>,1|H<1>}	117.4810	0.000	1	117.4810	0.000	1	117.4810	0.000	1	117.3650	0.896	247	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	4:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	B[5,5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]B[5,5]C[6a])(C[6a]C[6a]H)	C[6a](B[5,5]N[5,5]O[5]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]B[5,5]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<4>,2|H<1>,2|O<2>}	C[6a](B[5,5]N[5,5]O[5]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>,3|C<4>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|B<4>,1|C<3>,1|H<1>}	118.3190	0.000	1	118.3190	0.000	1	117.6785	0.820	2	117.3650	0.896	247	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	4:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	B[5,5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]B[5,5]C[6a])(C[6a]C[6a]H)	C[6a](B[5,5]N[5,5]O[5]2)(C[6a]N[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]B[5,5]C[6a])(C[6a]C[6a]H){1|N<2>,1|N<4>,2|H<1>,2|O<2>}	C[6a](B[5,5]N[5,5]O[5]2)(C[6a]N[6a]H)(N[6a]C[6a]){1|H<1>,3|C<3>,3|C<4>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|B<4>,1|C<3>}	117.0380	0.000	1	117.0380	0.000	1	117.6785	0.820	2	117.3650	0.896	247	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	4:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C-4:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](CC[3x3,4,3x5,14x6]HN)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](CC[3x3,4,3x5,14x6]HN)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	117.1750	0.000	1	117.1750	0.000	1	117.1936	0.207	36	117.3650	0.896	247	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	4:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C-4:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](CC[3x3,4,3x5,14x6]HO)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](CC[3x3,4,3x5,14x6]HO)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	117.0185	0.258	4	117.0185	0.067	4	117.1936	0.207	36	117.3650	0.896	247	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	4:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C-4:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](CC[5,6]C[6a]O)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](CC[5,6]C[6a]O)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	117.5790	0.000	1	117.5790	0.000	1	117.1936	0.207	36	117.3650	0.896	247	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	4:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C-4:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](CC[5x3,5x5,20x6]HH)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](CC[5x3,5x5,20x6]HH)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	116.9230	0.000	1	116.9230	0.000	1	117.1936	0.207	36	117.3650	0.896	247	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	4:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C-4:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](CC[5x3,5x5,20x6]HN)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](CC[5x3,5x5,20x6]HN)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	116.9150	0.000	1	116.9150	0.000	1	117.1936	0.207	36	117.3650	0.896	247	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	4:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C-4:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](CC[5x3,5x5,20x6]HO)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](CC[5x3,5x5,20x6]HO)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	117.4387	0.503	11	117.4387	0.253	11	117.1936	0.207	36	117.3650	0.896	247	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	4:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C-4:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](CC[6a]C[6]N)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](CC[6a]C[6]N)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	117.5140	0.227	4	117.5140	0.052	4	117.1936	0.207	36	117.3650	0.896	247	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	4:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C-4:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](CC[6a]C[6]O)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](CC[6a]C[6]O)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	116.6333	0.682	3	116.6333	0.465	3	117.1936	0.207	36	117.3650	0.896	247	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	4:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C-4:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](CC[6a]N[5]H)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](CC[6a]N[5]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	117.0521	0.293	10	117.0521	0.086	10	117.1936	0.207	36	117.3650	0.896	247	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	4:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[3]-4:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)	C[6a](C[3]C[3,6]C[6a]O[3])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[3]C[3,6]C[6a]O[3])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	116.4450	0.000	1	116.4450	0.000	1	116.8177	0.329	9	117.3650	0.896	247	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	4:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[3]-4:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)	C[6a](C[3]C[3]O[3]C)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[3]C[3]O[3]C)(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	116.9780	0.000	1	116.9780	0.000	1	116.8177	0.329	9	117.3650	0.896	247	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	4:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[3]-4:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)	C[6a](C[3]C[6a]N[3]O[3])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[3]C[6a]N[3]O[3])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	116.6280	0.645	4	116.6280	0.416	4	116.8177	0.329	9	117.3650	0.896	247	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	4:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[3]-4:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)	C[6a](C[3]C[6a]O[3]P[3])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H){1|O<2>,1|P<4>,2|C<3>,2|H<1>}	C[6a](C[3]C[6a]O[3]P[3])(C[6a]C[6a]H)(N[6a]C[6a]){1|Cr<6>,1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	117.3205	0.754	2	117.3205	0.569	2	116.8177	0.329	9	117.3650	0.896	247	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	4:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[3]-4:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)	C[6a](C[3]N[3]O[3]H)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	C[6a](C[3]N[3]O[3]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	116.7830	0.000	1	116.7830	0.000	1	116.8177	0.329	9	117.3650	0.896	247	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	4:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[3x4,3x6]-4:C[6a,6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[3x4,3x6]C[6a,6a])(C[6a]C[6a]H)	C[6a](C[3x4,3x6]C[3x4,3x6]3)(C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[3x4,3x6]C[6a,6a])(C[6a]C[6a]H){1|H<1>,2|C<3>,3|C<4>}	C[6a](C[3x4,3x6]C[3x4,3x6]3)(C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]){3|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(H){1|C<4>,2|C<3>}	117.9530	0.000	1	117.9530	0.000	1	117.9530	0.000	1	117.3650	0.896	247	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	4:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[3x6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6a](C[3x6]C[6,6]3)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]H){1|H<1>,2|C<3>,3|C<4>}	C[6a](C[3x6]C[6,6]3)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,3|C<4>,8|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	118.0940	0.201	3	118.0940	0.040	3	118.5152	0.737	4	117.3650	0.896	247	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	4:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[3x6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6a](C[3x6]C[6,6]3)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>}	C[6a](C[3x6]C[6,6]3)(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,3|C<4>,7|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<4>,2|C<3>}	119.7790	0.000	1	119.7790	0.000	1	118.5152	0.737	4	117.3650	0.896	247	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	4:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[4,4]-4:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[4,4]C[6a])(C[6a]C[6a]H)	C[6a](C[4,4]Ge[4,4]2P[4])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[4,4]C[6a])(C[6a]C[6a]H){2|Ge<3>,1|C<3>,1|P<4>,2|H<1>}	C[6a](C[4,4]Ge[4,4]2P[4])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,2|H<1>,2|N<3>,3|C<4>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	117.2635	0.401	2	117.2635	0.161	2	117.2635	0.161	2	117.3650	0.896	247	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	4:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[4,5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[4,5]C[6a])(C[6a]C[6a]H)	C[6a](C[4,5]C[4,5]C[5]O[4])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[4,5]C[6a])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[4,5]C[4,5]C[5]O[4])(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	116.6690	0.000	1	116.6690	0.000	1	116.6690	0.000	1	117.3650	0.896	247	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	4:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[4]-4:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:Br-1:	N[6a](C[6a]C[6a]C[4])(C[6a]C[6a]Br)	C[6a](C[4]C[4]O[4]H)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]C[4])(C[6a]C[6a]Br){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6a](C[4]C[4]O[4]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|Br<1>,1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br){1|C<3>,1|C<4>,1|H<1>}	116.2970	0.000	1	116.2970	0.000	1	116.2970	0.000	1	117.3650	0.896	247	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	4:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[4]-4:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)	C[6a](C[4]C[4,6]C[4]H)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[4]C[4,6]C[4]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|F<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	117.7255	0.282	2	117.4510	0.204	4	117.3396	0.191	10	117.3650	0.896	247	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	4:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[4]-4:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)	C[6a](C[4]C[4,6]C[4]H)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[4]C[4,6]C[4]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	117.1765	0.480	2	117.4510	0.204	4	117.3396	0.191	10	117.3650	0.896	247	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	4:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[4]-4:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)	C[6a](C[4]C[4]2Fe)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H){1|Fe<9>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[4]C[4]2Fe)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	117.6247	0.184	3	117.6247	0.034	3	117.3396	0.191	10	117.3650	0.896	247	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	4:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[4]-4:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)	C[6a](C[4]C[4]N[4]C)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[4]C[4]N[4]C)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	117.2390	0.000	1	117.2390	0.000	1	117.3396	0.191	10	117.3650	0.896	247	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	4:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[4]-4:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)	C[6a](C[4]C[4]O[4]H)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6a](C[4]C[4]O[4]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	116.7395	0.142	2	116.7395	0.020	2	117.3396	0.191	10	117.3650	0.896	247	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	4:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,5]C[5,5,6]C[5,6a]O[5])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5,5]C[5,5,6]C[5,6a]O[5])(C[6a]C[6a]H)(N[6a]C[6a]){2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	116.8850	0.000	1	116.8850	0.000	1	117.2806	0.180	8	117.3650	0.896	247	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	4:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,5]C[5,5,6]C[5]O[5])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[5,5]C[5,5,6]C[5]O[5])(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,3|C<4>,5|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	116.9230	0.000	1	117.4470	0.549	2	117.2806	0.180	8	117.3650	0.896	247	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	4:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,5]C[5,5,6]C[5]O[5])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[5,5]C[5,5,6]C[5]O[5])(C[6a]C[6a]H)(N[6a]C[6a]){2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	117.9710	0.000	1	117.4470	0.549	2	117.2806	0.180	8	117.3650	0.896	247	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	4:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,5]C[5,5]C[5]N[5])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5,5]C[5,5]C[5]N[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	117.5040	0.000	1	117.2125	0.122	4	117.2806	0.180	8	117.3650	0.896	247	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	4:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,5]C[5,5]C[5]N[5])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5,5]C[5,5]C[5]N[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|C<3>,3|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	117.1153	0.356	3	117.2125	0.122	4	117.2806	0.180	8	117.3650	0.896	247	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	4:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,5]C[5,5]C[5]O[5])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[5,5]C[5,5]C[5]O[5])(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,3|C<4>,5|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	117.6160	0.000	1	117.6160	0.000	1	117.2806	0.180	8	117.3650	0.896	247	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	4:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6]C[5,6]N[6]O[5])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6a](C[5,6]C[5,6]N[6]O[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|N<2>,3|C<4>,4|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	117.2875	0.254	2	117.2875	0.064	2	117.2150	0.040	5	117.3650	0.896	247	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	4:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6]C[5,6a]C[6,6a]O[5,6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5,6]C[5,6a]C[6,6a]O[5,6])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	117.1270	0.000	1	117.1270	0.000	1	117.2150	0.040	5	117.3650	0.896	247	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	4:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6]N[5,6]C[5]C[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6a](C[5,6]N[5,6]C[5]C[6])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|C<4>,5|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	117.3820	0.000	1	117.1865	0.076	2	117.2150	0.040	5	117.3650	0.896	247	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	4:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6]N[5,6]C[5]C[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5,6]N[5,6]C[5]C[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|O<1>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	116.9910	0.000	1	117.1865	0.076	2	117.2150	0.040	5	117.3650	0.896	247	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	4:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	117.1370	2.565	2	117.1370	6.581	2	117.4332	1.226	53	117.3650	0.896	247	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	4:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5]C[5,6]C[5]O)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5]C[5,6]C[5]O)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	116.0525	0.340	2	116.6173	1.015	3	117.4332	1.226	53	117.3650	0.896	247	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	4:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5]C[5,6]C[5]O)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5]C[5,6]C[5]O)(C[6a]C[6a]H)(N[6a]C[6a]){1|Ru<6>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	117.7470	0.000	1	116.6173	1.015	3	117.4332	1.226	53	117.3650	0.896	247	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	4:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	117.2225	0.680	2	117.2225	0.462	2	117.4332	1.226	53	117.3650	0.896	247	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	4:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5]C[5,6a]C[5]2)(C[6a]C[6a]Br)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5]C[5,6a]C[5]2)(C[6a]C[6a]Br)(N[6a]C[6a]){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	120.0080	0.000	1	120.0080	0.000	1	117.4332	1.226	53	117.3650	0.896	247	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	4:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]Br)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]Br)(N[6a]C[6a]){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	119.8460	0.683	2	119.8460	0.467	2	117.4332	1.226	53	117.3650	0.896	247	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	4:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5]C[5]2Fe)(C[6a]C[6a]C)(N[6a]C[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|Fe<10>,1|C<3>,4|C<4>}	C[6a](C[5]C[5]2Fe)(C[6a]C[6a]C)(N[6a]C[6a]){1|C<3>,1|S<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	118.7930	0.000	1	118.9115	0.028	2	117.4332	1.226	53	117.3650	0.896	247	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	4:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5]C[5]2Fe)(C[6a]C[6a]C)(N[6a]C[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|Fe<10>,1|C<3>,4|C<4>}	C[6a](C[5]C[5]2Fe)(C[6a]C[6a]C)(N[6a]C[6a]){1|Sn<4>,1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	119.0300	0.000	1	118.9115	0.028	2	117.4332	1.226	53	117.3650	0.896	247	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	4:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5]C[5]2Fe)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|Fe<10>,1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	C[6a](C[5]C[5]2Fe)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	118.2300	0.000	1	118.2300	0.000	1	117.4332	1.226	53	117.3650	0.896	247	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	4:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5]C[5]2Fe)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|Fe<10>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5]C[5]2Fe)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<2>,1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	117.3070	0.175	2	116.7455	0.969	12	117.4332	1.226	53	117.3650	0.896	247	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	4:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5]C[5]2Fe)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|Fe<10>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5]C[5]2Fe)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	116.6753	1.102	9	116.7455	0.969	12	117.4332	1.226	53	117.3650	0.896	247	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	4:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5]C[5]2Fe)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|Fe<10>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5]C[5]2Fe)(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<4>,2|C<3>}	116.2540	0.000	1	116.7455	0.969	12	117.4332	1.226	53	117.3650	0.896	247	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	4:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5]C[5]2Fe)(C[6a]N[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|Fe<10>,1|N<2>,2|C<4>,2|H<1>}	C[6a](C[5]C[5]2Fe)(C[6a]N[6a]H)(N[6a]C[6a]){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>}	116.7618	0.722	4	116.7618	0.521	4	117.4332	1.226	53	117.3650	0.896	247	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	4:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5]C[5]2Re)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|Re<8>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5]C[5]2Re)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	118.0190	0.000	1	118.0190	0.000	1	117.4332	1.226	53	117.3650	0.896	247	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	4:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5]C[5]2Ru)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|Ru<7>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5]C[5]2Ru)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	117.8370	0.000	1	117.3890	0.401	2	117.4332	1.226	53	117.3650	0.896	247	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	4:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5]C[5]2Ru)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|Ru<8>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5]C[5]2Ru)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	116.9410	0.000	1	117.3890	0.401	2	117.4332	1.226	53	117.3650	0.896	247	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	4:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	117.6700	0.000	1	117.6930	0.001	2	117.4332	1.226	53	117.3650	0.896	247	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	4:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	117.7160	0.000	1	117.6930	0.001	2	117.4332	1.226	53	117.3650	0.896	247	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	4:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	118.0690	0.000	1	118.0690	0.000	1	117.4332	1.226	53	117.3650	0.896	247	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	4:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	117.0650	0.000	1	117.3702	0.282	8	117.4332	1.226	53	117.3650	0.896	247	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	4:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<2>,1|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	117.9690	0.000	1	117.3702	0.282	8	117.4332	1.226	53	117.3650	0.896	247	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	4:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	116.4270	0.000	1	117.3702	0.282	8	117.4332	1.226	53	117.3650	0.896	247	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	4:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|Cu<4>,1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	117.6620	0.000	1	117.3702	0.282	8	117.4332	1.226	53	117.3650	0.896	247	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	4:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	117.0300	0.000	1	117.3702	0.282	8	117.4332	1.226	53	117.3650	0.896	247	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	4:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	117.3240	0.000	1	117.3702	0.282	8	117.4332	1.226	53	117.3650	0.896	247	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	4:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	117.4650	0.000	1	117.3702	0.282	8	117.4332	1.226	53	117.3650	0.896	247	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	4:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<4>,3|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|Fe<6>,1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	118.0200	0.000	1	117.3702	0.282	8	117.4332	1.226	53	117.3650	0.896	247	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	4:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5]C[5]N[5]O)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6a](C[5]C[5]N[5]O)(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	117.0590	0.000	1	117.0590	0.000	1	117.4332	1.226	53	117.3650	0.896	247	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	4:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	118.0370	0.000	1	118.1680	0.034	2	117.4332	1.226	53	117.3650	0.896	247	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	4:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	118.2990	0.000	1	118.1680	0.034	2	117.4332	1.226	53	117.3650	0.896	247	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	4:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	117.6850	0.000	1	117.6850	0.000	1	117.4332	1.226	53	117.3650	0.896	247	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	4:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	119.3860	0.000	1	119.3860	0.000	1	117.4332	1.226	53	117.3650	0.896	247	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	4:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5]N[5,6]C[5]H)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[5]N[5,6]C[5]H)(C[6a]C[6a]H)(N[6a]C[6a]){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	117.2400	0.000	1	117.3495	0.024	2	117.4332	1.226	53	117.3650	0.896	247	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	4:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5]N[5,6]C[5]H)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[5]N[5,6]C[5]H)(C[6a]C[6a]H)(N[6a]C[6a]){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	117.4590	0.000	1	117.3495	0.024	2	117.4332	1.226	53	117.3650	0.896	247	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	4:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5]N[5,6]N[5]H)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,2|N<3>,3|H<1>}	C[6a](C[5]N[5,6]N[5]H)(C[6a]C[6a]H)(N[6a]C[6a]){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	116.8530	0.000	1	116.8530	0.000	1	117.4332	1.226	53	117.3650	0.896	247	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	4:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|S<2>,3|H<1>}	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	117.3500	0.000	1	117.3500	0.000	1	117.4332	1.226	53	117.3650	0.896	247	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	4:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5]O[5]P[5]H)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,1|P<4>,3|H<1>}	C[6a](C[5]O[5]P[5]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	117.0580	0.000	1	117.0580	0.000	1	117.4332	1.226	53	117.3650	0.896	247	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	4:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:Br-1:	N[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]Br)	C[6a](C[6,6]N[3x6]2H)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]Br){1|C<3>,1|N<3>,1|N<4>,3|H<1>}	C[6a](C[6,6]N[3x6]2H)(C[6a]C[6a]H)(N[6a]C[6a]){1|Br<1>,1|C<3>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br){1|C<3>,1|C<4>,1|H<1>}	116.5550	0.543	2	116.7223	0.231	3	116.7223	0.231	3	117.3650	0.896	247	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	4:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:Br-1:	N[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]Br)	C[6a](C[6,6]N[3x6]2H)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]Br){1|C<3>,2|N<3>,3|H<1>}	C[6a](C[6,6]N[3x6]2H)(C[6a]C[6a]H)(N[6a]C[6a]){1|Br<1>,1|C<3>,1|H<1>,4|C<4>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br){1|C<3>,1|C<4>,1|H<1>}	117.0570	0.000	1	116.7223	0.231	3	116.7223	0.231	3	117.3650	0.896	247	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	4:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)	C[6a](C[6,6]C[6,6,6a]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6,6]C[6,6,6a]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	117.0130	0.000	1	117.1855	0.060	2	117.4098	0.180	5	117.3650	0.896	247	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	4:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)	C[6a](C[6,6]C[6,6,6a]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6,6]C[6,6,6a]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	117.3580	0.000	1	117.1855	0.060	2	117.4098	0.180	5	117.3650	0.896	247	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	4:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)	C[6a](C[6,6]N[3x6]2H)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H){1|C<3>,2|N<3>,3|H<1>}	C[6a](C[6,6]N[3x6]2H)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	117.5593	0.497	3	117.5593	0.247	3	117.4098	0.180	5	117.3650	0.896	247	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	4:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:Br-1:	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)	C[6a](C[6]C[5,6]2H)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6]C[5,6]2H)(C[6a]C[6a]H)(N[6a]C[6a]){1|Br<1>,1|H<1>,2|C<4>,2|O<2>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br){1|C<3>,1|C<4>,1|H<1>}	117.1645	0.258	4	117.1645	0.067	4	117.2297	0.428	10	117.3650	0.896	247	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	4:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:Br-1:	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|Br<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br){1|C<3>,1|C<4>,1|H<1>}	116.9200	0.362	3	117.3190	0.724	4	117.2297	0.428	10	117.3650	0.896	247	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	4:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:Br-1:	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|Br<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br){1|C<3>,1|C<4>,1|H<1>}	118.5160	0.000	1	117.3190	0.724	4	117.2297	0.428	10	117.3650	0.896	247	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	4:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:Br-1:	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)	C[6a](C[6]C[6]N[6]C)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6]C[6]N[6]C)(C[6a]C[6a]H)(N[6a]C[6a]){1|Br<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br){1|C<3>,1|C<4>,1|H<1>}	118.0270	0.000	1	118.0270	0.000	1	117.2297	0.428	10	117.3650	0.896	247	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	4:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:Br-1:	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|Br<1>,1|S<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br){1|C<3>,1|C<4>,1|H<1>}	116.3360	0.000	1	116.3360	0.000	1	117.2297	0.428	10	117.3650	0.896	247	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	4:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:Cl-1:	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)	C[6a](C[6]C[5,6]2H)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6]C[5,6]2H)(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,1|H<1>,2|C<4>,2|O<2>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl){1|C<3>,1|C<4>,1|H<1>}	116.6600	0.000	1	116.6600	0.000	1	116.5760	0.014	2	117.3650	0.896	247	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	4:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:Cl-1:	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl){1|C<3>,1|C<4>,1|H<1>}	116.4920	0.000	1	116.4920	0.000	1	116.5760	0.014	2	117.3650	0.896	247	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	4:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[5,6,6]O[6]H)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6a](C[6]C[5,6,6]O[6]H)(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	116.9070	0.000	1	116.9070	0.000	1	117.2519	0.773	80	117.3650	0.896	247	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	4:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[5,6]2H)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6]C[5,6]2H)(C[6a]C[6a]H)(N[6a]C[6a]){2|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	117.5033	0.229	3	117.5033	0.052	3	117.2519	0.773	80	117.3650	0.896	247	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	4:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	117.9760	0.381	3	117.9760	0.145	3	117.2519	0.773	80	117.3650	0.896	247	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	4:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[5,6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[6]C[5,6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	117.1640	0.000	1	117.1640	0.000	1	117.2519	0.773	80	117.3650	0.896	247	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	4:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[5a,6]N[6]C)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6]C[5a,6]N[6]C)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	117.5030	0.000	1	117.5030	0.000	1	117.2519	0.773	80	117.3650	0.896	247	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	4:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	117.5235	0.288	2	117.5235	0.083	2	117.2519	0.773	80	117.3650	0.896	247	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	4:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]Br)(N[6a]C[6a])	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){2|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]Br)(N[6a]C[6a]){2|H<1>,3|C<3>,3|C<4>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	120.4240	0.122	2	120.4240	0.015	2	117.2519	0.773	80	117.3650	0.896	247	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	4:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]C)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]C)(N[6a]C[6a]){2|H<1>,3|C<3>,3|C<4>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	118.2990	0.091	2	118.2990	0.008	2	117.2519	0.773	80	117.3650	0.896	247	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	4:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,1|H<1>,2|C<3>,4|C<4>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|C<4>}	117.0010	0.243	2	116.9480	0.213	18	117.2519	0.773	80	117.3650	0.896	247	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	4:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,1|H<1>,3|C<3>,3|C<4>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|C<4>}	117.1890	0.455	2	116.9480	0.213	18	117.2519	0.773	80	117.3650	0.896	247	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	4:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|O<2>}	116.5997	0.482	3	116.9480	0.213	18	117.2519	0.773	80	117.3650	0.896	247	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	4:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|S<2>,3|C<3>,3|C<4>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|S<2>}	116.5410	0.266	2	116.9480	0.213	18	117.2519	0.773	80	117.3650	0.896	247	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	4:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,3|C<3>,4|C<4>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,2|C<4>}	116.3370	0.000	1	116.9480	0.213	18	117.2519	0.773	80	117.3650	0.896	247	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	4:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	117.4235	0.363	2	116.9480	0.213	18	117.2519	0.773	80	117.3650	0.896	247	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	4:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>,3|C<4>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	117.1032	0.424	6	116.9480	0.213	18	117.2519	0.773	80	117.3650	0.896	247	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	4:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6]N[6]H)(C[6a]N[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|N<3>,3|H<1>}	C[6a](C[6]C[6,6]N[6]H)(C[6a]N[6a]H)(N[6a]C[6a]){1|H<1>,3|C<3>,3|C<4>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>}	116.0400	0.119	2	116.0400	0.014	2	117.2519	0.773	80	117.3650	0.896	247	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	4:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]N[5,6]H)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6]C[6,6a]N[5,6]H)(C[6a]C[6a]H)(N[6a]C[6a]){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	116.6490	0.000	1	116.6490	0.000	1	117.2519	0.773	80	117.3650	0.896	247	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	4:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6]2Cr)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|Cr<9>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6]C[6]2Cr)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	117.4560	0.000	1	117.0970	0.712	3	117.2519	0.773	80	117.3650	0.896	247	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	4:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6]2Cr)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|Cr<9>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6]C[6]2Cr)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,3|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	116.1330	0.000	1	117.0970	0.712	3	117.2519	0.773	80	117.3650	0.896	247	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	4:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6]2Cr)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|Cr<9>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6]C[6]2Cr)(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	117.7020	0.000	1	117.0970	0.712	3	117.2519	0.773	80	117.3650	0.896	247	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	4:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6]N[6]C)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<4>,2|C<4>,2|H<1>}	C[6a](C[6]C[6]N[6]C)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<4>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	118.2010	0.310	2	118.2010	0.096	2	117.2519	0.773	80	117.3650	0.896	247	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	4:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Br)(N[6a]C[6a])	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){2|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Br)(N[6a]C[6a]){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	119.2610	0.000	1	119.1130	0.044	2	117.2519	0.773	80	117.3650	0.896	247	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	4:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Br)(N[6a]C[6a])	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){2|Br<1>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Br)(N[6a]C[6a]){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	118.9650	0.000	1	119.1130	0.044	2	117.2519	0.773	80	117.3650	0.896	247	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	4:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|Br<1>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|Br<1>,1|C<3>,1|C<4>}	117.1355	0.433	2	116.9385	0.495	22	117.2519	0.773	80	117.3650	0.896	247	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	4:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|S<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	117.0348	0.416	4	116.9385	0.495	22	117.2519	0.773	80	117.3650	0.896	247	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	4:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	117.7775	1.392	2	116.9385	0.495	22	117.2519	0.773	80	117.3650	0.896	247	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	4:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|C<4>}	117.7650	0.000	1	116.9385	0.495	22	117.2519	0.773	80	117.3650	0.896	247	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	4:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|O<2>}	116.5140	0.142	3	116.9385	0.495	22	117.2519	0.773	80	117.3650	0.896	247	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	4:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|S<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|S<2>}	116.7230	0.000	1	116.9385	0.495	22	117.2519	0.773	80	117.3650	0.896	247	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	4:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>,3|C<4>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,2|C<4>}	116.7140	0.000	1	116.9385	0.495	22	117.2519	0.773	80	117.3650	0.896	247	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	4:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|Br<1>,1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|Br<1>,1|C<3>,1|C<4>}	117.7640	0.238	2	116.9385	0.495	22	117.2519	0.773	80	117.3650	0.896	247	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	4:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|C<4>}	117.5520	0.000	1	116.9385	0.495	22	117.2519	0.773	80	117.3650	0.896	247	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	4:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|O<2>}	116.1293	0.038	3	116.9385	0.495	22	117.2519	0.773	80	117.3650	0.896	247	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	4:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|S<2>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|S<2>}	115.9880	0.000	1	116.9385	0.495	22	117.2519	0.773	80	117.3650	0.896	247	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	4:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,3|C<3>,3|C<4>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,2|C<4>}	116.4830	0.000	1	116.9385	0.495	22	117.2519	0.773	80	117.3650	0.896	247	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	4:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6]N[6]H)(C[6a]N[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]N[6a]H)(N[6a]C[6a]){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>}	116.6300	0.000	1	116.4750	0.048	2	117.2519	0.773	80	117.3650	0.896	247	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	4:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6]N[6]H)(C[6a]N[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|N<3>,3|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]N[6a]H)(N[6a]C[6a]){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>}	116.3200	0.000	1	116.4750	0.048	2	117.2519	0.773	80	117.3650	0.896	247	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	4:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6]N[6]O)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6]C[6]N[6]O)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	115.8260	0.000	1	115.8260	0.000	1	117.2519	0.773	80	117.3650	0.896	247	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	4:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	117.1260	0.246	2	117.1260	0.061	2	117.2519	0.773	80	117.3650	0.896	247	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	4:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6a]N[6]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6]C[6a]N[6]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	117.4430	0.268	4	117.4872	0.064	5	117.2519	0.773	80	117.3650	0.896	247	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	4:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6a]N[6]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6]C[6a]N[6]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	117.6640	0.000	1	117.4872	0.064	5	117.2519	0.773	80	117.3650	0.896	247	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	4:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]N[5a,6]C[6]H)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6]N[5a,6]C[6]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	117.1870	0.000	1	117.1870	0.000	1	117.2519	0.773	80	117.3650	0.896	247	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	4:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]N[5a,6]N[6]C)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	C[6a](C[6]N[5a,6]N[6]C)(C[6a]C[6a]H)(N[6a]C[6a]){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	117.8270	0.000	1	117.8270	0.000	1	117.2519	0.773	80	117.3650	0.896	247	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	4:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]N[5a,6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,2|N<3>,3|H<1>}	C[6a](C[6]N[5a,6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a]){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	116.7740	0.000	1	116.7740	0.000	1	117.2519	0.773	80	117.3650	0.896	247	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	4:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]N[6,6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,2|N<3>,3|H<1>}	C[6a](C[6]N[6,6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a]){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	117.6410	0.000	1	117.6410	0.000	1	117.2519	0.773	80	117.3650	0.896	247	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	4:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]O[6]S[6]H)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,1|S<2>,3|H<1>}	C[6a](C[6]O[6]S[6]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	117.3910	0.000	1	117.3910	0.000	1	117.2519	0.773	80	117.3650	0.896	247	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	4:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	P[6,6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]P[6,6]C[6a])(C[6a]C[6a]H)	C[6a](P[6,6]C[3x6]2Pt)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]P[6,6]C[6a])(C[6a]C[6a]H){1|Pt<4>,1|C<3>,2|C<4>,2|H<1>}	C[6a](P[6,6]C[3x6]2Pt)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|H<1>,2|O<2>,5|C<4>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|P<4>}	116.9410	0.892	2	116.9410	0.796	2	116.9410	0.796	2	117.3650	0.896	247	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	4:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	Si[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]Si[6])(C[6a]C[6a]H)	C[6a](Si[6]N[6]2N)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Si[6])(C[6a]C[6a]H){1|C<3>,2|H<1>,3|N<3>}	C[6a](Si[6]N[6]2N)(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<3>,5|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|Si<4>,1|C<3>,1|N<3>}	115.3320	0.000	1	116.5095	2.773	2	116.5095	2.773	2	117.3650	0.896	247	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	4:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	Si[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]Si[6])(C[6a]C[6a]H)	C[6a](Si[6]N[6]2N)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Si[6])(C[6a]C[6a]H){1|C<3>,2|H<1>,3|N<3>}	C[6a](Si[6]N[6]2N)(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|Si<4>,1|C<3>,1|H<1>}	117.6870	0.000	1	116.5095	2.773	2	116.5095	2.773	2	117.3650	0.896	247	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	4:3:2:	3:2:3:	C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a,6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-3:	N[6a](C[6a]C[6a,6a]C[5,6])(C[6a]C[6a]C)	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a,6a]C[5,6])(C[6a]C[6a]C){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]){3|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(COO){1|C<4>,2|C<3>}	118.6265	0.175	2	118.6265	0.031	2	118.6265	0.031	2	118.3795	0.067	6	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	4:3:2:	3:2:3:	C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]N)	C[6a](C[5]C[5]2Fe)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]N){1|Fe<10>,1|C<2>,1|C<3>,1|H<1>,2|C<4>}	C[6a](C[5]C[5]2Fe)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH){1|C<4>,2|C<3>}	118.3140	0.202	3	118.3140	0.041	3	118.2560	0.041	4	118.3795	0.067	6	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	4:3:2:	3:2:3:	C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]N)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]N){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC){1|C<3>,1|C<4>,1|H<1>}	118.0820	0.000	1	118.0820	0.000	1	118.2560	0.041	4	118.3795	0.067	6	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	4:3:2:	3:2:4:	C[6a]-3:C[6a]-3:	As-4:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]As)(C[6a]C[6a]C)	C[6a](AsC[6a]C[6]O)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]As)(C[6a]C[6a]C){1|C<3>,2|H<1>}	C[6a](AsC[6a]C[6]O)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|As<4>,1|C<3>,1|H<1>}	117.1052	0.935	4	117.1052	0.875	4	117.1052	0.875	4	118.3582	1.178	18	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	4:3:2:	3:2:4:	C[6a]-3:C[6a]-3:	C-4:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)2	C[6a](CC[5x3,5x5,20x6]HO)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](CC[5x3,5x5,20x6]HO)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|C<4>,1|H<1>}	118.8560	0.000	1	118.8560	0.000	1	118.8560	0.000	1	118.3582	1.178	18	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	4:3:2:	3:2:4:	C[6a]-3:C[6a]-3:	C[4,6,6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[4,6,6]C[6a])(C[6a]C[6a]C)	C[6a](C[4,6,6]Ge[4,6,6]Ge[3x6]P[4])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHP)	N[6a](C[6a]C[4,6,6]C[6a])(C[6a]C[6a]C){2|Ge<3>,1|C<3>,1|P<4>,2|H<1>}	C[6a](C[4,6,6]Ge[4,6,6]Ge[3x6]P[4])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|H<1>,3|N<3>,4|C<4>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHP){1|C<3>,1|C<4>,1|H<1>}	119.4640	0.000	1	119.4640	0.000	1	119.4640	0.000	1	118.3582	1.178	18	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	4:3:2:	3:2:4:	C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)	C[6a](C[5]C[5]2Fe)(C[6a]C[6a]O)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C){1|Fe<10>,1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6a](C[5]C[5]2Fe)(C[6a]C[6a]O)(N[6a]C[6a]){1|C<3>,3|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|C<4>,1|H<1>}	120.0170	0.000	1	120.0170	0.000	1	118.6825	0.817	4	118.3582	1.178	18	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	4:3:2:	3:2:4:	C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,2|C<4>,4|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3){1|C<4>,2|C<3>}	118.0140	0.000	1	118.0140	0.000	1	118.6825	0.817	4	118.3582	1.178	18	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	4:3:2:	3:2:4:	C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)	C[6a](C[5]N[5,6]C[6a]C[5])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5]N[5,6]C[6a]C[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|Au<2>,1|C<4>,1|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|C<4>,1|H<1>}	118.3495	0.033	2	118.3495	0.001	2	118.6825	0.817	4	118.3582	1.178	18	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	4:3:2:	3:2:4:	C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]C)	C[6a](C[6,6]C[6,6,6a]C[6,6]C[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC3)	N[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]C){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6]C[6,6,6a]C[6,6]C[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC3){1|C<3>,1|C<4>,1|H<1>}	119.9320	0.076	2	119.9320	0.006	2	119.9320	0.006	2	118.3582	1.178	18	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	4:3:2:	3:2:4:	C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C){1|C<3>,1|C<4>,1|N<4>,3|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,3|C<4>,5|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|C<4>,1|H<1>}	118.8090	0.000	1	118.8090	0.000	1	118.8090	0.000	1	118.3582	1.178	18	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	4:3:2:	3:2:4:	C[6a]-3:C[6a]-3:	P-4:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]P)	C[6a](PC[6a]C[6]Mo)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]P){1|C<3>,2|H<1>}	C[6a](PC[6a]C[6]Mo)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|H<1>,1|P<4>}	117.7460	0.762	2	117.7460	0.581	2	117.7460	0.581	2	118.3582	1.178	18	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	4:3:2:	3:2:4:	C[6a]-3:C[6a]-3:	P[6,6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]P[6,6]C[6a])(C[6a]C[6a]C)	C[6a](P[6,6]C[3x6]2Pt)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]P[6,6]C[6a])(C[6a]C[6a]C){1|Pt<4>,1|C<3>,2|C<4>,2|H<1>}	C[6a](P[6,6]C[3x6]2Pt)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|H<1>,2|O<2>,5|C<4>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|H<1>,1|P<4>}	117.9230	0.000	1	117.9230	0.000	1	117.9230	0.000	1	118.3582	1.178	18	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	4:3:2:	3:2:4:	C[6a]-3:C[6a]-3:	Si-4:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]Si)(C[6a]C[6a]C)	C[6a](SiC[6a]C[6]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]Si)(C[6a]C[6a]C){1|C<3>,2|H<1>}	C[6a](SiC[6a]C[6]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|Si<4>,1|C<3>,1|H<1>}	118.4445	0.272	2	118.4445	0.074	2	118.4445	0.074	2	118.3582	1.178	18	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	4:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|S<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,3|C<3>,3|H<1>}	118.4680	0.000	1	118.4680	0.000	1	118.4680	0.000	1	118.4680	0.000	1	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	4:3:2:	4:3:2:	C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:N[6a]-2:	C[5,5]-4:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[5,5]C[6a])2	C[6a](C[5,5]N[5,5]C[5]O[5])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[5,5]N[5,5]C[5]O[5])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5,5]C[6a])2{1|C<3>,2|C<4>,2|H<1>,2|N<3>,2|O<2>}	C[6a](C[5,5]N[5,5]C[5]O[5])(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,3|H<1>,4|C<4>}	C[6a](C[5,5]N[5,5]C[5]O[5])(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,3|H<1>,4|C<4>}	118.5460	0.375	2	118.5460	0.140	2	118.5460	0.140	2	118.1380	0.358	6	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	4:3:2:	4:3:2:	C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[6a]-2:	C[5]-4:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]C[5])2	C[6a](C[5]C[5]2Fe)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[5]C[5]2Fe)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[5])2{2|Fe<10>,1|C<3>,2|H<1>,4|C<4>}	C[6a](C[5]C[5]2Fe)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,2|H<1>,4|C<4>}	C[6a](C[5]C[5]2Fe)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,2|H<1>,4|C<4>}	118.4700	0.000	1	118.4700	0.000	1	118.4605	0.000	2	118.1380	0.358	6	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	4:3:2:	4:3:2:	C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[6a]-2:	C[5]-4:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]C[5])2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[5])2{1|C<3>,2|C<4>,2|N<4>,4|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,3|C<4>,5|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,3|C<4>,5|H<1>}	118.4510	0.000	1	118.4510	0.000	1	118.4605	0.000	2	118.1380	0.358	6	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	4:3:2:	4:3:2:	C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:N[6a]-2:	C[6]-4:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]C[6])2	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])2{4|H<1>,5|C<3>}	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,5|C<3>}	117.2630	0.000	1	117.2630	0.000	1	117.4075	0.042	2	118.1380	0.358	6	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	4:3:2:	4:3:2:	C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:N[6a]-2:	C[6]-4:C[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]C[6])2	C[6a](C[6]N[5,6]N[6]C)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6]N[5,6]N[6]C)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])2{1|C<3>,2|C<4>,2|H<1>,4|N<3>}	C[6a](C[6]N[5,6]N[6]C)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6]N[5,6]N[6]C)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	117.5520	0.000	1	117.5520	0.000	1	117.4075	0.042	2	118.1380	0.358	6	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	5:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[3]-5:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)	C[6a](C[3]C[3]H[3]CN)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|C<5>,1|H<2>,1|N<2>,2|H<1>}	C[6a](C[3]C[3]H[3]CN)(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<5>,1|H<1>}	118.0000	0.000	1	118.0000	0.000	1	118.0000	0.000	1	117.8460	0.047	2	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	5:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[3x3,3x5,12x6]-5:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[3x3,3x5,12x6]C[6a])(C[6a]C[6a]H)	C[6a](C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[3x3,3x5,12x6]C[6a])(C[6a]C[6a]H){1|B<5>,1|C<3>,1|C<5>,2|B<6>,2|H<1>}	C[6a](C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|S<2>,2|B<5>,3|B<6>,5|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<5>,1|H<1>}	117.6920	0.000	1	117.6920	0.000	1	117.6920	0.000	1	117.8460	0.047	2	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	5:3:2:	3:2:2:	C[6a]-3:C[6a]-3:	C[3x3,4,3x5,14x6]-5:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:N[6a]-2:	N[6a](C[6a]C[3x3,4,3x5,14x6]C[6a])(C[6a]C[6a]N[6a])	C[6a](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a]N[6a])(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(N[6a]N[6a])	N[6a](C[6a]C[3x3,4,3x5,14x6]C[6a])(C[6a]C[6a]N[6a]){2|C<3>,2|N<2>,4|B<6>}	C[6a](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a]N[6a])(N[6a]C[6a]){1|C<5>,1|N<2>,3|C<3>,4|H<1>,5|B<6>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(N[6a]N[6a]){1|C<5>,1|H<1>,3|C<3>}	117.6400	0.000	1	117.6400	0.000	1	117.6400	0.000	1	117.6400	0.000	1	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	6:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	B[5x3,5x5,20x6]-6:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]B[5x3,5x5,20x6]C[6a])(C[6a]C[6a]H)	C[6a](B[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]B[5x3,5x5,20x6]C[6a])(C[6a]C[6a]H){1|C<3>,2|H<1>,5|B<6>}	C[6a](B[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,2|C<6>,3|B<6>,6|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|B<6>,1|C<3>,1|C<4>}	117.0340	0.000	1	117.0340	0.000	1	117.0340	0.000	1	117.0421	0.437	8	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	6:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[5x3,5x5,20x6]-6:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[5x3,5x5,20x6]C[6a])(C[6a]C[6a]H)	C[6a](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	N[6a](C[6a]C[5x3,5x5,20x6]C[6a])(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|C<6>,1|H<1>,4|B<6>}	C[6a](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,5|B<6>,7|H<1>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|C<3>,1|C<6>,1|H<1>}	117.6940	0.000	1	117.6940	0.000	1	117.0433	0.510	7	117.0421	0.437	8	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	6:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[5x3,5x5,20x6]-6:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[5x3,5x5,20x6]C[6a])(C[6a]C[6a]H)	C[6a](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5x3,5x5,20x6]C[6a])(C[6a]C[6a]H){1|C<3>,1|C<6>,2|H<1>,4|B<6>}	C[6a](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,1|O<2>,5|B<6>,5|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<6>,1|H<1>}	116.7460	1.188	2	116.9348	0.513	6	117.0433	0.510	7	117.0421	0.437	8	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	6:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[5x3,5x5,20x6]-6:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[5x3,5x5,20x6]C[6a])(C[6a]C[6a]H)	C[6a](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5x3,5x5,20x6]C[6a])(C[6a]C[6a]H){1|C<3>,1|C<6>,2|H<1>,4|B<6>}	C[6a](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|O<2>,5|B<6>,6|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<6>,1|H<1>}	116.8865	0.774	2	116.9348	0.513	6	117.0433	0.510	7	117.0421	0.437	8	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	6:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[5x3,5x5,20x6]-6:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[5x3,5x5,20x6]C[6a])(C[6a]C[6a]H)	C[6a](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5x3,5x5,20x6]C[6a])(C[6a]C[6a]H){1|C<3>,1|C<6>,2|H<1>,4|B<6>}	C[6a](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,5|B<6>,7|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<6>,1|H<1>}	116.7450	0.000	1	116.9348	0.513	6	117.0433	0.510	7	117.0421	0.437	8	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	6:3:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[5x3,5x5,20x6]-6:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[5x3,5x5,20x6]C[6a])(C[6a]C[6a]H)	C[6a](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5x3,5x5,20x6]C[6a])(C[6a]C[6a]H){1|C<3>,1|C<6>,2|H<1>,4|B<6>}	C[6a](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|C<3>,5|B<6>,5|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<6>,1|H<1>}	117.5990	0.000	1	116.9348	0.513	6	117.0433	0.510	7	117.0421	0.437	8	116.7920	3.118	22002	116.9184	2.813	27983
371	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:	7:3:2:	3:2:2:	C[6a]-3:C[6a]-3:	C[3]-7:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:N-2:	N[6a](C[6a]C[6a]C[3])(C[6a]C[6a]N)	C[6a](C[3]H[3]2H4)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC)	N[6a](C[6a]C[6a]C[3])(C[6a]C[6a]N){1|C<3>,2|H<2>,6|H<1>}	C[6a](C[3]H[3]2H4)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC){1|C<3>,1|C<4>,1|C<7>}	117.9480	0.000	1	117.9480	0.000	1	117.9480	0.000	1	117.9480	0.000	1	116.7920	3.118	22002	116.9184	2.813	27983