727	181	992	0:SP2_SP2_SP3	C[5a]	S[5a]	P	2:2:4:	3:3:	3:3:3:1:	N[5a]-2:S[5a]-2:P-4:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:O-1:	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(PC[6a]2O)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]P)	P(C[5a]N[5a]S[5a])(C[6a]C[6a]2)2(O)	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(PC[6a]2O){2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]P){1|H<1>,2|C<3>}	P(C[5a]N[5a]S[5a])(C[6a]C[6a]2)2(O)	116.9070	0.000	1	116.9070	0.000	1	116.9070	0.000	1	117.6370	1.066	2	120.9279	7.735	27	120.9279	7.735	27
727	181	992	0:SP2_SP2_SP3	C[5a]	S[5a]	P	2:2:4:	3:3:	3:3:3:1:	N[5a]-2:S[5a]-2:P-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:O-1:	C[5a](N[5a]C[5a])(S[5a]C[5a])(PC[6a]2O)	S[5a](C[5a]C[5a]H)(C[5a]N[5a]P)	P(C[5a]N[5a]S[5a])(C[6a]C[6a]2)2(O)	C[5a](N[5a]C[5a])(S[5a]C[5a])(PC[6a]2O){2|H<1>}	S[5a](C[5a]C[5a]H)(C[5a]N[5a]P){1|H<1>}	P(C[5a]N[5a]S[5a])(C[6a]C[6a]2)2(O)	118.3670	0.000	1	118.3670	0.000	1	118.3670	0.000	1	117.6370	1.066	2	120.9279	7.735	27	120.9279	7.735	27
727	181	992	0:SP2_SP2_SP3	C[5a]	S[5a]	P	2:2:4:	3:3:	3:3:3:2:	N[5a]-2:S[5a]-2:P-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:N-2:	C[5a](N[5a]N[5a])(S[5a]C[5a])(PC[6a]2N)	S[5a](C[5a]N[5a]N)(C[5a]N[5a]P)	P(C[5a]N[5a]S[5a])(C[6a]C[6a]2)2(NP)	C[5a](N[5a]N[5a])(S[5a]C[5a])(PC[6a]2N){1|N<3>}	S[5a](C[5a]N[5a]N)(C[5a]N[5a]P)	P(C[5a]N[5a]S[5a])(C[6a]C[6a]2)2(NP)	119.6250	0.000	1	119.6250	0.000	1	119.6250	0.000	1	119.6250	0.000	1	120.9279	7.735	27	120.9279	7.735	27
727	181	992	0:SP2_SP2_SP3	C[5a]	S[5a]	P	3:2:4:	3:3:	3:2:2:1:	C[5a]-3:S[5a]-2:P-4:	C[5a]-3:C[5a]-3:	C[5a]-3:O-2:O-2:O-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(PO3)	S[5a](C[5a]C[5a]2)(C[5a]C[5a]P)	P(C[5a]C[5a]S[5a])(OC[6a])2(O)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(PO3){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]P){1|C<3>,1|S<2>,2|H<1>}	P(C[5a]C[5a]S[5a])(OC[6a])2(O)	121.8720	0.000	1	121.8720	0.000	1	122.0387	0.116	3	121.3383	2.040	4	120.9279	7.735	27	120.9279	7.735	27
727	181	992	0:SP2_SP2_SP3	C[5a]	S[5a]	P	3:2:4:	3:3:	3:2:2:1:	C[5a]-3:S[5a]-2:P-4:	C[5a]-3:C[5a]-3:	C[5a]-3:O-2:O-2:O-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(PO3)	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]P)	P(C[5a]C[5a]S[5a])(OC)2(O)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(PO3){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]P){2|C<3>,2|H<1>}	P(C[5a]C[5a]S[5a])(OC)2(O)	122.4310	0.000	1	122.4310	0.000	1	122.0387	0.116	3	121.3383	2.040	4	120.9279	7.735	27	120.9279	7.735	27
727	181	992	0:SP2_SP2_SP3	C[5a]	S[5a]	P	3:2:4:	3:3:	3:2:2:1:	C[5a]-3:S[5a]-2:P-4:	C[5a]-3:C[5a]-3:	C[5a]-3:O-2:O-2:O-1:	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(PO3)	S[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]P)	P(C[5a]C[5a]S[5a])(OC)2(O)	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(PO3){1|C<3>}	S[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]P){1|C<4>,2|C<3>}	P(C[5a]C[5a]S[5a])(OC)2(O)	121.8130	0.000	1	121.8130	0.000	1	122.0387	0.116	3	121.3383	2.040	4	120.9279	7.735	27	120.9279	7.735	27
727	181	992	0:SP2_SP2_SP3	C[5a]	S[5a]	P	3:2:4:	3:3:	3:2:2:1:	C[5a]-3:S[5a]-2:P-4:	C[5a]-3:C[5a]-3:	C[5a]-3:O-2:O-2:Se-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(PSeOO)	S[5a](C[5a]C[5a]2)(C[5a]C[5a]P)	P(C[5a]C[5a]S[5a])(OC[6a])2(Se)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(PSeOO){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]P){1|C<3>,1|S<2>,2|H<1>}	P(C[5a]C[5a]S[5a])(OC[6a])2(Se)	119.2370	0.000	1	119.2370	0.000	1	119.2370	0.000	1	121.3383	2.040	4	120.9279	7.735	27	120.9279	7.735	27
727	181	992	0:SP2_SP2_SP3	C[5a]	S[5a]	P	3:2:4:	3:3:	3:3:3:1:	C[5a]-3:S[5a]-2:P-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[5a]-3:Cl-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(PC[5a]2Cl)	S[5a](C[5a]C[5a]H)(C[5a]C[5a]P)	P(C[5a]C[5a]S[5a])3(Cl)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(PC[5a]2Cl){2|H<1>}	S[5a](C[5a]C[5a]H)(C[5a]C[5a]P){2|H<1>}	P(C[5a]C[5a]S[5a])3(Cl)	121.4463	1.135	3	121.4463	1.288	3	121.4463	1.288	3	121.1201	6.973	11	120.9279	7.735	27	120.9279	7.735	27
727	181	992	0:SP2_SP2_SP3	C[5a]	S[5a]	P	3:2:4:	3:3:	3:3:3:1:	C[5a]-3:S[5a]-2:P-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[5a]-3:O-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(PC[5a]2O)	S[5a](C[5a]C[5a]Br)(C[5a]C[5a]P)	P(C[5a]C[5a]S[5a])3(O)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(PC[5a]2O){1|Br<1>,1|H<1>}	S[5a](C[5a]C[5a]Br)(C[5a]C[5a]P){2|H<1>}	P(C[5a]C[5a]S[5a])3(O)	122.5213	2.093	3	122.5213	4.380	3	122.5213	4.380	3	121.1201	6.973	11	120.9279	7.735	27	120.9279	7.735	27
727	181	992	0:SP2_SP2_SP3	C[5a]	S[5a]	P	3:2:4:	3:3:	3:3:3:1:	C[5a]-3:S[5a]-2:P-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:O-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(PC[6a]2O)	S[5a](C[5a]C[5a]2)(C[5a]C[5a]P)	P(C[5a]C[5a]S[5a])(C[6a]C[6a]2)2(O)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(PC[6a]2O){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]P){1|C<3>,1|S<2>,2|H<1>}	P(C[5a]C[5a]S[5a])(C[6a]C[6a]2)2(O)	119.1745	5.393	2	119.1745	29.086	2	119.1745	29.086	2	121.1201	6.973	11	120.9279	7.735	27	120.9279	7.735	27
727	181	992	0:SP2_SP2_SP3	C[5a]	S[5a]	P	3:2:4:	3:3:	3:3:3:1:	C[5a]-3:S[5a]-2:P-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:S-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(PC[6a]2S)	S[5a](C[5a]B[5a]C[5a])(C[5a]C[5a]P)	P(C[5a]C[5a]S[5a])(C[6a]C[6a]2)2(S)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(PC[6a]2S){1|B<3>,1|H<1>}	S[5a](C[5a]B[5a]C[5a])(C[5a]C[5a]P){2|H<1>,2|N<3>}	P(C[5a]C[5a]S[5a])(C[6a]C[6a]2)2(S)	120.4850	0.000	1	120.4850	0.000	1	120.4850	0.000	1	121.1201	6.973	11	120.9279	7.735	27	120.9279	7.735	27
727	181	992	0:SP2_SP2_SP3	C[5a]	S[5a]	P	3:2:4:	3:3:	3:3:3:1:	C[5a]-3:S[5a]-2:P-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:Se-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(PC[6a]2Se)	S[5a](C[5a]C[5a]2)(C[5a]C[5a]P)	P(C[5a]C[5a]S[5a])(C[6a]C[6a]2)2(Se)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(PC[6a]2Se){1|C<3>,1|H<1>}	S[5a](C[5a]C[5a]2)(C[5a]C[5a]P){1|C<3>,1|S<2>,2|H<1>}	P(C[5a]C[5a]S[5a])(C[6a]C[6a]2)2(Se)	120.7920	3.861	2	120.7920	14.906	2	120.7920	14.906	2	121.1201	6.973	11	120.9279	7.735	27	120.9279	7.735	27
727	181	992	0:SP2_SP2_SP3	C[5a]	S[5a]	P	3:2:4:	3:3:	3:3:3:3:	C[5a]-3:S[5a]-2:P-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(PC[5a]3)	S[5a](C[5a]C[5a]H)(C[5a]C[5a]P)	P(C[5a]C[5a]S[5a])4	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(PC[5a]3){2|H<1>}	S[5a](C[5a]C[5a]H)(C[5a]C[5a]P){2|H<1>}	P(C[5a]C[5a]S[5a])4	121.8678	1.433	4	121.8678	2.053	4	121.8678	2.053	4	121.8678	2.053	4	120.9279	7.735	27	120.9279	7.735	27
727	181	992	0:SP2_SP2_SP3	C[5a]	S[5a]	P	3:2:4:	3:3:	3:4:1:1:	C[5a]-3:S[5a]-2:P-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C-4:H-1:O-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(PCHO)	S[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]P)	P(C[5a]C[5a]S[5a])(CC3)(H)(O)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(PCHO){1|H<1>,1|N<3>}	S[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]P){2|C<3>,2|H<1>}	P(C[5a]C[5a]S[5a])(CC3)(H)(O)	123.7390	0.000	1	123.7390	0.000	1	123.7390	0.000	1	123.7390	0.000	1	120.9279	7.735	27	120.9279	7.735	27
727	181	992	0:SP2_SP2_SP3	C[5a]	S[5a]	P	3:2:4:	3:3:	3:4:4:4:	C[5a]-3:S[5a]-2:P-4:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6]-4:C[6]-4:B-4:	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(PC[6]2B)	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]P)	P(C[5a]C[5a]S[5a])(C[6]C[6]2H)2(BH3)	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(PC[6]2B){2|C<3>}	S[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]P){2|C<3>,2|H<1>}	P(C[5a]C[5a]S[5a])(C[6]C[6]2H)2(BH3)	124.6660	2.082	2	124.6660	4.334	2	124.6660	4.334	2	120.3175	26.895	4	120.9279	7.735	27	120.9279	7.735	27
727	181	992	0:SP2_SP2_SP3	C[5a]	S[5a]	P	3:2:4:	3:3:	3:4:4:4:	C[5a]-3:S[5a]-2:P-4:	C[5a]-3:C[5a]-3:	C[5a]-3:B-4:C-4:C-4:	C[5a](C[5a]C[5a]Br)(S[5a]C[5a])(PBCC)	S[5a](C[5a]C[5a]H)(C[5a]C[5a]P)	P(C[5a]C[5a]S[5a])(BH3)(CC3)(CH3)	C[5a](C[5a]C[5a]Br)(S[5a]C[5a])(PBCC){1|Br<1>,1|H<1>}	S[5a](C[5a]C[5a]H)(C[5a]C[5a]P){2|Br<1>}	P(C[5a]C[5a]S[5a])(BH3)(CC3)(CH3)	115.3720	0.000	1	115.3720	0.000	1	115.3720	0.000	1	120.3175	26.895	4	120.9279	7.735	27	120.9279	7.735	27
727	181	992	0:SP2_SP2_SP3	C[5a]	S[5a]	P	3:2:4:	3:3:	3:4:4:4:	C[5a]-3:S[5a]-2:P-4:	C[5a]-3:C[5a]-3:	C[5a]-3:C-4:B-4:C-4:	C[5a](C[5a]C[5a]Br)(S[5a]C[5a])(PBCC)	S[5a](C[5a]C[5a]H)(C[5a]C[5a]P)	P(C[5a]C[5a]S[5a])(CBrHH)(BH3)(CC3)	C[5a](C[5a]C[5a]Br)(S[5a]C[5a])(PBCC){2|H<1>}	S[5a](C[5a]C[5a]H)(C[5a]C[5a]P){1|Br<1>,1|H<1>}	P(C[5a]C[5a]S[5a])(CBrHH)(BH3)(CC3)	116.5660	0.000	1	116.5660	0.000	1	116.5660	0.000	1	120.3175	26.895	4	120.9279	7.735	27	120.9279	7.735	27
727	181	997	0:SP2_SP2_SP3	C[5,5a]	S[5a]	Se[5]	3:2:2:	3:3:	3:3:	C[5,5a]-3:S[5a]-2:Se[5]-2:	C[5,5a]-3:C[5,5a]-3:	C[5,5a]-3:C[5,6a]-3:	C[5,5a](C[5,5a]C[5,5a]C[5,6a])(S[5a]C[5,5a])(Se[5]C[5,6a])	S[5a](C[5,5a]C[5,5a]Se[5])2	Se[5](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[5,6a]C[6a])	C[5,5a](C[5,5a]C[5,5a]C[5,6a])(S[5a]C[5,5a])(Se[5]C[5,6a]){1|Se<2>,3|C<3>}	S[5a](C[5,5a]C[5,5a]Se[5])2{4|C<3>}	Se[5](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[5,6a]C[6a]){1|H<1>,4|C<3>}	129.7600	0.470	2	129.7600	0.220	2	129.7600	0.220	2	128.0340	28.511	6	128.0340	28.511	6	128.0340	28.511	6
727	181	997	0:SP2_SP2_SP3	C[5,5a]	S[5a]	Se[5]	3:2:2:	3:3:	3:3:	C[5,5a]-3:S[5a]-2:Se[5]-2:	C[5,5a]-3:C[5,5a]-3:	C[5,5a]-3:C[5]-3:	C[5,5a](C[5,5a]C[5,5a]C[5])(S[5a]C[5,5a])(Se[5]C[5])	S[5a](C[5,5a]C[5,5a]Se[5])2	Se[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5]Si)	C[5,5a](C[5,5a]C[5,5a]C[5])(S[5a]C[5,5a])(Se[5]C[5]){1|Se<2>,1|Si<4>,1|C<3>,1|H<1>}	S[5a](C[5,5a]C[5,5a]Se[5])2{4|C<3>}	Se[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5]Si){1|H<1>,2|C<3>}	132.8615	0.155	2	132.8615	0.024	2	132.8615	0.024	2	128.0340	28.511	6	128.0340	28.511	6	128.0340	28.511	6
727	181	997	0:SP2_SP2_SP3	C[5,5a]	S[5a]	Se[5]	3:2:2:	3:3:	3:3:	C[5,5a]-3:S[5a]-2:Se[5]-2:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5]-3:	C[5,5a](C[5,5a]S[5a]Se[5])(S[5a]C[5a])(Se[5]C[5])	S[5a](C[5,5a]C[5,5a]Se[5])(C[5a]S[5a]O)	Se[5](C[5,5a]C[5,5a]S[5a])(C[5]Se[5]C[5])	C[5,5a](C[5,5a]S[5a]Se[5])(S[5a]C[5a])(Se[5]C[5]){1|C<3>,1|O<1>}	S[5a](C[5,5a]C[5,5a]Se[5])(C[5a]S[5a]O){1|Se<2>,1|C<3>}	Se[5](C[5,5a]C[5,5a]S[5a])(C[5]Se[5]C[5]){2|Se<2>,1|C<3>,1|S<2>}	121.4805	1.961	2	121.4805	3.845	2	121.4805	3.845	2	128.0340	28.511	6	128.0340	28.511	6	128.0340	28.511	6
727	206	519	0:SP2_SP1_SP2	C[5a,6]	C[6]	N[5a]	3:2:2:	3:2:	3:3:	C[5a,6]-3:N[5a]-2:C[6]-2:	C[5a,6]-3:C[6]-2:	C[5a,6]-3:C[5a]-3:	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(C[6]C[6])	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6])	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(C[6]C[6]){1|C<3>,1|C<4>,1|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]){1|C<2>,1|C<3>,1|H<1>,1|N<3>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C){1|H<1>,2|C<2>}	131.8160	0.000	1	131.8160	0.000	1	131.8160	0.000	1	131.8160	0.000	1	131.8420	0.001	2	131.8420	0.001	2
727	206	519	0:SP2_SP1_SP2	C[5a,6]	C[6]	N[5a]	3:2:2:	3:3:	3:3:	C[5a,6]-3:N[5a]-2:C[6]-2:	C[5a,6]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(C[6]C[6])	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C[6])	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(C[6]C[6]){1|Zn<5>,2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H){1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C[6]){1|Zn<5>,1|N<3>,3|C<3>}	131.8680	0.000	1	131.8680	0.000	1	131.8680	0.000	1	131.8680	0.000	1	131.8420	0.001	2	131.8420	0.001	2
727	206	727	0:SP2_SP1_SP2	C[5a,6]	C[6]	C[5a,6]	3:3:2:	3:2:	3:3:2:	C[5a,6]-3:C[5a,6]-3:C[6]-2:	C[5a,6]-3:C[6]-2:	N[5a,6,6]-3:C[5a,6]-3:N[6]-2:	C[5a,6](C[5a,6]N[5a,6,6]N[6])(C[5a,6]C[5a,6]C[6])(C[6]C[6])	C[6](C[5a,6]C[5a,6]2)(C[6]C[6])	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6]C[5a,6]C[6])(N[6]C[5a,6])	C[5a,6](C[5a,6]N[5a,6,6]N[6])(C[5a,6]C[5a,6]C[6])(C[6]C[6]){1|B<4>,1|C<2>,1|C<3>,1|N<2>}	C[6](C[5a,6]C[5a,6]2)(C[6]C[6]){1|C<2>,1|C<3>,1|N<2>,1|N<3>}	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6]C[5a,6]C[6])(N[6]C[5a,6]){1|C<3>,1|N<2>,2|N<3>,3|C<2>}	132.0135	0.434	11	132.0135	0.188	11	132.0135	0.188	11	132.0135	0.188	11	132.0135	0.188	11	130.4886	17.659	14
727	206	727	0:SP2_SP1_SP2	C[5a,6]	C[6]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6,6a]-3:C[5a,6a]-3:C[6]-2:	C[5a,6]-3:C[6,6a]-3:	C[5,6a]-3:C[5a,6a,6a]-3:C[5a,6]-3:	C[5a,6](C[5a,6,6a]C[5a,6a,6a]C[5,6,6a])(C[5a,6a]C[5a,6a,6a]C[5,6a])(C[6]C[6,6a])	C[6](C[5a,6]C[5a,6,6a]C[5a,6a])(C[6,6a]C[5,6,6a]C[6a,6a])	C[5a,6a](C[5,6a]C[5,6a,6a]C[5,6])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5a,6]C[5a,6,6a]C[6])	C[5a,6](C[5a,6,6a]C[5a,6a,6a]C[5,6,6a])(C[5a,6a]C[5a,6a,6a]C[5,6a])(C[6]C[6,6a]){7|C<3>}	C[6](C[5a,6]C[5a,6,6a]C[5a,6a])(C[6,6a]C[5,6,6a]C[6a,6a]){7|C<3>}	C[5a,6a](C[5,6a]C[5,6a,6a]C[5,6])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5a,6]C[5a,6,6a]C[6]){1|C<2>,7|C<3>}	121.8410	0.000	1	121.8410	0.000	1	120.7000	2.604	2	120.7000	2.604	2	120.7000	2.604	2	130.4886	17.659	14
727	206	727	0:SP2_SP1_SP2	C[5a,6]	C[6]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6,6a]-3:C[5a,6a]-3:C[6]-2:	C[5a,6]-3:C[6,6a]-3:	C[5,6a]-3:C[5a,6a,6a]-3:C[5a,6]-3:	C[5a,6](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5a,6a]C[5a,6a,6a]C[5,6a])(C[6]C[6,6a])	C[6](C[5a,6]C[5a,6,6a]C[5a,6a])(C[6,6a]C[5a,6,6a]C[6a,6a])	C[5a,6a](C[5,6a]C[5,6a,6a]C[5,6])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5a,6]C[5a,6,6a]C[6])	C[5a,6](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5a,6a]C[5a,6a,6a]C[5,6a])(C[6]C[6,6a]){7|C<3>}	C[6](C[5a,6]C[5a,6,6a]C[5a,6a])(C[6,6a]C[5a,6,6a]C[6a,6a]){7|C<3>}	C[5a,6a](C[5,6a]C[5,6a,6a]C[5,6])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5a,6]C[5a,6,6a]C[6]){1|C<2>,7|C<3>}	119.5590	0.000	1	119.5590	0.000	1	120.7000	2.604	2	120.7000	2.604	2	120.7000	2.604	2	130.4886	17.659	14
727	206	727	0:SP2_SP1_SP2	C[5a,6]	C[6]	C[5a]	3:3:2:	3:3:	3:3:4:	C[5a,6]-3:C[5a]-3:C[6]-2:	C[5a,6]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C)(C[6]C[6])	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(CC[5a]CH)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]){1|C<3>,4|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(CC[5a]CH){1|H<1>,2|C<3>}	133.2930	0.000	1	133.2930	0.000	1	133.2930	0.000	1	133.2930	0.000	1	133.2930	0.000	1	130.4886	17.659	14
727	206	727	6:SP2_SP1_SP2	C[5a,6]	C[6]	C[5a,6,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6,6a]-3:C[5a,6a]-3:C[6]-2:	C[5a,6]-3:C[6,6a]-3:	C[5a,6,6a]-3:C[5a,6a,6a]-3:C[5a,6]-3:	C[5a,6](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5a,6a]C[5a,6a,6a]C[5,6a])(C[6]C[6,6a])	C[6](C[5a,6]C[5a,6,6a]C[5a,6a])(C[6,6a]C[5a,6,6a]C[6a,6a])	C[5a,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5a,6]C[5a,6a]C[6])	C[5a,6](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5a,6a]C[5a,6a,6a]C[5,6a])(C[6]C[6,6a]){7|C<3>}	C[6](C[5a,6]C[5a,6,6a]C[5a,6a])(C[6,6a]C[5a,6,6a]C[6a,6a]){7|C<3>}	C[5a,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[5a,6]C[5a,6a]C[6]){7|C<3>}	117.2490	0.000	1	117.2490	0.000	1	117.2490	0.000	1	117.7380	0.478	2	117.7380	0.478	2	120.8894	2.204	21
727	206	727	6:SP2_SP1_SP2	C[5a,6]	C[6]	C[5a,6,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6,6a]-3:C[5a,6a]-3:C[6]-2:	C[5a,6]-3:C[6,6a]-3:	C[5a,6a,6a]-3:C[5,6,6a]-3:C[5a,6]-3:	C[5a,6](C[5a,6,6a]C[5a,6a,6a]C[5,6,6a])(C[5a,6a]C[5a,6a,6a]C[5,6a])(C[6]C[6,6a])	C[6](C[5a,6]C[5a,6,6a]C[5a,6a])(C[6,6a]C[5,6,6a]C[6a,6a])	C[5a,6,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5a,6]C[5a,6a]C[6])	C[5a,6](C[5a,6,6a]C[5a,6a,6a]C[5,6,6a])(C[5a,6a]C[5a,6a,6a]C[5,6a])(C[6]C[6,6a]){7|C<3>}	C[6](C[5a,6]C[5a,6,6a]C[5a,6a])(C[6,6a]C[5,6,6a]C[6a,6a]){7|C<3>}	C[5a,6,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5a,6]C[5a,6a]C[6]){7|C<3>}	118.2270	0.000	1	118.2270	0.000	1	118.2270	0.000	1	117.7380	0.478	2	117.7380	0.478	2	120.8894	2.204	21
727	206	727	6:SP2_SP1_SP2	C[5a,6]	C[6]	C[5a,6]	3:2:2:	3:2:	3:3:2:	C[5a,6]-3:N[5a]-2:C[6]-2:	C[5a,6]-3:C[6]-2:	C[5a,6]-3:N[5a]-3:C[6]-2:	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(C[6]C[6])	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6])	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]H)(C[6]C[6])	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(C[6]C[6]){1|C<3>,1|C<4>,1|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]){1|C<2>,1|C<3>,1|H<1>,1|N<3>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]H)(C[6]C[6]){1|C<2>,1|C<4>,1|H<1>}	121.1570	0.000	1	121.1570	0.000	1	121.1570	0.000	1	121.1570	0.000	1	121.2212	1.203	19	120.8894	2.204	21
727	206	727	6:SP2_SP1_SP2	C[5a,6]	C[6]	C[5a,6]	3:2:2:	3:2:	3:3:3:	C[5a,6]-3:S[5a]-2:C[6]-2:	C[5a,6]-3:C[6]-2:	C[5a,6]-3:C[5a,6a]-3:C[5a,6]-3:	C[5a,6](C[5a,6]C[5a,6a]C[5a,6])(S[5a]C[5a,6a])(C[6]C[6])	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[5a,6])	C[5a,6](C[5a,6]C[5a,6a]C[5a,6])(C[5a,6a]C[5a,6a]2)(C[5a,6]S[5a]C[6])	C[5a,6](C[5a,6]C[5a,6a]C[5a,6])(S[5a]C[5a,6a])(C[6]C[6]){4|C<3>}	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[5a,6]){1|S<2>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[5a,6])(C[5a,6a]C[5a,6a]2)(C[5a,6]S[5a]C[6]){1|C<2>,1|S<2>,5|C<3>}	123.3400	0.000	1	123.3400	0.000	1	123.3400	0.000	1	123.3400	0.000	1	121.2212	1.203	19	120.8894	2.204	21
727	206	727	6:SP2_SP1_SP2	C[5a,6]	C[6]	C[5a,6]	3:2:2:	3:3:	3:3:3:	C[5a,6]-3:N[5a]-2:C[6]-2:	C[5a,6]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(C[6]C[6])	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]Zn)(C[6]C[6]H)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(C[6]C[6]){1|Zn<5>,2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]Zn)(C[6]C[6]H){1|H<1>,2|C<3>}	122.3440	0.000	1	122.3440	0.000	1	122.3440	0.000	1	121.7290	0.756	2	121.2212	1.203	19	120.8894	2.204	21
727	206	727	6:SP2_SP1_SP2	C[5a,6]	C[6]	C[5a,6]	3:2:2:	3:3:	3:3:3:	C[5a,6]-3:S[5a]-2:C[6]-2:	C[5a,6]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6](C[5a,6]C[5a]C[6])(S[5a]C[5a])(C[6]C[6])	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6]H)	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]H)	C[5a,6](C[5a,6]C[5a]C[6])(S[5a]C[5a])(C[6]C[6]){1|C<4>,2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6]H){1|H<1>,3|C<3>}	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]H){1|C<3>,1|C<4>,1|H<1>}	121.1140	0.000	1	121.1140	0.000	1	121.1140	0.000	1	121.7290	0.756	2	121.2212	1.203	19	120.8894	2.204	21
727	206	727	6:SP2_SP1_SP2	C[5a,6]	C[6]	C[5a,6]	3:3:2:	3:2:	3:3:2:	C[5a,6]-3:C[5a,6]-3:C[6]-2:	C[5a,6]-3:C[6]-2:	C[5a,6]-3:C[5a,6]-3:C[6]-2:	C[5a,6](C[5a,6]N[5a,6,6]N[6])(C[5a,6]C[5a,6]C[6])(C[6]C[6])	C[6](C[5a,6]C[5a,6]2)(C[6]C[6])	C[5a,6](C[5a,6]N[5a,6,6]N[6])(C[5a,6]C[5a,6]C[6])(C[6]C[6])	C[5a,6](C[5a,6]N[5a,6,6]N[6])(C[5a,6]C[5a,6]C[6])(C[6]C[6]){1|B<4>,1|C<2>,1|C<3>,1|N<2>}	C[6](C[5a,6]C[5a,6]2)(C[6]C[6]){1|C<2>,1|C<3>,1|N<2>,1|N<3>}	C[5a,6](C[5a,6]N[5a,6,6]N[6])(C[5a,6]C[5a,6]C[6])(C[6]C[6]){1|B<4>,1|C<2>,1|C<3>,1|N<2>}	120.7423	0.509	12	120.7423	0.259	12	120.7423	0.259	12	120.7423	0.259	12	121.2212	1.203	19	120.8894	2.204	21
727	206	727	6:SP2_SP1_SP2	C[5a,6]	C[6]	C[5a,6]	3:3:2:	3:3:	3:2:2:	C[5a,6]-3:N[5a]-3:C[6]-2:	C[5a,6]-3:C[6]-3:	C[5a,6]-3:N[5a]-2:C[6]-2:	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]H)(C[6]C[6])	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(C[6]C[6])	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]H)(C[6]C[6]){1|C<2>,1|C<4>,1|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H){1|C<2>,1|C<3>,1|H<1>,1|N<2>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(C[6]C[6]){1|C<3>,1|C<4>,1|H<1>}	121.8440	0.000	1	121.8440	0.000	1	121.8440	0.000	1	121.8440	0.000	1	121.2212	1.203	19	120.8894	2.204	21
727	206	727	6:SP2_SP1_SP2	C[5a,6]	C[6]	C[5a,6]	3:3:2:	3:3:	3:3:3:	C[5a,6]-3:C[5a]-3:C[6]-2:	C[5a,6]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C)(C[6]C[6])	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]H)(C[6]C[6]H)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]){1|C<3>,4|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]H)(C[6]C[6]H){1|C<3>,1|C<4>,2|H<1>}	120.2740	0.000	1	120.2740	0.000	1	120.2740	0.000	1	122.2475	7.789	2	121.2212	1.203	19	120.8894	2.204	21
727	206	727	6:SP2_SP1_SP2	C[5a,6]	C[6]	C[5a,6]	3:3:2:	3:3:	3:3:3:	C[5a,6]-3:N[5a]-3:C[6]-2:	C[5a,6]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6])	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]){2|H<1>,3|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	124.2210	0.000	1	124.2210	0.000	1	124.2210	0.000	1	122.2475	7.789	2	121.2212	1.203	19	120.8894	2.204	21
727	206	813	0:SP2_SP1_SP2	C[5a,6]	C[6]	N[5a]	3:3:2:	3:3:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-2:	C[5a,6]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]H)(C[6]C[6])	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)(H)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]H)(C[6]C[6]){1|C<2>,1|C<4>,1|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H){1|C<2>,1|C<3>,1|H<1>,1|N<2>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)(H){1|C<2>,1|C<3>}	132.5240	0.000	1	132.5240	0.000	1	132.5240	0.000	1	132.5240	0.000	1	129.9995	12.746	2	129.9995	12.746	2
727	206	813	0:SP2_SP1_SP2	C[5a,6]	C[6]	N[5a]	3:3:2:	3:3:	3:3:4:	C[5a,6]-3:N[5a]-3:C[6]-2:	C[5a,6]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6])	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CCHH)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]){2|H<1>,3|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CCHH){1|H<1>,4|C<3>}	127.4750	0.000	1	127.4750	0.000	1	127.4750	0.000	1	127.4750	0.000	1	129.9995	12.746	2	129.9995	12.746	2
727	217	474	0:SP2_SP2_SP3	C[5,6a]	N[6a]	C[5,6]	4:3:3:	3:3:1:	3:3:4:4:	C[5,6]-4:C[5,6a]-3:N[6a]-3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6]-4:C-4:	C[5,6a](C[5,6]N[5,6]C[6]C)(C[5,6a]C[6a]C[5])(N[6a]C[6a,6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5,6])(H)	C[5,6](C[5,6a]C[5,6a]N[6a])(N[5,6]C[5]C[6])(C[6]C[6]CH)(CH3)	C[5,6a](C[5,6]N[5,6]C[6]C)(C[5,6a]C[6a]C[5])(N[6a]C[6a,6a]H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5,6])(H){1|H<1>,1|N<3>,3|C<3>,3|C<4>}	C[5,6](C[5,6a]C[5,6a]N[6a])(N[5,6]C[5]C[6])(C[6]C[6]CH)(CH3){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	124.3190	2.232	2	124.3190	4.980	2	124.3190	4.980	2	124.3190	4.980	2	124.3190	4.980	2	124.8372	1.679	5
727	217	474	0:SP2_SP2_SP3	C[5,6a]	N[6a]	C[5]	3:3:4:	3:3:4:	3:4:1:1:	C[5,6a]-3:N[6a]-3:C[5]-4:	C[5,6a]-3:B[6a]-3:C-4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]B[6a]C)(C[5]C[5]HH)	N[6a](C[5,6a]C[5,6a]C[5])(B[6a]C[6a]2)(CH3)	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]CH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]B[6a]C)(C[5]C[5]HH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[5,6a]C[5,6a]C[5])(B[6a]C[6a]2)(CH3){1|C<4>,3|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]CH)(H)2{1|B<3>,1|C<3>,1|C<4>,1|O<1>}	125.1580	0.000	1	125.1580	0.000	1	125.1580	0.000	1	124.8525	0.187	2	125.1827	0.420	3	124.8372	1.679	5
727	217	474	0:SP2_SP2_SP3	C[5,6a]	N[6a]	C[5]	3:3:4:	3:3:4:	3:4:1:1:	C[5,6a]-3:N[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a]C)(C[5]C[5]HH)	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(CH3)	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a]C)(C[5]C[5]HH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(CH3){1|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	124.5470	0.000	1	124.5470	0.000	1	124.5470	0.000	1	124.8525	0.187	2	125.1827	0.420	3	124.8372	1.679	5
727	217	474	0:SP2_SP2_SP3	C[5,6a]	N[6a]	C[5]	3:3:4:	3:4:3:	3:4:1:1:	C[5,6a]-3:N[6a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a]C[5])(C[5]C[5]HH)	N[6a](C[5,6a]C[5,6a]C[5])(C[5]C[5]O[5]H)(C[6a]N[6a]O)	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a]C[5])(C[5]C[5]HH){1|C<4>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,5|H<1>}	N[6a](C[5,6a]C[5,6a]C[5])(C[5]C[5]O[5]H)(C[6a]N[6a]O){1|C<3>,4|C<4>,4|H<1>}	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	125.8430	0.000	1	125.8430	0.000	1	125.8430	0.000	1	125.8430	0.000	1	125.1827	0.420	3	124.8372	1.679	5
727	217	519	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a]	3:2:3:	3:3:4:	3:3:	C[5a,6a]-3:N[5a]-2:N[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:N[5a,6]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]N[5a,6])(N[6a]C[6a]C)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(CCHH)	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a,6]C[5a,6]C[6])	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]N[5a,6])(N[6a]C[6a]C){1|H<1>,1|O<1>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(CCHH){1|C<2>,1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a,6]C[5a,6]C[6]){1|C<4>,1|H<1>,4|C<3>}	122.9280	0.000	1	122.9280	0.000	1	122.9280	0.000	1	122.9280	0.000	1	126.4394	1.031	256	126.3563	1.379	261
727	217	519	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a]	3:3:2:	3:3:1:	3:2:	N[5a,6a]-3:N[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[5a]C[6a])(N[6a]C[6a]H)(N[5a]N[5a])	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]O)(H)	N[5a](C[5a,6a]N[5a,6a]N[6a])(N[5a]C[5a])	C[5a,6a](N[5a,6a]C[5a]C[6a])(N[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,1|O<1>,2|C<4>}	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	127.4830	0.000	1	127.4830	0.000	1	128.8525	3.751	2	128.8525	3.751	2	126.4394	1.031	256	126.3563	1.379	261
727	217	519	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a]	3:3:2:	3:3:1:	3:2:	N[5a,6a]-3:N[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[6a]C[6a]H)(N[5a]N[5a])	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]O)(H)	N[5a](C[5a,6a]N[5a,6a]N[6a])(N[5a]N[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,1|C<4>,1|O<1>}	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,2|N<2>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(N[5a]N[5a]){1|H<1>,2|C<3>}	130.2220	0.000	1	130.2220	0.000	1	128.8525	3.751	2	128.8525	3.751	2	126.4394	1.031	256	126.3563	1.379	261
727	217	519	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a]	3:3:2:	3:3:1:	3:3:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a]H)(N[5a]C[5a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a]H)(N[5a]C[5a]){1|Cl<1>,1|N<2>,3|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(H){3|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H){2|C<3>,2|H<1>}	126.6750	0.000	1	126.6750	0.000	1	127.1995	1.393	4	128.7659	1.964	15	126.4394	1.031	256	126.3563	1.379	261
727	217	519	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a]	3:3:2:	3:3:1:	3:3:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]H)(N[5a]C[5a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|O<1>,3|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H){2|C<3>,2|H<1>}	126.5830	0.235	2	126.5830	0.055	2	127.1995	1.393	4	128.7659	1.964	15	126.4394	1.031	256	126.3563	1.379	261
727	217	519	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a]	3:3:2:	3:3:1:	3:3:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]H)(N[5a]C[5a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]H)(N[5a]C[5a]){1|N<2>,1|N<3>,2|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(H){1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H){1|H<1>,2|C<3>}	128.9570	0.000	1	128.9570	0.000	1	127.1995	1.393	4	128.7659	1.964	15	126.4394	1.031	256	126.3563	1.379	261
727	217	519	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a]	3:3:2:	3:3:1:	3:3:	N[5a,6a]-3:N[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(N[6a]C[6a]H)(N[5a]C[5a])	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a,6a]O)(H)	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]O)	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(N[6a]C[6a]H)(N[5a]C[5a]){1|O<1>,1|O<2>,2|C<3>}	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a,6a]O)(H){1|N<2>,3|C<3>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]O){1|H<1>,2|C<3>}	128.2970	0.000	1	128.2970	0.000	1	129.3355	0.993	11	128.7659	1.964	15	126.4394	1.031	256	126.3563	1.379	261
727	217	519	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a]	3:3:2:	3:3:1:	3:3:	N[5a,6a]-3:N[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(N[6a]C[6a]H)(N[5a]C[5a])	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a,6a]O)(H)	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]S)	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(N[6a]C[6a]H)(N[5a]C[5a]){1|O<1>,1|S<2>,2|C<3>}	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a,6a]O)(H){1|N<2>,3|C<3>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]S){1|H<1>,2|C<3>}	128.6070	0.000	1	128.5825	0.001	2	129.3355	0.993	11	128.7659	1.964	15	126.4394	1.031	256	126.3563	1.379	261
727	217	519	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a]	3:3:2:	3:3:1:	3:3:	N[5a,6a]-3:N[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(N[6a]C[6a]H)(N[5a]C[5a])	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a,6a]O)(H)	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]S)	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(N[6a]C[6a]H)(N[5a]C[5a]){1|O<1>,1|S<4>,2|C<3>}	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a,6a]O)(H){1|N<2>,3|C<3>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]S){1|H<1>,2|C<3>}	128.5580	0.000	1	128.5825	0.001	2	129.3355	0.993	11	128.7659	1.964	15	126.4394	1.031	256	126.3563	1.379	261
727	217	519	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a]	3:3:2:	3:3:1:	3:3:	N[5a,6a]-3:N[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[6a]C[6a]H)(N[5a]C[5a])	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]C)(H)	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]C)	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|O<1>,2|C<4>}	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]C){1|H<1>,2|C<3>}	129.4180	0.159	3	129.4180	0.025	3	129.3355	0.993	11	128.7659	1.964	15	126.4394	1.031	256	126.3563	1.379	261
727	217	519	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a]	3:3:2:	3:3:1:	3:3:	N[5a,6a]-3:N[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[6a]C[6a]H)(N[5a]C[5a])	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]C)(H)	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]H){1|H<1>,2|C<3>}	128.7310	0.000	1	128.7310	0.000	1	129.3355	0.993	11	128.7659	1.964	15	126.4394	1.031	256	126.3563	1.379	261
727	217	519	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a]	3:3:2:	3:3:1:	3:3:	N[5a,6a]-3:N[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[6a]C[6a]H)(N[5a]C[5a])	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]C)(H)	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]N)	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|N<3>,1|O<1>}	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]N){1|H<1>,2|C<3>}	129.4725	0.218	2	129.4725	0.048	2	129.3355	0.993	11	128.7659	1.964	15	126.4394	1.031	256	126.3563	1.379	261
727	217	519	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a]	3:3:2:	3:3:1:	3:3:	N[5a,6a]-3:N[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[6a]C[6a]H)(N[5a]C[5a])	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]O)(H)	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]C)	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|O<1>,2|C<4>}	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]C){1|H<1>,2|C<3>}	129.2810	0.000	1	129.2810	0.000	1	129.3355	0.993	11	128.7659	1.964	15	126.4394	1.031	256	126.3563	1.379	261
727	217	519	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a]	3:3:2:	3:3:1:	3:3:	N[5a,6a]-3:N[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[6a]C[6a]H)(N[5a]C[5a])	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]N[6a]O)(H)	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[6a]N[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<2>,1|N<3>,1|O<1>}	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]N[6a]O)(H){1|N<2>,2|C<3>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[6a]N[5a]){1|H<1>,4|C<3>}	132.0170	0.000	1	132.0170	0.000	1	129.3355	0.993	11	128.7659	1.964	15	126.4394	1.031	256	126.3563	1.379	261
727	217	519	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a]	3:3:2:	3:3:3:	3:3:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]2)(N[5a]N[5a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]N[6a]O)	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]2)(N[5a]N[5a]){1|N<2>,1|N<3>,1|O<1>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]N[6a]O){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[6a]N[5a]){5|C<3>}	126.7230	0.000	1	126.7230	0.000	1	126.7230	0.000	1	126.7230	0.000	1	126.4394	1.031	256	126.3563	1.379	261
727	217	519	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a]	3:3:2:	3:3:4:	3:3:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[6a]C[6a,6a]C)(N[5a]C[5a,6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(CC[6a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[6a]C[6a,6a]C)(N[5a]C[5a,6a]){1|H<1>,4|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(CC[6a]HH){1|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a]){1|C<4>,1|H<1>,4|C<3>}	124.8200	0.000	1	124.8200	0.000	1	125.2620	0.391	2	126.2841	0.513	236	126.4394	1.031	256	126.3563	1.379	261
727	217	519	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a]	3:3:2:	3:3:4:	3:3:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[6a]C[6a,6a]C)(N[5a]C[5a,6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[6a]C[6a,6a]C)(N[5a]C[5a,6a]){1|H<1>,4|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(CH3){1|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a]){1|C<4>,1|H<1>,4|C<3>}	125.7040	0.000	1	125.7040	0.000	1	125.2620	0.391	2	126.2841	0.513	236	126.4394	1.031	256	126.3563	1.379	261
727	217	519	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a]	3:3:2:	3:3:4:	3:3:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a]C)(N[5a]C[5a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CHHO)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C[6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a]C)(N[5a]C[5a]){1|Cl<1>,2|C<3>,2|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CHHO){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	125.7760	0.000	1	125.7760	0.000	1	126.2705	0.491	228	126.2841	0.513	236	126.4394	1.031	256	126.3563	1.379	261
727	217	519	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a]	3:3:2:	3:3:4:	3:3:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCHH)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a]){2|C<3>,2|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCHH){1|Br<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a]){1|C<4>,4|C<3>}	127.6580	0.000	1	127.6580	0.000	1	126.2705	0.491	228	126.2841	0.513	236	126.4394	1.031	256	126.3563	1.379	261
727	217	519	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a]	3:3:2:	3:3:4:	3:3:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC[6a]HH)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a]){2|C<3>,2|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC[6a]HH){1|Br<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a]){1|C<4>,4|C<3>}	127.6727	0.457	3	127.6727	0.208	3	126.2705	0.491	228	126.2841	0.513	236	126.4394	1.031	256	126.3563	1.379	261
727	217	519	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a]	3:3:2:	3:3:4:	3:3:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(CCHH)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a]){1|C<4>,1|N<2>,1|O<1>,2|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(CCHH){1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H){2|C<3>,2|C<4>}	127.4790	0.000	1	127.4790	0.000	1	126.2705	0.491	228	126.2841	0.513	236	126.4394	1.031	256	126.3563	1.379	261
727	217	519	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a]	3:3:2:	3:3:4:	3:3:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(CC[6]HH)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a]){1|N<2>,1|N<3>,2|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(CC[6]HH){1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H){1|C<4>,2|C<3>}	127.2080	0.000	1	127.2080	0.000	1	126.2705	0.491	228	126.2841	0.513	236	126.4394	1.031	256	126.3563	1.379	261
727	217	519	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a]	3:3:2:	3:3:4:	3:3:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CCHH)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5,5,6]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a]){1|C<4>,1|H<1>,1|N<3>,2|O<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CCHH){1|C<4>,1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5,5,6]N[5a]){1|H<1>,2|C<3>,4|C<4>}	125.3560	0.000	1	125.3560	0.000	1	126.2705	0.491	228	126.2841	0.513	236	126.4394	1.031	256	126.3563	1.379	261
727	217	519	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a]	3:3:2:	3:3:4:	3:3:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CCHH)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a]){1|C<3>,1|H<1>,1|N<3>,2|O<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CCHH){1|C<4>,1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]N[5a]){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	126.0550	0.000	1	126.0550	0.000	1	126.2705	0.491	228	126.2841	0.513	236	126.4394	1.031	256	126.3563	1.379	261
727	217	519	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a]	3:3:2:	3:3:4:	3:3:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CCHH)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a]){1|C<3>,1|C<4>,1|N<3>,2|O<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CCHH){1|C<4>,1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a]){1|N<2>,2|C<4>,3|C<3>}	125.3860	0.000	1	125.3860	0.000	1	126.2705	0.491	228	126.2841	0.513	236	126.4394	1.031	256	126.3563	1.379	261
727	217	519	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a]	3:3:2:	3:3:4:	3:3:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CCHH)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]Br)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a]){1|Br<1>,1|H<1>,1|N<3>,2|O<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CCHH){1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]Br){1|C<4>,1|H<1>,2|C<3>}	125.7520	0.000	1	125.7520	0.000	1	126.2705	0.491	228	126.2841	0.513	236	126.4394	1.031	256	126.3563	1.379	261
727	217	519	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a]	3:3:2:	3:3:4:	3:3:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a]){1|C<3>,1|C<4>,1|N<3>,2|O<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3){1|C<4>,1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]N[5a]){1|S<2>,2|C<4>,3|C<3>}	125.3500	0.000	1	125.3500	0.000	1	126.2705	0.491	228	126.2841	0.513	236	126.4394	1.031	256	126.3563	1.379	261
727	217	519	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a]	3:3:2:	3:3:4:	3:3:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a]){1|C<3>,1|C<4>,1|N<3>,2|O<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3){1|C<4>,1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a]){2|C<4>,4|C<3>}	125.8513	0.363	3	125.9405	0.120	4	126.2705	0.491	228	126.2841	0.513	236	126.4394	1.031	256	126.3563	1.379	261
727	217	519	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a]	3:3:2:	3:3:4:	3:3:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a]){1|C<3>,1|H<1>,1|N<3>,2|O<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3){1|C<4>,1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a]){1|C<4>,1|H<1>,4|C<3>}	126.2080	0.000	1	125.9405	0.120	4	126.2705	0.491	228	126.2841	0.513	236	126.4394	1.031	256	126.3563	1.379	261
727	217	519	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a]	3:3:2:	3:3:4:	3:3:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a]){1|C<3>,1|C<4>,1|N<3>,2|O<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3){1|C<4>,1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]C){2|C<3>,2|C<4>}	126.2780	0.000	1	126.4160	0.038	2	126.2705	0.491	228	126.2841	0.513	236	126.4394	1.031	256	126.3563	1.379	261
727	217	519	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a]	3:3:2:	3:3:4:	3:3:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a]){1|N<3>,2|C<4>,2|O<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3){1|C<4>,1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]C){2|C<3>,2|C<4>}	126.5540	0.000	1	126.4160	0.038	2	126.2705	0.491	228	126.2841	0.513	236	126.4394	1.031	256	126.3563	1.379	261
727	217	519	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a]	3:3:2:	3:3:4:	3:3:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a]){1|C<4>,1|H<1>,1|N<3>,2|O<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3){1|C<4>,1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H){2|C<3>,2|C<4>}	126.1795	0.753	111	126.2765	0.461	203	126.2705	0.491	228	126.2841	0.513	236	126.4394	1.031	256	126.3563	1.379	261
727	217	519	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a]	3:3:2:	3:3:4:	3:3:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a]){1|C<4>,1|H<1>,1|N<3>,2|O<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3){1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H){2|C<3>,2|C<4>}	126.1452	0.619	13	126.2765	0.461	203	126.2705	0.491	228	126.2841	0.513	236	126.4394	1.031	256	126.3563	1.379	261
727	217	519	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a]	3:3:2:	3:3:4:	3:3:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a]){1|Co<6>,1|H<1>,1|N<3>,2|O<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3){1|C<4>,1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H){1|Co<6>,1|C<4>,2|C<3>}	125.2820	0.000	1	126.2765	0.461	203	126.2705	0.491	228	126.2841	0.513	236	126.4394	1.031	256	126.3563	1.379	261
727	217	519	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a]	3:3:2:	3:3:4:	3:3:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a]){1|H<1>,1|O<1>,2|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3){1|C<4>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H){1|C<4>,2|C<3>}	127.3755	0.032	2	126.2765	0.461	203	126.2705	0.491	228	126.2841	0.513	236	126.4394	1.031	256	126.3563	1.379	261
727	217	519	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a]	3:3:2:	3:3:4:	3:3:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a]){1|Mg<6>,1|H<1>,1|N<3>,2|O<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3){1|C<4>,1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H){1|Mg<6>,1|C<4>,2|C<3>}	125.5660	0.000	1	126.2765	0.461	203	126.2705	0.491	228	126.2841	0.513	236	126.4394	1.031	256	126.3563	1.379	261
727	217	519	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a]	3:3:2:	3:3:4:	3:3:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a]){1|N<3>,2|H<1>,2|O<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3){1|C<1>,1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H){1|C<4>,1|H<1>,2|C<3>}	126.3050	0.000	1	126.2765	0.461	203	126.2705	0.491	228	126.2841	0.513	236	126.4394	1.031	256	126.3563	1.379	261
727	217	519	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a]	3:3:2:	3:3:4:	3:3:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a]){1|N<3>,2|H<1>,2|O<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3){1|C<4>,1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H){1|C<4>,1|H<1>,2|C<3>}	126.4439	0.490	69	126.2765	0.461	203	126.2705	0.491	228	126.2841	0.513	236	126.4394	1.031	256	126.3563	1.379	261
727	217	519	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a]	3:3:2:	3:3:4:	3:3:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a]){1|Pt<4>,1|H<1>,1|N<3>,2|O<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3){1|C<4>,1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H){1|Pt<4>,1|C<4>,2|C<3>}	126.3950	0.847	2	126.2765	0.461	203	126.2705	0.491	228	126.2841	0.513	236	126.4394	1.031	256	126.3563	1.379	261
727	217	519	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a]	3:3:2:	3:3:4:	3:3:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a]){1|Zn<4>,1|H<1>,1|N<3>,2|O<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3){1|C<4>,1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H){1|Zn<4>,1|C<4>,2|C<3>}	127.4520	0.000	1	126.2765	0.461	203	126.2705	0.491	228	126.2841	0.513	236	126.4394	1.031	256	126.3563	1.379	261
727	217	519	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a]	3:3:2:	3:3:4:	3:3:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a]){1|Zn<5>,1|H<1>,1|N<3>,2|O<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3){1|C<4>,1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H){1|Zn<5>,1|C<4>,2|C<3>}	125.7725	0.158	2	126.2765	0.461	203	126.2705	0.491	228	126.2841	0.513	236	126.4394	1.031	256	126.3563	1.379	261
727	217	519	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a]	3:3:2:	3:3:4:	3:3:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]I)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a]){1|C<4>,1|I<1>,1|N<3>,2|O<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3){1|C<4>,1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]I){2|C<3>,2|C<4>}	125.8195	0.207	2	125.8195	0.043	2	126.2705	0.491	228	126.2841	0.513	236	126.4394	1.031	256	126.3563	1.379	261
727	217	519	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a]	3:3:2:	3:3:4:	3:3:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]N)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a]){1|C<4>,1|N<2>,1|N<3>,2|O<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3){1|C<4>,1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]N){2|C<3>,2|C<4>}	126.1940	0.000	1	125.5367	0.325	3	126.2705	0.491	228	126.2841	0.513	236	126.4394	1.031	256	126.3563	1.379	261
727	217	519	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a]	3:3:2:	3:3:4:	3:3:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]N)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a]){1|C<4>,2|N<3>,2|O<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3){1|C<4>,1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]N){2|C<3>,2|C<4>}	125.2080	0.033	2	125.5367	0.325	3	126.2705	0.491	228	126.2841	0.513	236	126.4394	1.031	256	126.3563	1.379	261
727	217	519	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a]	3:3:2:	3:3:4:	3:3:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]Pd)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a]){1|Pd<4>,1|C<4>,1|N<3>,2|O<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3){1|C<4>,1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]Pd){2|C<3>,2|C<4>}	125.8340	0.905	2	125.8340	0.819	2	126.2705	0.491	228	126.2841	0.513	236	126.4394	1.031	256	126.3563	1.379	261
727	217	519	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a]	3:3:2:	3:3:4:	3:3:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]N[5a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3)	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a]Cu)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]N[5a]){1|Cu<5>,1|N<3>,2|O<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a]Cu){1|C<4>,2|C<3>}	126.7930	0.173	2	126.7930	0.030	2	126.8670	0.430	4	126.2841	0.513	236	126.4394	1.031	256	126.3563	1.379	261
727	217	519	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a]	3:3:2:	3:3:4:	3:3:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]N[5a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3)	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a]Ni)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]N[5a]){1|Ni<6>,1|N<3>,2|O<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a]Ni){1|C<4>,2|C<3>}	126.9410	1.113	2	126.9410	1.239	2	126.8670	0.430	4	126.2841	0.513	236	126.4394	1.031	256	126.3563	1.379	261
727	217	519	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a]	3:3:2:	3:3:4:	3:3:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:C[5]-4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C[5])(N[5a]C[5a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(C[5]C[5]2H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C[5])(N[5a]C[5a]){1|C<3>,1|C<4>,1|N<2>,1|N<3>,3|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(C[5]C[5]2H){1|C<4>,1|N<2>,1|O<2>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H){1|C<4>,2|C<3>}	127.6850	0.146	2	127.6850	0.021	2	127.6850	0.021	2	126.2841	0.513	236	126.4394	1.031	256	126.3563	1.379	261
727	217	519	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a]	3:3:2:	3:4:3:	3:3:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5]-4:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a]C[5])(N[5a]C[5a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[5]C[5]O[5]H)(C[6a]N[6a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a]C[5])(N[5a]C[5a]){1|C<2>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[5]C[5]O[5]H)(C[6a]N[6a]H){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H){1|C<2>,1|C<4>,2|C<3>}	126.6130	0.000	1	126.6130	0.000	1	126.6130	0.000	1	126.6130	0.000	1	126.4394	1.031	256	126.3563	1.379	261
727	217	519	0:SP2_SP2_SP2	C[5a]	N[6a]	N[5a]	2:2:3:	3:3:3:	3:3:	N[5a]-2:S[5a]-2:N[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(N[6a]C[6a]2)	N[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[6a]S[5a])	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(N[6a]C[6a]2){1|C<4>,1|H<1>,4|C<3>}	N[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[6a]S[5a]){1|H<1>,4|C<3>}	123.5810	0.000	1	123.5810	0.000	1	122.0980	0.812	5	122.0980	0.812	5	122.0980	0.812	5	126.3563	1.379	261
727	217	519	0:SP2_SP2_SP2	C[5a]	N[6a]	N[5a]	2:2:3:	3:3:3:	3:3:	N[5a]-2:S[5a]-2:N[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(N[6a]C[6a]2)	N[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]N)(C[6a]C[6a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[6a]S[5a])	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(N[6a]C[6a]2){1|N<3>,1|O<1>,4|C<3>}	N[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]N)(C[6a]C[6a]O){2|C<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[6a]S[5a]){1|H<1>,4|C<3>}	121.7272	0.409	4	121.7272	0.167	4	122.0980	0.812	5	122.0980	0.812	5	122.0980	0.812	5	126.3563	1.379	261
727	217	537	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	O[5a]	3:3:2:	3:3:3:	3:3:	C[5a,6a]-3:N[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a]C)(O[5a]C[5a])	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]N[6a]O)(CHH)	O[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a]C)(O[5a]C[5a]){1|N<3>,2|C<3>,2|O<1>}	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]N[6a]O)(CHH){4|C<3>}	O[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C){4|C<3>}	121.5440	0.000	1	121.5440	0.000	1	121.5440	0.000	1	121.5440	0.000	1	120.5072	1.030	4	120.5072	1.030	4
727	217	537	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	O[5a]	3:3:2:	3:3:4:	3:3:	C[5a,6a]-3:N[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a,6a]C)(O[5a]C[5a])	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a])(CH3)	O[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C[6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a,6a]C)(O[5a]C[5a]){1|O<1>,4|C<3>}	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a])(CH3){1|H<1>,5|C<3>}	O[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C[6a]){1|C<4>,5|C<3>}	119.1150	0.000	1	119.1150	0.000	1	119.1150	0.000	1	120.1617	0.828	3	120.5072	1.030	4	120.5072	1.030	4
727	217	537	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	O[5a]	3:3:2:	3:3:4:	3:3:	C[5a,6a]-3:N[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a]C)(O[5a]C[5a])	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CH3)	O[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C[6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a]C)(O[5a]C[5a]){1|H<1>,1|O<1>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CH3){1|H<1>,3|C<3>}	O[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C[6a]){1|C<4>,5|C<3>}	120.7660	0.000	1	120.7660	0.000	1	120.6850	0.013	2	120.1617	0.828	3	120.5072	1.030	4	120.5072	1.030	4
727	217	537	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	O[5a]	3:3:2:	3:3:4:	3:3:	C[5a,6a]-3:N[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a]C)(O[5a]C[5a])	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]N[6a]O)(CCHH)	O[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a]C)(O[5a]C[5a]){1|N<3>,2|C<3>,2|O<1>}	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]N[6a]O)(CCHH){1|C<4>,3|C<3>}	O[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C){1|C<4>,3|C<3>}	120.6040	0.000	1	120.6040	0.000	1	120.6850	0.013	2	120.1617	0.828	3	120.5072	1.030	4	120.5072	1.030	4
727	217	542	0:SP2_SP2_SP2	C[5,6a]	N[6a]	N[5]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:N[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]H)(N[5]C[5]H)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N)(H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|H<1>,2|N<3>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N)(H){1|N<3>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(H){2|C<3>,2|H<1>}	128.7245	1.285	2	128.7245	1.651	2	128.7253	0.656	6	128.7253	0.656	6	128.6479	1.062	28	128.6479	1.062	28
727	217	542	0:SP2_SP2_SP2	C[5,6a]	N[6a]	N[5]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:N[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]H)(N[5]C[5]H)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]H)(N[5]C[5]H){1|N<3>,2|H<1>,2|O<1>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(H){1|N<3>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(H){2|C<3>,2|H<1>}	128.9893	0.631	3	128.7258	0.543	4	128.7253	0.656	6	128.7253	0.656	6	128.6479	1.062	28	128.6479	1.062	28
727	217	542	0:SP2_SP2_SP2	C[5,6a]	N[6a]	N[5]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:N[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]H)(N[5]C[5]H)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|H<1>,2|N<2>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(H){1|H<1>,1|N<3>,2|C<3>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(H){2|C<3>,2|H<1>}	127.9350	0.000	1	128.7258	0.543	4	128.7253	0.656	6	128.7253	0.656	6	128.6479	1.062	28	128.6479	1.062	28
727	217	542	0:SP2_SP2_SP2	C[5,6a]	N[6a]	N[5]	3:3:3:	3:3:3:	3:3:4:	N[5,6a]-3:N[5]-3:N[6a]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](N[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(N[6a]C[6a]2)	N[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]2)(C[6a]C[6a]O)	N[5](C[5,6a]N[5,6a]N[6a])(C[6a]C[6a]2)(C[5]C[5]HH)	C[5,6a](N[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(N[6a]C[6a]2){2|O<1>,4|H<1>,5|C<3>}	N[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]2)(C[6a]C[6a]O){2|C<4>,2|H<1>,5|C<3>}	N[5](C[5,6a]N[5,6a]N[6a])(C[6a]C[6a]2)(C[5]C[5]HH){4|H<1>,5|C<3>}	128.9500	0.000	1	128.9500	0.000	1	128.9500	0.000	1	128.9500	0.000	1	128.6479	1.062	28	128.6479	1.062	28
727	217	542	0:SP2_SP2_SP2	C[5,6a]	N[6a]	N[5]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:N[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]C[5]H)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(CH3)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]C[5]H){1|C<4>,1|H<1>,1|N<3>,2|O<1>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(H){2|C<3>,2|C<4>}	128.0863	0.436	3	128.2881	0.672	12	128.2881	0.672	12	128.2881	0.672	12	128.6479	1.062	28	128.6479	1.062	28
727	217	542	0:SP2_SP2_SP2	C[5,6a]	N[6a]	N[5]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:N[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]C[5]H)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(CH3)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]C[5]H){1|C<4>,1|H<1>,1|N<3>,2|O<1>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(CH3){1|N<3>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(H){2|C<3>,2|C<4>}	127.1580	0.714	2	128.2881	0.672	12	128.2881	0.672	12	128.2881	0.672	12	128.6479	1.062	28	128.6479	1.062	28
727	217	542	0:SP2_SP2_SP2	C[5,6a]	N[6a]	N[5]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:N[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]C[5]H)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(CH3)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]C[5]H){1|N<3>,2|H<1>,2|O<1>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(H){1|C<4>,1|H<1>,2|C<3>}	128.6974	0.664	7	128.2881	0.672	12	128.2881	0.672	12	128.2881	0.672	12	128.6479	1.062	28	128.6479	1.062	28
727	217	542	0:SP2_SP2_SP2	C[5,6a]	N[6a]	N[5]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:N[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]C[5]C)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CH3)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]C[5]C){1|C<3>,1|C<4>,3|H<1>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CH3){2|C<3>,2|C<4>}	129.7800	0.000	1	129.7800	0.000	1	129.0424	1.865	9	129.0424	1.865	9	128.6479	1.062	28	128.6479	1.062	28
727	217	542	0:SP2_SP2_SP2	C[5,6a]	N[6a]	N[5]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:N[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]C[5]C)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(CH3)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]C[5]C){1|C<3>,1|H<1>,1|N<3>,2|O<1>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(CH3){1|N<3>,2|C<3>,2|C<4>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CH3){1|C<4>,3|C<3>}	128.4210	0.000	1	128.6460	2.398	6	129.0424	1.865	9	129.0424	1.865	9	128.6479	1.062	28	128.6479	1.062	28
727	217	542	0:SP2_SP2_SP2	C[5,6a]	N[6a]	N[5]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:N[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]C[5]C)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(CH3)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]C[5]C){1|C<4>,1|H<1>,1|N<3>,2|O<1>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(CH3){1|N<3>,2|C<3>,2|C<4>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CH3){2|C<3>,2|C<4>}	129.3802	0.900	4	128.6460	2.398	6	129.0424	1.865	9	129.0424	1.865	9	128.6479	1.062	28	128.6479	1.062	28
727	217	542	0:SP2_SP2_SP2	C[5,6a]	N[6a]	N[5]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:N[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]C[5]C)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(CH3)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]C[5]C){1|Ru<6>,1|H<1>,1|N<3>,2|O<1>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(CH3){1|N<3>,2|C<3>,2|C<4>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CH3){1|Ru<6>,1|C<4>,2|C<3>}	125.9340	0.000	1	128.6460	2.398	6	129.0424	1.865	9	129.0424	1.865	9	128.6479	1.062	28	128.6479	1.062	28
727	217	542	0:SP2_SP2_SP2	C[5,6a]	N[6a]	N[5]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:N[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]C[5]C)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(CH3)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]Pt)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]C[5]C){1|Pt<4>,1|C<4>,1|N<3>,2|O<1>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(CH3){1|N<3>,2|C<3>,2|C<4>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]Pt)(CH3){2|C<3>,2|C<4>}	130.0810	0.000	1	130.0810	0.000	1	129.0424	1.865	9	129.0424	1.865	9	128.6479	1.062	28	128.6479	1.062	28
727	217	542	0:SP2_SP2_SP2	C[5,6a]	N[6a]	N[5]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:N[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]C[5]C)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(CH3)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]Rh)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]C[5]C){1|Rh<6>,1|C<4>,1|N<3>,2|O<1>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(CH3){1|N<3>,2|C<3>,2|C<4>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]Rh)(CH3){2|C<3>,2|C<4>}	129.6450	0.000	1	129.6450	0.000	1	129.0424	1.865	9	129.0424	1.865	9	128.6479	1.062	28	128.6479	1.062	28
727	217	727	0:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,5a]	3:3:3:	3:3:4:	3:3:2:	C[5,5a]-3:C[5,6a]-3:N[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5,5a]-3:S[5a]-2:	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a,6a]C[5])(N[6a]C[6a]C)	N[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a,6a]O)(CC[6a]HH)	C[5,5a](C[5,6a]C[5,6a]N[6a])(C[5,5a]C[5a]C[5])(S[5a]C[5a])	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a,6a]C[5])(N[6a]C[6a]C){1|H<1>,1|O<1>,5|C<3>}	N[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a,6a]O)(CC[6a]HH){1|C<4>,1|S<2>,3|C<3>}	C[5,5a](C[5,6a]C[5,6a]N[6a])(C[5,5a]C[5a]C[5])(S[5a]C[5a]){1|C<4>,3|C<3>,3|H<1>}	128.5450	0.000	1	128.5450	0.000	1	128.5450	0.000	1	128.5450	0.000	1	128.5450	0.000	1	129.7224	6.444	51
727	217	727	0:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[5,6a]-3:N[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(N[6a]C[6a]C)	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a,6a]O)(CCHH)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(N[6a]C[6a]C){1|H<1>,2|O<1>,4|C<3>}	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a,6a]O)(CCHH){5|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	127.5910	0.098	2	127.5910	0.010	2	127.0394	1.094	5	127.0394	1.094	5	127.0394	1.094	5	129.7224	6.444	51
727	217	727	0:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[5,6a]-3:N[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(N[6a]C[6a]C)	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a,6a]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(N[6a]C[6a]C){2|O<1>,5|C<3>}	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a,6a]O)(CC[6a]HH){5|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]2){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	125.1780	0.000	1	125.1780	0.000	1	127.0394	1.094	5	127.0394	1.094	5	127.0394	1.094	5	129.7224	6.444	51
727	217	727	0:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[5,6a]-3:N[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(N[6a]C[6a]C)	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a,6a]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(N[6a]C[6a]C){1|H<1>,2|O<1>,4|C<3>}	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a,6a]O)(CC[6a]HH){5|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	127.4185	0.087	2	127.4185	0.008	2	127.0394	1.094	5	127.0394	1.094	5	127.0394	1.094	5	129.7224	6.444	51
727	217	727	0:SP2_SP2_SP2	C[5a,6]	N[6,6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:N[6,6a]-3:C[5a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a,6](C[5a,6]C[6,6a]N[5a])(N[6,6a]C[6,6a]C[6a])(C[5a]C[5a]C[6a])	N[6,6a](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6]C[5a,6]N[6,6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[5a,6](C[5a,6]C[6,6a]N[5a])(N[6,6a]C[6,6a]C[6a])(C[5a]C[5a]C[6a]){1|C<4>,2|H<1>,6|C<3>}	N[6,6a](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	C[5a](C[5a,6]C[5a,6]N[6,6a])(C[5a]N[5a]H)(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	130.6420	0.000	1	130.6420	0.000	1	130.6420	0.000	1	130.6420	0.000	1	130.6420	0.000	1	129.7224	6.444	51
727	217	727	0:SP2_SP2_SP2	C[5a,6a]	N[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	N[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:B[6a,6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](N[6a,6a]B[6a,6a]C[5a,6a])(C[5a,6a]C[5a,6a]S[5a])(C[5a]C[5a]H)	N[6a,6a](C[5a,6a]C[5a,6a]C[5a])2(B[6a,6a]C[5a,6a]2)	C[5a](C[5a,6a]C[5a,6a]N[6a,6a])(C[5a]S[5a]C)(H)	C[5a,6a](N[6a,6a]B[6a,6a]C[5a,6a])(C[5a,6a]C[5a,6a]S[5a])(C[5a]C[5a]H){1|C<4>,1|S<2>,4|C<3>}	N[6a,6a](C[5a,6a]C[5a,6a]C[5a])2(B[6a,6a]C[5a,6a]2){2|H<1>,2|S<2>,6|C<3>}	C[5a](C[5a,6a]C[5a,6a]N[6a,6a])(C[5a]S[5a]C)(H){1|B<3>,2|C<3>}	128.4775	0.264	6	128.4775	0.070	6	128.4775	0.070	6	128.4775	0.070	6	128.4775	0.070	6	129.7224	6.444	51
727	217	727	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6]	3:3:3:	3:3:4:	3:3:4:	C[5a,6]-3:C[5a,6a]-3:N[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:N[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[5a]C[6a])(N[6a]C[6a]C)	N[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]N[6a]O)(CH3)	C[5a,6](C[5a,6a]C[5a,6a]N[6a])(N[5a,6]C[6,6a]C[5a])(C[6]C[6a]N[6]H)	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[5a]C[6a])(N[6a]C[6a]C){1|H<1>,2|N<3>,2|O<1>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]N[6a]O)(CH3){1|N<3>,2|C<3>,2|C<4>}	C[5a,6](C[5a,6a]C[5a,6a]N[6a])(N[5a,6]C[6,6a]C[5a])(C[6]C[6a]N[6]H){2|C<4>,7|C<3>}	131.0690	0.000	1	131.0690	0.000	1	131.0690	0.000	1	131.0690	0.000	1	131.0690	0.000	1	129.7224	6.444	51
727	217	727	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[5a]C[6a])(N[6a]C[6a]H)	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[5a]C[6a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[5a]C[6a])(N[6a]C[6a]H){2|H<1>,4|C<3>}	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[5a]C[6a])(N[6a]C[6a]){3|H<1>,4|C<3>}	128.0670	0.136	2	128.0670	0.018	2	128.0670	0.018	2	128.0670	0.018	2	129.9936	3.349	5	129.7224	6.444	51
727	217	727	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[5a]C[6a])(N[6a]C[6a]C)	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[5a]C[6a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[5a]C[6a])(N[6a]C[6a]C){2|H<1>,4|C<3>}	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(CH3){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[5a]C[6a])(N[6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	130.4600	0.000	1	131.2780	0.503	3	131.2780	0.503	3	131.2780	0.503	3	129.9936	3.349	5	129.7224	6.444	51
727	217	727	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[5a]C[6a])(N[6a]C[6a]C)	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[5a]C[6a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[5a]C[6a])(N[6a]C[6a]C){3|C<3>,3|H<1>}	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(CH3){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[5a]C[6a])(N[6a]C[6a]){1|C<4>,3|C<3>,3|H<1>}	131.6870	0.045	2	131.2780	0.503	3	131.2780	0.503	3	131.2780	0.503	3	129.9936	3.349	5	129.7224	6.444	51
727	217	727	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	N[5a,6a]-3:C[5a]-3:N[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:Br-1:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]Br)(N[6a]C[6a]H)	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]H)(Br)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]Br)(N[6a]C[6a]H){1|H<1>,1|O<1>,2|C<3>}	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|Br<1>,1|H<1>,1|N<2>,2|C<3>}	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]H)(Br){1|H<1>,2|C<3>}	133.8660	0.000	1	133.8660	0.000	1	133.8660	0.000	1	133.7336	0.409	5	130.7385	7.259	28	129.7224	6.444	51
727	217	727	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	N[5a,6a]-3:C[5a]-3:N[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a]H)	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]C)(H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>}	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]C)(H){1|H<1>,2|C<3>}	134.6670	0.000	1	134.6670	0.000	1	133.7005	0.538	4	133.7336	0.409	5	130.7385	7.259	28	129.7224	6.444	51
727	217	727	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	N[5a,6a]-3:C[5a]-3:N[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a]H)	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]C)(H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>}	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|N<2>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]C)(H){1|H<1>,2|C<3>}	133.8400	0.000	1	133.8400	0.000	1	133.7005	0.538	4	133.7336	0.409	5	130.7385	7.259	28	129.7224	6.444	51
727	217	727	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	N[5a,6a]-3:C[5a]-3:N[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a]H)	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]H)(H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a]H){1|H<1>,1|O<1>,2|C<3>}	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|N<2>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]H)(H){1|H<1>,2|C<3>}	133.1475	0.224	2	133.1475	0.050	2	133.7005	0.538	4	133.7336	0.409	5	130.7385	7.259	28	129.7224	6.444	51
727	217	727	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:N[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]C[5a]S[5a])(N[6a]C[6a]H)	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]S[5a])(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]C[5a]S[5a])(N[6a]C[6a]H){1|H<1>,1|O<1>,1|S<2>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|N<3>,1|O<1>,1|S<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]S[5a])(S[5a]C[5a]){1|N<3>,2|H<1>,4|C<3>}	127.1760	0.194	2	127.1760	0.038	2	127.1760	0.038	2	127.1760	0.038	2	130.7385	7.259	28	129.7224	6.444	51
727	217	727	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:N[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(N[6a]C[6a]H)	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(N[6a]C[6a]H){1|C<4>,1|O<1>,4|C<3>}	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){3|H<1>,4|C<3>}	133.4640	0.000	1	133.4640	0.000	1	133.4640	0.000	1	133.4640	0.000	1	130.7385	7.259	28	129.7224	6.444	51
727	217	727	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a]	3:3:3:	3:3:1:	3:4:2:	C[5a,6a]-3:C[5a]-3:N[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5]-4:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]S[5a]C[5])(N[6a]C[6a]H)	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]O)(H)	C[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(S[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]S[5a]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>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|N<2>,1|S<2>}	C[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(S[5a]N[5a]){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	129.3162	0.768	4	129.0152	0.608	6	129.0152	0.608	6	129.0152	0.608	6	130.7385	7.259	28	129.7224	6.444	51
727	217	727	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a]	3:3:3:	3:3:1:	3:4:2:	C[5a,6a]-3:C[5a]-3:N[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5]-4:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]S[5a]C[5])(N[6a]C[6a]H)	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]O)(H)	C[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(S[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]S[5a]C[5])(N[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|S<2>}	C[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(S[5a]N[5a]){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	128.4130	0.423	2	129.0152	0.608	6	129.0152	0.608	6	129.0152	0.608	6	130.7385	7.259	28	129.7224	6.444	51
727	217	727	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a]	3:3:3:	3:3:3:	3:2:1:	N[5a,6a]-3:C[5a]-3:N[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]N[5a]H)(N[6a]C[6a]2)	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2)	C[5a](C[5a,6a]N[5a,6a]N[6a])(N[5a]C[5a])(H)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]N[5a]H)(N[6a]C[6a]2){1|O<1>,5|C<3>}	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2){1|N<2>,3|H<1>,5|C<3>}	C[5a](C[5a,6a]N[5a,6a]N[6a])(N[5a]C[5a])(H){4|C<3>}	132.7290	0.000	1	132.7290	0.000	1	132.7290	0.000	1	132.7290	0.000	1	130.7385	7.259	28	129.7224	6.444	51
727	217	727	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:N[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(N[6a]C[6a]2)	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]O[5a]O)(CCO)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(N[6a]C[6a]2){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,3|H<1>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]O[5a]O)(CCO){3|C<3>}	134.5595	0.271	2	134.5595	0.073	2	134.5595	0.073	2	134.5595	0.073	2	130.7385	7.259	28	129.7224	6.444	51
727	217	727	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a]	3:3:3:	3:3:4:	3:2:3:	N[5a,6a,6a]-3:C[5a]-3:N[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a](N[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(N[6a]C[6a]C)	N[6a](C[5a,6a]N[5a,6a,6a]C[5a])(C[6a]C[6a]2)(CCHH)	C[5a](C[5a,6a]N[5a,6a,6a]N[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[5a,6a](N[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(N[6a]C[6a]C){6|C<3>}	N[6a](C[5a,6a]N[5a,6a,6a]C[5a])(C[6a]C[6a]2)(CCHH){1|H<1>,1|N<2>,5|C<3>}	C[5a](C[5a,6a]N[5a,6a,6a]N[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	135.4300	0.000	1	135.4300	0.000	1	135.4300	0.000	1	135.4300	0.000	1	130.7385	7.259	28	129.7224	6.444	51
727	217	727	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a,6a]-3:C[5a]-3:N[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(N[6a]C[6a]C)	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CCHH)	C[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(N[6a]C[6a]C){2|C<3>,3|H<1>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CCHH){2|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(H){1|C<4>,3|C<3>}	130.5620	0.000	1	130.5620	0.000	1	130.5620	0.000	1	129.8470	1.022	2	130.7385	7.259	28	129.7224	6.444	51
727	217	727	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a]	3:3:3:	3:3:4:	3:3:1:	N[5a,6a]-3:C[5a]-3:N[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a,6a]H)(N[6a]C[6a]C)	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]O)(CC[6a]HH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]N[6a])(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a,6a]H)(N[6a]C[6a]C){1|O<1>,4|C<3>}	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]O)(CC[6a]HH){1|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]N[6a])(H){1|C<4>,1|H<1>,4|C<3>}	129.1320	0.000	1	129.1320	0.000	1	129.1320	0.000	1	129.8470	1.022	2	130.7385	7.259	28	129.7224	6.444	51
727	217	727	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a]	3:3:3:	3:3:4:	3:3:2:	C[5a,6a]-3:C[5a]-3:N[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]C[5a]S[5a])(N[6a]C[6a,6a]C)	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]N[6a])(CCHH)	C[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]S[5a])(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]C[5a]S[5a])(N[6a]C[6a,6a]C){1|N<2>,1|S<2>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]N[6a])(CCHH){1|N<2>,1|S<2>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]S[5a])(S[5a]C[5a]){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	129.6930	0.000	1	129.6930	0.000	1	129.6930	0.000	1	129.6930	0.000	1	130.7385	7.259	28	129.7224	6.444	51
727	217	727	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a]	3:3:3:	3:3:4:	3:3:4:	C[5a,6a]-3:C[5a]-3:N[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:N[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(N[6a]C[6a]C)	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]O)(CH3)	C[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a]C[6a])(CC[5a]HO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(N[6a]C[6a]C){1|N<3>,2|C<3>,2|O<1>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]O)(CH3){1|N<3>,2|C<3>,2|C<4>}	C[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a]C[6a])(CC[5a]HO){1|C<4>,5|C<3>}	131.2120	0.433	2	131.2120	0.187	2	131.2120	0.187	2	131.2120	0.187	2	130.7385	7.259	28	129.7224	6.444	51
727	217	727	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a]	3:3:3:	3:4:3:	3:2:1:	C[5a,6a]-3:N[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5]-4:C[6a]-3:	C[5a,6a]-3:S[5a]-2:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a]C[5])(C[5a]S[5a]H)	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[5]C[5]O[5]H)(C[6a]N[6a]O)	C[5a](C[5a,6a]C[5a,6a]N[6a])(S[5a]C[5a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a]C[5])(C[5a]S[5a]H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[5]C[5]O[5]H)(C[6a]N[6a]O){1|O<2>,1|S<2>,2|C<3>,2|C<4>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]N[6a])(S[5a]C[5a])(H){1|C<4>,1|H<1>,2|C<3>}	128.4400	0.000	1	127.6907	0.441	3	128.2028	1.014	5	128.2028	1.014	5	130.7385	7.259	28	129.7224	6.444	51
727	217	727	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a]	3:3:3:	3:4:3:	3:2:1:	C[5a,6a]-3:N[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5]-4:C[6a]-3:	C[5a,6a]-3:S[5a]-2:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a]C[5])(C[5a]S[5a]H)	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[5]C[5]O[5]H)(C[6a]N[6a]O)	C[5a](C[5a,6a]C[5a,6a]N[6a])(S[5a]C[5a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a]C[5])(C[5a]S[5a]H){1|H<1>,1|N<3>,1|O<2>,2|C<4>,2|O<1>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[5]C[5]O[5]H)(C[6a]N[6a]O){1|O<2>,1|S<2>,2|C<3>,2|C<4>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]N[6a])(S[5a]C[5a])(H){2|C<3>,2|C<4>}	127.3160	0.198	2	127.6907	0.441	3	128.2028	1.014	5	128.2028	1.014	5	130.7385	7.259	28	129.7224	6.444	51
727	217	727	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a]	3:3:3:	3:4:3:	3:2:1:	C[5a,6a]-3:N[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5]-4:C[6a]-3:	C[5a,6a]-3:S[5a]-2:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C[5])(C[5a]S[5a]H)	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[5]C[5]O[5]H)(C[6a]N[6a]O)	C[5a](C[5a,6a]C[5a,6a]N[6a])(S[5a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C[5])(C[5a]S[5a]H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|O<2>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[5]C[5]O[5]H)(C[6a]N[6a]O){1|C<3>,1|N<2>,1|O<2>,1|S<2>,2|C<4>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]N[6a])(S[5a]N[5a])(H){1|C<4>,2|C<3>}	129.7480	0.000	1	128.9710	1.207	2	128.2028	1.014	5	128.2028	1.014	5	130.7385	7.259	28	129.7224	6.444	51
727	217	727	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a]	3:3:3:	3:4:3:	3:2:1:	C[5a,6a]-3:N[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5]-4:C[6a]-3:	C[5a,6a]-3:S[5a]-2:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C[5])(C[5a]S[5a]H)	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[5]C[5]O[5]H)(C[6a]N[6a]O)	C[5a](C[5a,6a]C[5a,6a]N[6a])(S[5a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C[5])(C[5a]S[5a]H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[5]C[5]O[5]H)(C[6a]N[6a]O){1|C<3>,1|N<2>,1|O<2>,1|S<2>,2|C<4>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]N[6a])(S[5a]N[5a])(H){1|C<4>,2|C<3>}	128.1940	0.000	1	128.9710	1.207	2	128.2028	1.014	5	128.2028	1.014	5	130.7385	7.259	28	129.7224	6.444	51
727	217	727	0:SP2_SP2_SP2	C[5a]	N[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:N[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:I-1:	C[5a](C[5a]C[5a,6a]I)(N[5a]C[5a,6a]H)(N[6a]C[6a]2)	N[6a](C[5a]C[5a]N[5a])(C[6a]C[6a,6a]O)(C[6a]N[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N[6a])(I)	C[5a](C[5a]C[5a,6a]I)(N[5a]C[5a,6a]H)(N[6a]C[6a]2){1|H<1>,1|N<2>,1|O<1>,3|C<3>}	N[6a](C[5a]C[5a]N[5a])(C[6a]C[6a,6a]O)(C[6a]N[6a]H){1|H<1>,1|I<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N[6a])(I){2|H<1>,4|C<3>}	128.1550	0.000	1	128.1550	0.000	1	128.1550	0.000	1	128.1550	0.000	1	127.2200	1.476	4	129.7224	6.444	51
727	217	727	0:SP2_SP2_SP2	C[5a]	N[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:N[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(N[6a]C[6a]2)	N[6a](C[5a]C[5a]N[5a])(C[6a]C[6a,6a]O)(C[6a]N[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N[6a])(CH3)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(N[6a]C[6a]2){1|H<1>,1|N<2>,1|O<1>,3|C<3>}	N[6a](C[5a]C[5a]N[5a])(C[6a]C[6a,6a]O)(C[6a]N[6a]H){2|C<4>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N[6a])(CH3){1|C<4>,1|H<1>,4|C<3>}	125.4460	0.000	1	125.4460	0.000	1	126.9083	1.632	3	126.9083	1.632	3	127.2200	1.476	4	129.7224	6.444	51
727	217	727	0:SP2_SP2_SP2	C[5a]	N[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:N[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(N[6a]C[6a]2)	N[6a](C[5a]C[5a]N[5a])(C[6a]C[6a,6a]O)(C[6a]N[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N[6a])(CH3)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(N[6a]C[6a]2){1|H<1>,1|N<2>,1|O<1>,3|C<3>}	N[6a](C[5a]C[5a]N[5a])(C[6a]C[6a,6a]O)(C[6a]N[6a]H){1|C<4>,1|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N[6a])(CH3){2|H<1>,4|C<3>}	127.6395	0.237	2	127.6395	0.056	2	126.9083	1.632	3	126.9083	1.632	3	127.2200	1.476	4	129.7224	6.444	51
727	217	727	6:SP2_SP2_SP2	C[5,6,6a]	N[6,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	N[6,6a]-3:C[5,6a]-3:C[5,6]-3:	C[5,6,6a]-3:C[6a,6a]-3:C[6,6a]-3:	C[5,6,6a]-3:C[6a]-3:C[5]-3:	C[5,6,6a](N[6,6a]C[6a,6a]C[6,6a])(C[5,6a]C[6a]C[5])(C[5,6]C[5]N[6])	N[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])	C[5,6a](C[5,6,6a]N[6,6a]C[5,6])(C[6a]C[6a,6a]O)(C[5]C[6a]C[5])	C[5,6,6a](N[6,6a]C[6a,6a]C[6,6a])(C[5,6a]C[6a]C[5])(C[5,6]C[5]N[6]){1|Br<1>,1|O<1>,5|C<3>}	N[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a]){1|N<2>,2|H<1>,7|C<3>}	C[5,6a](C[5,6,6a]N[6,6a]C[5,6])(C[6a]C[6a,6a]O)(C[5]C[6a]C[5]){1|Br<1>,1|N<2>,5|C<3>}	128.1520	0.000	1	128.1520	0.000	1	128.1520	0.000	1	128.1520	0.000	1	128.1520	0.000	1	121.7660	2.559	401
727	217	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:2:	3:3:3:	3:3:3:	N[6a]-3:C[5,6a]-3:S[5]-2:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](N[6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(S[5]S[5])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]S[5])(C[6a]C[6a]2)	C[5,6a](C[5,6a]N[6a]S[5])(C[6a]C[6a,6a]O)(C[5]S[5]N)	C[5,6a](N[6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(S[5]S[5]){1|N<2>,1|O<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]S[5])(C[6a]C[6a]2){1|S<2>,3|H<1>,6|C<3>}	C[5,6a](C[5,6a]N[6a]S[5])(C[6a]C[6a,6a]O)(C[5]S[5]N){3|C<3>}	124.6060	0.000	1	124.6060	0.000	1	124.6060	0.000	1	124.6060	0.000	1	121.6537	4.691	95	121.7660	2.559	401
727	217	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:2:	3:3:4:	3:3:2:	C[5,6a]-3:N[6a]-3:N[5]-2:	C[5,6a]-3:C[5,6a]-3:C-4:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(N[6a]C[5,6a]C)(N[5]S[5])	N[6a](C[5,6a]C[5,6a]N[5])2(CCHH)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[5,6a]Cl)(S[5]S[5])	C[5,6a](C[5,6a]C[6a]S[5])(N[6a]C[5,6a]C)(N[5]S[5]){1|Cl<1>,1|C<3>,1|N<2>}	N[6a](C[5,6a]C[5,6a]N[5])2(CCHH){1|C<3>,4|S<2>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[5,6a]Cl)(S[5]S[5]){1|C<3>,1|C<4>,1|S<2>}	118.4260	0.414	2	118.4260	0.172	2	118.7613	0.294	24	120.1441	3.553	48	121.6537	4.691	95	121.7660	2.559	401
727	217	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:2:	3:3:4:	3:3:2:	C[5,6a]-3:N[6a]-3:N[5]-2:	C[5,6a]-3:C[5,6a]-3:C-4:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(N[6a]C[5,6a]C)(N[5]S[5])	N[6a](C[5,6a]C[5,6a]N[5])2(CCHH)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[5,6a]F)(S[5]S[5])	C[5,6a](C[5,6a]C[6a]S[5])(N[6a]C[5,6a]C)(N[5]S[5]){1|C<3>,1|F<1>,1|N<2>}	N[6a](C[5,6a]C[5,6a]N[5])2(CCHH){1|C<3>,4|S<2>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[5,6a]F)(S[5]S[5]){1|C<3>,1|C<4>,1|S<2>}	119.1368	0.345	8	119.1368	0.119	8	118.7613	0.294	24	120.1441	3.553	48	121.6537	4.691	95	121.7660	2.559	401
727	217	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:2:	3:3:4:	3:3:2:	C[5,6a]-3:N[6a]-3:N[5]-2:	C[5,6a]-3:C[5,6a]-3:C-4:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(N[6a]C[5,6a]C)(N[5]S[5])	N[6a](C[5,6a]C[5,6a]N[5])2(CCHH)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[5,6a]H)(S[5]S[5])	C[5,6a](C[5,6a]C[6a]S[5])(N[6a]C[5,6a]C)(N[5]S[5]){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[5,6a]C[5,6a]N[5])2(CCHH){1|C<3>,4|S<2>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[5,6a]H)(S[5]S[5]){1|C<3>,1|C<4>,1|S<2>}	118.2755	0.506	2	118.2755	0.256	2	118.7613	0.294	24	120.1441	3.553	48	121.6537	4.691	95	121.7660	2.559	401
727	217	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:2:	3:3:4:	3:3:2:	C[5,6a]-3:N[6a]-3:N[5]-2:	C[5,6a]-3:C[5,6a]-3:C-4:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(N[6a]C[5,6a]C)(N[5]S[5])	N[6a](C[5,6a]C[5,6a]N[5])2(CH3)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[5,6a]Cl)(S[5]S[5])	C[5,6a](C[5,6a]C[6a]S[5])(N[6a]C[5,6a]C)(N[5]S[5]){1|Cl<1>,1|C<3>,1|N<2>}	N[6a](C[5,6a]C[5,6a]N[5])2(CH3){1|C<3>,4|S<2>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[5,6a]Cl)(S[5]S[5]){1|C<3>,1|C<4>,1|S<2>}	118.6775	0.708	4	118.6775	0.502	4	118.7613	0.294	24	120.1441	3.553	48	121.6537	4.691	95	121.7660	2.559	401
727	217	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:2:	3:3:4:	3:3:2:	C[5,6a]-3:N[6a]-3:N[5]-2:	C[5,6a]-3:C[5,6a]-3:C-4:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(N[6a]C[5,6a]C)(N[5]S[5])	N[6a](C[5,6a]C[5,6a]N[5])2(CH3)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[5,6a]F)(S[5]S[5])	C[5,6a](C[5,6a]C[6a]S[5])(N[6a]C[5,6a]C)(N[5]S[5]){1|C<3>,1|F<1>,1|N<2>}	N[6a](C[5,6a]C[5,6a]N[5])2(CH3){1|C<3>,4|S<2>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[5,6a]F)(S[5]S[5]){1|C<3>,1|C<4>,1|S<2>}	118.6607	0.632	6	118.6607	0.399	6	118.7613	0.294	24	120.1441	3.553	48	121.6537	4.691	95	121.7660	2.559	401
727	217	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:2:	3:3:4:	3:3:2:	C[5,6a]-3:N[6a]-3:N[5]-2:	C[5,6a]-3:C[5,6a]-3:C-4:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(N[6a]C[5,6a]C)(N[5]S[5])	N[6a](C[5,6a]C[5,6a]N[5])2(CH3)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[5,6a]H)(S[5]S[5])	C[5,6a](C[5,6a]C[6a]S[5])(N[6a]C[5,6a]C)(N[5]S[5]){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[5,6a]C[5,6a]N[5])2(CH3){1|C<3>,4|S<2>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[5,6a]H)(S[5]S[5]){1|C<3>,1|C<4>,1|S<2>}	118.5495	0.080	2	118.5495	0.006	2	118.7613	0.294	24	120.1441	3.553	48	121.6537	4.691	95	121.7660	2.559	401
727	217	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:2:	3:3:4:	3:3:2:	C[5,6a]-3:N[6a]-3:N[5]-2:	C[5,6a]-3:C[6,6a]-3:C-4:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(N[6a]C[6,6a]C)(N[5]S[5])	N[6a](C[5,6a]C[5,6a]N[5])(C[6,6a]C[6,6a]N[6])(CH3)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6,6a]H)(S[5]S[5])	C[5,6a](C[5,6a]C[6a]S[5])(N[6a]C[6,6a]C)(N[5]S[5]){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6,6a]C[6,6a]N[6])(CH3){2|C<3>,3|S<2>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6,6a]H)(S[5]S[5]){1|C<3>,1|C<4>,1|S<2>}	118.7310	0.268	4	118.7310	0.072	4	118.7310	0.072	4	120.1441	3.553	48	121.6537	4.691	95	121.7660	2.559	401
727	217	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:2:	3:3:4:	3:3:2:	C[5,6a]-3:N[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]C[5])	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(CH3)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]C[5]){1|H<1>,1|N<3>,2|O<1>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(CH3){1|C<4>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]){1|C<3>,1|H<1>,2|C<4>}	122.3670	0.198	2	122.3670	0.039	2	122.5990	0.049	17	120.1441	3.553	48	121.6537	4.691	95	121.7660	2.559	401
727	217	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:2:	3:3:4:	3:3:2:	C[5,6a]-3:N[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]N[5])	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(CH3)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]N[5])	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]N[5]){1|N<3>,2|O<1>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,2|N<2>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]N[5]){1|C<3>,2|C<4>}	122.6161	0.212	14	122.6299	0.045	15	122.5990	0.049	17	120.1441	3.553	48	121.6537	4.691	95	121.7660	2.559	401
727	217	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:2:	3:3:4:	3:3:2:	C[5,6a]-3:N[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]N[5])	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(CH3)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]N[5])	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]N[5]){1|N<3>,2|O<1>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(CH3){1|C<3>,1|H<1>,2|N<2>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]N[5]){1|C<3>,1|C<4>,1|H<1>}	122.8230	0.000	1	122.6299	0.045	15	122.5990	0.049	17	120.1441	3.553	48	121.6537	4.691	95	121.7660	2.559	401
727	217	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:2:	3:3:4:	3:3:2:	C[5,6a]-3:N[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(N[6a]C[6a]C)(N[5]S[5])	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]N)(CCHH)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]F)(S[5]S[5])	C[5,6a](C[5,6a]C[6a]S[5])(N[6a]C[6a]C)(N[5]S[5]){1|C<3>,1|F<1>,1|N<2>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]N)(CCHH){1|C<3>,1|S<1>,2|S<2>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]F)(S[5]S[5]){1|C<3>,1|C<4>,1|S<1>}	119.2795	0.135	2	119.2795	0.018	2	119.1793	0.039	3	120.1441	3.553	48	121.6537	4.691	95	121.7660	2.559	401
727	217	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:2:	3:3:4:	3:3:2:	C[5,6a]-3:N[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(N[6a]C[6a]C)(N[5]S[5])	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]N)(CH3)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]F)(S[5]S[5])	C[5,6a](C[5,6a]C[6a]S[5])(N[6a]C[6a]C)(N[5]S[5]){1|C<3>,1|F<1>,1|N<2>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]N)(CH3){1|C<3>,1|S<1>,2|S<2>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]F)(S[5]S[5]){1|C<3>,1|C<4>,1|S<1>}	118.9790	0.000	1	118.9790	0.000	1	119.1793	0.039	3	120.1441	3.553	48	121.6537	4.691	95	121.7660	2.559	401
727	217	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:2:	3:3:4:	3:3:3:	C[5,6a]-3:N[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a]C)(N[5]C[5])	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(CH3)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a]C)(N[5]C[5]){1|N<3>,2|C<3>,2|O<1>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(CH3){1|C<4>,3|C<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(C[5]C[5]C){2|C<3>,2|C<4>}	123.7300	0.000	1	123.7300	0.000	1	123.7300	0.000	1	123.0533	0.616	4	121.6537	4.691	95	121.7660	2.559	401
727	217	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:2:	3:3:4:	3:3:3:	C[5,6a]-3:N[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]N[5])	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(CH3)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]N[5]Ni)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]N[5]){2|Ni<6>,1|N<3>,2|O<1>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,2|N<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]N[5]Ni){1|Ni<6>,1|C<3>,2|C<4>}	122.8277	0.787	3	122.8277	0.619	3	122.8277	0.619	3	123.0533	0.616	4	121.6537	4.691	95	121.7660	2.559	401
727	217	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:2:	3:3:4:	3:3:4:	C[5,6a]-3:N[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a]C)(O[5]C[5])	N[6a](C[5,6a]C[5,6a]O[5])(C[6a]N[6a]O)(CH3)	C[5,6a](C[5,6a]N[6a]O[5])(C[6a]N[6a]O)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a]C)(O[5]C[5]){1|C<2>,1|H<1>,1|N<3>,2|C<3>,2|O<1>}	N[6a](C[5,6a]C[5,6a]O[5])(C[6a]N[6a]O)(CH3){1|C<3>,3|C<4>}	C[5,6a](C[5,6a]N[6a]O[5])(C[6a]N[6a]O)(C[5]C[5]CC){1|H<1>,2|C<3>,2|C<4>}	123.9850	0.000	1	123.9850	0.000	1	123.9850	0.000	1	123.9850	0.000	1	121.6537	4.691	95	121.7660	2.559	401
727	217	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:2:	3:3:4:	3:4:3:	C[5,6a]-3:N[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a]C)(O[5]C[5,6])	N[6a](C[5,6a]C[5,6a]O[5])(C[6a]N[6a]O)(CH3)	C[5,6a](C[5,6a]N[6a]O[5])(C[5]C[5,6]CC)(C[6a]N[6a]O)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a]C)(O[5]C[5,6]){1|N<3>,2|C<3>,2|C<4>,2|O<1>}	N[6a](C[5,6a]C[5,6a]O[5])(C[6a]N[6a]O)(CH3){1|C<3>,3|C<4>}	C[5,6a](C[5,6a]N[6a]O[5])(C[5]C[5,6]CC)(C[6a]N[6a]O){2|C<4>,3|C<3>}	126.3620	0.000	1	126.3620	0.000	1	126.3620	0.000	1	126.3620	0.000	1	121.6537	4.691	95	121.7660	2.559	401
727	217	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]H)(N[5]C[5]H)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N)(H)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|H<1>,2|N<3>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]H){1|C<3>,4|H<1>}	123.3945	0.507	2	123.3945	0.257	2	123.4885	0.224	6	123.4885	0.224	6	121.6537	4.691	95	121.7660	2.559	401
727	217	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]H)(N[5]C[5]H)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(H)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|H<1>,2|N<2>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(N[5]C[5]H){1|C<3>,3|H<1>}	123.5960	0.000	1	123.5960	0.000	1	123.4885	0.224	6	123.4885	0.224	6	121.6537	4.691	95	121.7660	2.559	401
727	217	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]H)(N[5]C[5]H)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(H)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]H)(N[5]C[5]H){1|N<3>,2|H<1>,2|O<1>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]H){1|C<3>,4|H<1>}	123.5153	0.644	3	123.5153	0.415	3	123.4885	0.224	6	123.4885	0.224	6	121.6537	4.691	95	121.7660	2.559	401
727	217	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[5,6a]-3:N[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(N[6a]C[6a]C)	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a,6a]O)(CCHH)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(N[6a]C[6a]C){1|H<1>,2|O<1>,4|C<3>}	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a,6a]O)(CCHH){5|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]O){1|C<4>,1|H<1>,5|C<3>}	121.9645	0.029	2	121.9645	0.001	2	122.0866	0.608	5	123.1299	0.963	28	121.6537	4.691	95	121.7660	2.559	401
727	217	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[5,6a]-3:N[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(N[6a]C[6a]C)	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a,6a]O)(CC[6a]HH)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(N[6a]C[6a]C){1|H<1>,2|O<1>,4|C<3>}	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a,6a]O)(CC[6a]HH){5|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]O){1|C<4>,1|H<1>,5|C<3>}	121.6925	1.013	2	122.1680	1.192	3	122.0866	0.608	5	123.1299	0.963	28	121.6537	4.691	95	121.7660	2.559	401
727	217	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[5,6a]-3:N[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(N[6a]C[6a]C)	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a,6a]O)(CC[6a]HH)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(N[6a]C[6a]C){2|O<1>,5|C<3>}	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a,6a]O)(CC[6a]HH){5|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]O){1|C<4>,1|H<1>,5|C<3>}	123.1190	0.000	1	122.1680	1.192	3	122.0866	0.608	5	123.1299	0.963	28	121.6537	4.691	95	121.7660	2.559	401
727	217	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:N[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]C[5]C)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CH3)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]C[5]C){1|C<3>,1|C<4>,3|H<1>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|C<4>,2|H<1>}	121.8540	0.000	1	121.8540	0.000	1	123.3580	0.806	22	123.1299	0.963	28	121.6537	4.691	95	121.7660	2.559	401
727	217	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:N[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]C[5]C)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(CH3)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]C[5]C){1|C<4>,1|H<1>,1|N<3>,2|O<1>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(CH3){1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C){1|C<3>,1|H<1>,3|C<4>}	123.2300	0.648	4	123.0885	0.301	6	123.3580	0.806	22	123.1299	0.963	28	121.6537	4.691	95	121.7660	2.559	401
727	217	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:N[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]C[5]C)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(CH3)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]C[5]C){1|Pt<4>,1|C<4>,1|N<3>,2|O<1>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(CH3){1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C){1|Pt<4>,1|C<3>,3|C<4>}	122.7710	0.000	1	123.0885	0.301	6	123.3580	0.806	22	123.1299	0.963	28	121.6537	4.691	95	121.7660	2.559	401
727	217	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:N[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]C[5]C)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(CH3)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]C[5]C){1|Rh<6>,1|C<4>,1|N<3>,2|O<1>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(CH3){1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C){1|Rh<6>,1|C<3>,3|C<4>}	122.8400	0.000	1	123.0885	0.301	6	123.3580	0.806	22	123.1299	0.963	28	121.6537	4.691	95	121.7660	2.559	401
727	217	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:N[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]C[5]C)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(CH3)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]Ru)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]C[5]C){1|Ru<6>,1|H<1>,1|N<3>,2|O<1>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(CH3){1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]Ru){1|C<3>,1|H<1>,3|C<4>}	124.8250	0.000	1	124.8250	0.000	1	123.3580	0.806	22	123.1299	0.963	28	121.6537	4.691	95	121.7660	2.559	401
727	217	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:N[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]C[5]Cu)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(CH3)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]C[5]Cu){1|C<4>,1|H<1>,1|N<3>,2|O<1>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(CH3){1|Cu<5>,1|C<4>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C){1|Cu<5>,1|C<3>,1|H<1>,2|C<4>}	121.6085	0.247	2	121.6085	0.061	2	123.3580	0.806	22	123.1299	0.963	28	121.6537	4.691	95	121.7660	2.559	401
727	217	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:N[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]C[5]H)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(CH3)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]C[5]H){1|C<4>,1|H<1>,1|N<3>,2|O<1>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C){1|C<3>,2|C<4>,2|H<1>}	123.9240	0.213	3	124.1206	0.111	5	123.3580	0.806	22	123.1299	0.963	28	121.6537	4.691	95	121.7660	2.559	401
727	217	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:N[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]C[5]H)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(CH3)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]C[5]H){1|C<4>,1|H<1>,1|N<3>,2|O<1>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(CH3){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C){1|C<3>,1|C<4>,3|H<1>}	124.4155	0.248	2	124.1206	0.111	5	123.3580	0.806	22	123.1299	0.963	28	121.6537	4.691	95	121.7660	2.559	401
727	217	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:N[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]C[5]H)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(CH3)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]C[5]H){1|N<3>,2|H<1>,2|O<1>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]H){1|C<3>,2|C<4>,2|H<1>}	123.5494	0.364	7	123.5494	0.132	7	123.3580	0.806	22	123.1299	0.963	28	121.6537	4.691	95	121.7660	2.559	401
727	217	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:N[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]C[5]C)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(CH3)	C[5,6a](C[5,6a]N[6a]N[5])(N[5]C[6a]C[5])(C[6a]N[6a]O)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]C[5]C){1|C<3>,1|H<1>,1|N<3>,2|O<1>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(CH3){1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]N[6a]N[5])(N[5]C[6a]C[5])(C[6a]N[6a]O){1|H<1>,3|C<3>,3|C<4>}	123.3280	0.000	1	123.3280	0.000	1	123.3280	0.000	1	123.1299	0.963	28	121.6537	4.691	95	121.7660	2.559	401
727	217	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,5a]-3:C[5,6a]-3:N[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a,6a]C[5])(N[6a]C[6a]C)	N[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a,6a]O)(CC[6a]HH)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,5a]N[6a])(C[5]C[5,5a]C[6a]H)	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a,6a]C[5])(N[6a]C[6a]C){1|H<1>,1|O<1>,5|C<3>}	N[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a,6a]O)(CC[6a]HH){1|C<4>,1|S<2>,3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,5a]N[6a])(C[5]C[5,5a]C[6a]H){1|C<4>,1|H<1>,1|S<2>,6|C<3>}	122.7370	0.000	1	122.7370	0.000	1	122.7370	0.000	1	122.7370	0.000	1	121.6537	4.691	95	121.7660	2.559	401
727	217	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:4:	3:3:4:	3:3:3:	C[5,6a]-3:N[6a]-3:C[5]-4:	C[5,6a]-3:B[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]B[6a]C)(C[5]C[5]HH)	N[6a](C[5,6a]C[5,6a]C[5])(B[6a]C[6a]2)(CH3)	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]B[6a]C)(C[5]C[5]HH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[5,6a]C[5,6a]C[5])(B[6a]C[6a]2)(CH3){1|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|B<3>,2|C<4>,4|H<1>}	122.0090	0.000	1	122.0090	0.000	1	122.0090	0.000	1	122.0090	0.000	1	121.6537	4.691	95	121.7660	2.559	401
727	217	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:4:	3:3:4:	3:3:4:	C[5,6a]-3:N[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a]C)(C[5]C[5]HH)	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(CH3)	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a]C)(C[5]C[5]HH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(CH3){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){1|C<3>,1|C<4>,5|H<1>}	122.5730	0.000	1	122.5730	0.000	1	122.5730	0.000	1	122.5730	0.000	1	121.6537	4.691	95	121.7660	2.559	401
727	217	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:4:	3:4:3:	3:3:4:	C[5,6a]-3:N[6a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a]C[5])(C[5]C[5]HH)	N[6a](C[5,6a]C[5,6a]C[5])(C[5]C[5]O[5]H)(C[6a]N[6a]O)	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]N[6a]N)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a]C[5])(C[5]C[5]HH){1|C<4>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,5|H<1>}	N[6a](C[5,6a]C[5,6a]C[5])(C[5]C[5]O[5]H)(C[6a]N[6a]O){1|C<3>,4|C<4>,4|H<1>}	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]N[6a]N)(C[5]C[5]HH){1|C<3>,1|C<4>,4|H<1>}	121.1820	0.000	1	121.1820	0.000	1	121.1820	0.000	1	121.1820	0.000	1	121.6537	4.691	95	121.7660	2.559	401
727	217	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:4:	C[5,6]-4:C[5,6a]-3:N[6a]-3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6]N[5,6]C[6]C)(C[5,6a]C[6a]C[5])(N[6a]C[6a,6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5,6])(H)	C[5,6a](C[5,6a]C[5,6]N[6a])(C[6a]C[6a,6a]O)(C[5]N[5,6]HH)	C[5,6a](C[5,6]N[5,6]C[6]C)(C[5,6a]C[6a]C[5])(N[6a]C[6a,6a]H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5,6])(H){1|H<1>,1|N<3>,3|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,6]N[6a])(C[6a]C[6a,6a]O)(C[5]N[5,6]HH){1|H<1>,2|C<4>,3|C<3>}	122.9750	2.102	2	122.9750	4.416	2	122.9750	4.416	2	122.9750	4.416	2	121.6537	4.691	95	121.7660	2.559	401
727	217	727	6:SP2_SP2_SP2	C[5a,6,6a]	N[6,6a]	C[5a,6,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6,6a]-3:C[5a,6a]-3:N[6,6a]-3:	C[5a,6,6a]-3:B[6a]-3:C[6]-4:	C[5a,6,6a]-3:C[5a,6a]-3:N[6,6a]-3:	C[5a,6,6a](C[5a,6,6a]C[5a,6a]N[6,6a])(C[5a,6a]C[5a,6a]S[5a])(N[6,6a]B[6a]C[6])	N[6,6a](C[5a,6,6a]C[5a,6,6a]C[5a,6a])(B[6a]C[5a,6a]C[6a])(C[6]C[6]HH)	C[5a,6,6a](C[5a,6,6a]C[5a,6a]N[6,6a])(C[5a,6a]C[5a,6a]S[5a])(N[6,6a]B[6a]C[6])	C[5a,6,6a](C[5a,6,6a]C[5a,6a]N[6,6a])(C[5a,6a]C[5a,6a]S[5a])(N[6,6a]B[6a]C[6]){1|B<3>,1|C<4>,1|S<2>,2|H<1>,3|C<3>}	N[6,6a](C[5a,6,6a]C[5a,6,6a]C[5a,6a])(B[6a]C[5a,6a]C[6a])(C[6]C[6]HH){1|N<3>,1|S<2>,2|H<1>,5|C<3>}	C[5a,6,6a](C[5a,6,6a]C[5a,6a]N[6,6a])(C[5a,6a]C[5a,6a]S[5a])(N[6,6a]B[6a]C[6]){1|B<3>,1|C<4>,1|S<2>,2|H<1>,3|C<3>}	123.7155	0.525	2	123.7155	0.276	2	123.7155	0.276	2	123.7155	0.276	2	123.7155	0.276	2	121.7660	2.559	401
727	217	727	6:SP2_SP2_SP2	C[5a,6,6a]	N[6,6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:2:	C[5a,6,6a]-3:C[5a,6a]-3:N[6,6a]-3:	C[5a,6,6a]-3:B[6a]-3:C[6]-4:	C[5a,6,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6,6a](C[5a,6,6a]C[5a,6a]N[6,6a])(C[5a,6a]C[5a,6a]S[5a])(N[6,6a]B[6a]C[6])	N[6,6a](C[5a,6,6a]C[5a,6,6a]C[5a,6a])(B[6a]C[5a,6a]C[6a])(C[6]C[6]HH)	C[5a,6a](C[5a,6,6a]C[5a,6,6a]N[6,6a])(C[5a,6a]C[5a,6a]S[5a])(S[5a]C[5a,6a])	C[5a,6,6a](C[5a,6,6a]C[5a,6a]N[6,6a])(C[5a,6a]C[5a,6a]S[5a])(N[6,6a]B[6a]C[6]){1|B<3>,1|C<4>,1|S<2>,2|H<1>,3|C<3>}	N[6,6a](C[5a,6,6a]C[5a,6,6a]C[5a,6a])(B[6a]C[5a,6a]C[6a])(C[6]C[6]HH){1|N<3>,1|S<2>,2|H<1>,5|C<3>}	C[5a,6a](C[5a,6,6a]C[5a,6,6a]N[6,6a])(C[5a,6a]C[5a,6a]S[5a])(S[5a]C[5a,6a]){1|B<3>,1|C<4>,1|N<3>,3|C<3>}	123.2890	0.161	2	123.2890	0.026	2	123.2890	0.026	2	123.2890	0.026	2	123.2890	0.026	2	121.7660	2.559	401
727	217	727	6:SP2_SP2_SP2	C[5a,6]	N[6,6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:N[6,6a]-3:C[5a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:N[5a]-3:	C[5a,6](C[5a,6]C[6,6a]N[5a])(N[6,6a]C[6,6a]C[6a])(C[5a]C[5a]C[6a])	N[6,6a](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	C[5a,6](C[5a,6]N[6,6a]C[5a])(C[6,6a]C[6,6a]C[6a])(N[5a]C[5a]C)	C[5a,6](C[5a,6]C[6,6a]N[5a])(N[6,6a]C[6,6a]C[6a])(C[5a]C[5a]C[6a]){1|C<4>,2|H<1>,6|C<3>}	N[6,6a](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	C[5a,6](C[5a,6]N[6,6a]C[5a])(C[6,6a]C[6,6a]C[6a])(N[5a]C[5a]C){2|H<1>,5|C<3>}	119.7560	0.000	1	119.7560	0.000	1	119.7560	0.000	1	119.7560	0.000	1	119.7560	0.000	1	121.7660	2.559	401
727	217	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	N[6a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(S[5a]C[5a])	N[6a,6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]O)	C[5a,6a](C[5a,6a]N[6a,6a]S[5a])(C[5a]C[5a]C)(C[6a]N[6a]O)	C[5a,6a](N[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(S[5a]C[5a]){1|N<3>,2|C<3>,2|C<4>,2|O<1>}	N[6a,6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]O){1|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]N[6a,6a]S[5a])(C[5a]C[5a]C)(C[6a]N[6a]O){1|C<4>,1|H<1>,2|C<3>}	123.4130	0.000	1	123.4130	0.000	1	123.4130	0.000	1	123.4130	0.000	1	120.3069	1.941	7	121.7660	2.559	401
727	217	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	N[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:B[6a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a](N[6a,6a]B[6a,6a]C[5a,6a])(C[5a,6a]C[5a,6a]S[5a])(C[5a]C[5a]H)	N[6a,6a](C[5a,6a]C[5a,6a]C[5a])2(B[6a,6a]C[5a,6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]N[6a,6a]C[5a])(S[5a]C[5a])	C[5a,6a](N[6a,6a]B[6a,6a]C[5a,6a])(C[5a,6a]C[5a,6a]S[5a])(C[5a]C[5a]H){1|C<4>,1|S<2>,4|C<3>}	N[6a,6a](C[5a,6a]C[5a,6a]C[5a])2(B[6a,6a]C[5a,6a]2){2|H<1>,2|S<2>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]N[6a,6a]C[5a])(S[5a]C[5a]){1|B<3>,1|C<4>,1|H<1>,3|C<3>}	119.7892	0.279	6	119.7892	0.078	6	119.7892	0.078	6	119.7892	0.078	6	120.3069	1.941	7	121.7660	2.559	401
727	217	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:2:3:	3:3:4:	3:3:3:	C[5a,6a]-3:N[5a]-2:N[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]N[5a,6])(N[6a]C[6a]C)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(CCHH)	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]N[5a,6])(N[6a]C[6a]C){1|H<1>,1|O<1>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(CCHH){1|C<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	121.9150	0.000	1	121.9150	0.000	1	121.9150	0.000	1	121.9150	0.000	1	121.7987	1.703	293	121.7660	2.559	401
727	217	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]H)(N[5a]C[5a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]H)(N[5a]C[5a]){1|N<2>,1|N<3>,2|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(H){1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,2|H<1>}	118.9440	0.000	1	118.9440	0.000	1	118.9440	0.000	1	118.9440	0.000	1	121.7987	1.703	293	121.7660	2.559	401
727	217	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a]H)(N[5a]C[5a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a]H)(N[5a]C[5a]){1|Cl<1>,1|N<2>,3|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(H){3|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(C[5a]C[5a]H){1|C<3>,2|H<1>}	124.8430	0.000	1	124.8430	0.000	1	124.8430	0.000	1	122.8527	2.979	3	121.7987	1.703	293	121.7660	2.559	401
727	217	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]H)(N[5a]C[5a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]O)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|O<1>,3|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]O)(N[5a]C[5a]H){1|C<3>,3|H<1>}	121.8575	0.122	2	121.8575	0.015	2	121.8575	0.015	2	122.8527	2.979	3	121.7987	1.703	293	121.7660	2.559	401
727	217	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]2)(N[5a]N[5a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]N[6a]O)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N[6])(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]2)(N[5a]N[5a]){1|N<2>,1|N<3>,1|O<1>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]N[6a]O){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N[6])(N[5a]N[5a]){2|C<4>,3|C<3>}	122.4870	0.000	1	122.4870	0.000	1	122.4870	0.000	1	122.4870	0.000	1	121.7987	1.703	293	121.7660	2.559	401
727	217	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:N[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a]C)(O[5a]C[5a])	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]N[6a]O)(CHH)	C[5a,6a](C[5a,6a]N[6a]O[5a])(C[5a]C[5a]C)(C[6a]N[6a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a]C)(O[5a]C[5a]){1|N<3>,2|C<3>,2|O<1>}	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]N[6a]O)(CHH){4|C<3>}	C[5a,6a](C[5a,6a]N[6a]O[5a])(C[5a]C[5a]C)(C[6a]N[6a]O){4|C<3>}	125.6700	0.000	1	125.6700	0.000	1	125.6700	0.000	1	125.6700	0.000	1	121.7987	1.703	293	121.7660	2.559	401
727	217	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:4:	3:3:2:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCHH)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a]){2|C<3>,2|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCHH){1|Br<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Br<1>,1|C<4>,2|C<3>}	120.8000	0.000	1	120.8000	0.000	1	121.6056	0.778	11	121.4589	0.776	13	121.7987	1.703	293	121.7660	2.559	401
727	217	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:4:	3:3:2:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC[6a]HH)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a]){2|C<3>,2|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC[6a]HH){1|Br<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Br<1>,1|C<4>,2|C<3>}	120.8980	0.312	3	120.8980	0.098	3	121.6056	0.778	11	121.4589	0.776	13	121.7987	1.703	293	121.7660	2.559	401
727	217	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:4:	3:3:2:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(CC[6]HH)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a]){1|N<2>,1|N<3>,2|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(CC[6]HH){1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	120.7590	0.000	1	120.7590	0.000	1	121.6056	0.778	11	121.4589	0.776	13	121.7987	1.703	293	121.7660	2.559	401
727	217	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:4:	3:3:2:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a]){1|H<1>,1|O<1>,2|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3){1|C<4>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|H<1>,2|C<4>}	121.4675	0.373	2	121.4675	0.139	2	121.6056	0.778	11	121.4589	0.776	13	121.7987	1.703	293	121.7660	2.559	401
727	217	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:4:	3:3:2:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]N[5a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]N[5a]){1|Cu<5>,1|N<3>,2|O<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]N[5a]){1|Cu<5>,1|C<3>,2|C<4>}	122.7035	0.361	2	122.6185	0.144	4	121.6056	0.778	11	121.4589	0.776	13	121.7987	1.703	293	121.7660	2.559	401
727	217	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:4:	3:3:2:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]N[5a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]N[5a]){1|Ni<6>,1|N<3>,2|O<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]N[5a]){1|Ni<6>,1|C<3>,2|C<4>}	122.5335	0.523	2	122.6185	0.144	4	121.6056	0.778	11	121.4589	0.776	13	121.7987	1.703	293	121.7660	2.559	401
727	217	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:4:	3:3:2:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:C[5]-4:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C[5])(N[5a]C[5a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(C[5]C[5]2H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C[5])(N[5a]C[5a]){1|C<3>,1|C<4>,1|N<2>,1|N<3>,3|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(C[5]C[5]2H){1|C<4>,1|N<2>,1|O<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	120.6520	0.030	2	120.6520	0.001	2	120.6520	0.001	2	121.4589	0.776	13	121.7987	1.703	293	121.7660	2.559	401
727	217	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:4:	3:3:3:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[6a]C[6a,6a]C)(N[5a]C[5a,6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(CC[6a]HH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[6a]C[6a,6a]C)(N[5a]C[5a,6a]){1|H<1>,4|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(CC[6a]HH){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a,6a]H){1|C<4>,1|H<1>,4|C<3>}	120.1890	0.000	1	120.1890	0.000	1	119.7650	0.360	2	121.8731	0.861	227	121.7987	1.703	293	121.7660	2.559	401
727	217	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:4:	3:3:3:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[6a]C[6a,6a]C)(N[5a]C[5a,6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[6a]C[6a,6a]C)(N[5a]C[5a,6a]){1|H<1>,4|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(CH3){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a,6a]H){1|C<4>,1|H<1>,4|C<3>}	119.3410	0.000	1	119.3410	0.000	1	119.7650	0.360	2	121.8731	0.861	227	121.7987	1.703	293	121.7660	2.559	401
727	217	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:4:	3:3:3:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a]C)(N[5a]C[5a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CHHO)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]Cl)(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a]C)(N[5a]C[5a]){1|Cl<1>,2|C<3>,2|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CHHO){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]Cl)(C[5a]C[5a]H){1|C<4>,1|H<1>,2|C<3>}	120.4000	0.000	1	120.4000	0.000	1	120.4000	0.000	1	121.8731	0.861	227	121.7987	1.703	293	121.7660	2.559	401
727	217	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:4:	3:3:3:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(CCHH)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a]){1|C<4>,1|N<2>,1|O<1>,2|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(CCHH){1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>}	119.8110	0.000	1	119.8110	0.000	1	121.7934	0.353	213	121.8731	0.861	227	121.7987	1.703	293	121.7660	2.559	401
727	217	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:4:	3:3:3:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CCHH)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a]){1|C<3>,1|C<4>,1|N<3>,2|O<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CCHH){1|C<4>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C){2|C<3>,2|C<4>}	122.0960	0.000	1	122.0960	0.000	1	121.7934	0.353	213	121.8731	0.861	227	121.7987	1.703	293	121.7660	2.559	401
727	217	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:4:	3:3:3:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CCHH)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a]){1|Br<1>,1|H<1>,1|N<3>,2|O<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CCHH){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]H){1|Br<1>,1|C<3>,1|C<4>,1|H<1>}	122.3160	0.000	1	121.8193	0.228	3	121.7934	0.353	213	121.8731	0.861	227	121.7987	1.703	293	121.7660	2.559	401
727	217	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:4:	3:3:3:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CCHH)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a]){1|C<3>,1|H<1>,1|N<3>,2|O<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CCHH){1|C<4>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]H){2|C<3>,2|C<4>}	121.3640	0.000	1	121.8193	0.228	3	121.7934	0.353	213	121.8731	0.861	227	121.7987	1.703	293	121.7660	2.559	401
727	217	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:4:	3:3:3:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CCHH)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a]){1|C<4>,1|H<1>,1|N<3>,2|O<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CCHH){1|C<4>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]H){1|C<3>,3|C<4>}	121.7780	0.000	1	121.8193	0.228	3	121.7934	0.353	213	121.8731	0.861	227	121.7987	1.703	293	121.7660	2.559	401
727	217	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:4:	3:3:3:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a]){1|C<3>,1|C<4>,1|N<3>,2|O<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3){1|C<4>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C){2|C<3>,2|C<4>}	121.7456	0.363	5	121.8232	0.430	137	121.7934	0.353	213	121.8731	0.861	227	121.7987	1.703	293	121.7660	2.559	401
727	217	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:4:	3:3:3:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a]){1|C<4>,1|H<1>,1|N<3>,2|O<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3){1|C<4>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C){1|C<3>,1|H<1>,2|C<4>}	121.7873	0.673	111	121.8232	0.430	137	121.7934	0.353	213	121.8731	0.861	227	121.7987	1.703	293	121.7660	2.559	401
727	217	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:4:	3:3:3:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a]){1|C<4>,1|H<1>,1|N<3>,2|O<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C){1|C<3>,1|C<4>,2|H<1>}	122.3862	0.265	13	121.8232	0.430	137	121.7934	0.353	213	121.8731	0.861	227	121.7987	1.703	293	121.7660	2.559	401
727	217	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:4:	3:3:3:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a]){1|C<4>,1|I<1>,1|N<3>,2|O<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3){1|C<4>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C){1|C<3>,1|I<1>,2|C<4>}	121.5065	0.624	2	121.8232	0.430	137	121.7934	0.353	213	121.8731	0.861	227	121.7987	1.703	293	121.7660	2.559	401
727	217	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:4:	3:3:3:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a]){1|C<4>,1|N<2>,1|N<3>,2|O<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3){1|C<4>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C){1|C<3>,1|N<2>,2|C<4>}	120.8940	0.000	1	121.8232	0.430	137	121.7934	0.353	213	121.8731	0.861	227	121.7987	1.703	293	121.7660	2.559	401
727	217	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:4:	3:3:3:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a]){1|C<4>,2|N<3>,2|O<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3){1|C<4>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C){1|C<3>,1|N<3>,2|C<4>}	121.3610	0.088	2	121.8232	0.430	137	121.7934	0.353	213	121.8731	0.861	227	121.7987	1.703	293	121.7660	2.559	401
727	217	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:4:	3:3:3:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a]){1|N<3>,2|C<4>,2|O<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3){1|C<4>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C){1|C<3>,3|C<4>}	121.1820	0.000	1	121.8232	0.430	137	121.7934	0.353	213	121.8731	0.861	227	121.7987	1.703	293	121.7660	2.559	401
727	217	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:4:	3:3:3:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a]){1|Pd<4>,1|C<4>,1|N<3>,2|O<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3){1|C<4>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C){1|Pd<4>,1|C<3>,2|C<4>}	121.9195	0.779	2	121.8232	0.430	137	121.7934	0.353	213	121.8731	0.861	227	121.7987	1.703	293	121.7660	2.559	401
727	217	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:4:	3:3:3:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a]){1|C<3>,1|H<1>,1|N<3>,2|O<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3){1|C<4>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]H){2|C<3>,2|C<4>}	121.9790	0.000	1	121.7584	0.167	71	121.7934	0.353	213	121.8731	0.861	227	121.7987	1.703	293	121.7660	2.559	401
727	217	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:4:	3:3:3:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a]){1|N<3>,2|H<1>,2|O<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3){1|C<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]H){1|C<1>,1|C<3>,1|C<4>,1|H<1>}	121.2430	0.000	1	121.7584	0.167	71	121.7934	0.353	213	121.8731	0.861	227	121.7987	1.703	293	121.7660	2.559	401
727	217	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:4:	3:3:3:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a]){1|N<3>,2|H<1>,2|O<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3){1|C<4>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]H){1|C<3>,1|H<1>,2|C<4>}	121.7627	0.409	69	121.7584	0.167	71	121.7934	0.353	213	121.8731	0.861	227	121.7987	1.703	293	121.7660	2.559	401
727	217	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:4:	3:3:3:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3)	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[5a]C[5a]Co)(C[6a]N[6a]O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a]){1|Co<6>,1|H<1>,1|N<3>,2|O<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3){1|C<4>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[5a]C[5a]Co)(C[6a]N[6a]O){1|C<3>,1|H<1>,2|C<4>}	122.8930	0.000	1	122.8930	0.000	1	122.2770	0.375	7	121.8731	0.861	227	121.7987	1.703	293	121.7660	2.559	401
727	217	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:4:	3:3:3:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3)	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[5a]C[5a]Mg)(C[6a]N[6a]O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a]){1|Mg<6>,1|H<1>,1|N<3>,2|O<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3){1|C<4>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[5a]C[5a]Mg)(C[6a]N[6a]O){1|C<3>,1|H<1>,2|C<4>}	122.5400	0.000	1	122.5400	0.000	1	122.2770	0.375	7	121.8731	0.861	227	121.7987	1.703	293	121.7660	2.559	401
727	217	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:4:	3:3:3:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3)	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[5a]C[5a]Pt)(C[6a]N[6a]O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a]){1|Pt<4>,1|H<1>,1|N<3>,2|O<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3){1|C<4>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[5a]C[5a]Pt)(C[6a]N[6a]O){1|C<3>,1|H<1>,2|C<4>}	121.6825	0.612	2	121.6825	0.374	2	122.2770	0.375	7	121.8731	0.861	227	121.7987	1.703	293	121.7660	2.559	401
727	217	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:4:	3:3:3:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3)	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[5a]C[5a]Zn)(C[6a]N[6a]O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a]){1|Zn<4>,1|H<1>,1|N<3>,2|O<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3){1|C<4>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[5a]C[5a]Zn)(C[6a]N[6a]O){1|C<3>,1|H<1>,2|C<4>}	121.7120	0.000	1	122.3803	0.345	3	122.2770	0.375	7	121.8731	0.861	227	121.7987	1.703	293	121.7660	2.559	401
727	217	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:4:	3:3:3:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3)	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[5a]C[5a]Zn)(C[6a]N[6a]O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a]){1|Zn<5>,1|H<1>,1|N<3>,2|O<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3){1|C<4>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[5a]C[5a]Zn)(C[6a]N[6a]O){1|C<3>,1|H<1>,2|C<4>}	122.7145	0.139	2	122.3803	0.345	3	122.2770	0.375	7	121.8731	0.861	227	121.7987	1.703	293	121.7660	2.559	401
727	217	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:4:	3:3:3:	C[5a,6a]-3:N[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a,6a]C)(O[5a]C[5a])	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a])(CH3)	C[5a,6a](C[5a,6a]N[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a,6a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a,6a]C)(O[5a]C[5a]){1|O<1>,4|C<3>}	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a])(CH3){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]N[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a,6a]O){1|C<4>,5|C<3>}	128.5830	0.000	1	128.5830	0.000	1	128.5830	0.000	1	121.8731	0.861	227	121.7987	1.703	293	121.7660	2.559	401
727	217	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:4:	3:3:3:	C[5a,6a]-3:N[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a]C)(O[5a]C[5a])	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CH3)	C[5a,6a](C[5a,6a]N[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a]C)(O[5a]C[5a]){1|H<1>,1|O<1>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CH3){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]O){1|C<4>,1|H<1>,4|C<3>}	126.6780	0.000	1	126.6780	0.000	1	126.6870	0.000	2	121.8731	0.861	227	121.7987	1.703	293	121.7660	2.559	401
727	217	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:4:	3:3:3:	C[5a,6a]-3:N[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a]C)(O[5a]C[5a])	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]N[6a]O)(CCHH)	C[5a,6a](C[5a,6a]N[6a]O[5a])(C[5a]C[5a]C)(C[6a]N[6a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a]C)(O[5a]C[5a]){1|N<3>,2|C<3>,2|O<1>}	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]N[6a]O)(CCHH){1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]N[6a]O[5a])(C[5a]C[5a]C)(C[6a]N[6a]O){2|C<3>,2|C<4>}	126.6960	0.000	1	126.6960	0.000	1	126.6870	0.000	2	121.8731	0.861	227	121.7987	1.703	293	121.7660	2.559	401
727	217	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:4:	3:3:3:	C[5a,6a]-3:N[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[3]-4:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a,6a]C[3])(S[5a]N[5a])	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a,6a]C[6a])(C[3]C[3]2H)	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[6a]C[6a,6a]O)(C[5a]N[5a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a,6a]C[3])(S[5a]N[5a]){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a,6a]C[6a])(C[3]C[3]2H){1|N<2>,1|O<2>,4|C<3>,4|H<1>}	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[6a]C[6a,6a]O)(C[5a]N[5a]O){1|C<4>,2|C<3>}	125.3670	0.000	1	125.3670	0.000	1	125.3670	0.000	1	121.8731	0.861	227	121.7987	1.703	293	121.7660	2.559	401
727	217	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:4:3:	3:3:3:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5]-4:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a]C[5])(N[5a]C[5a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[5]C[5]O[5]H)(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]N[6a]N)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a]C[5])(N[5a]C[5a]){1|C<2>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[5]C[5]O[5]H)(C[6a]N[6a]H){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]N[6a]N){1|C<3>,1|C<4>,1|H<1>}	119.2600	0.000	1	119.2600	0.000	1	119.2600	0.000	1	119.2600	0.000	1	121.7987	1.703	293	121.7660	2.559	401
727	217	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:N[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]S[5a]C[5])(N[6a]C[6a]H)	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]N[6a]N)(N[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]S[5a]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>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|N<2>,1|S<2>}	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]N[6a]N)(N[5a]S[5a]){1|C<3>,1|C<4>,1|H<1>}	119.3505	0.215	4	119.3505	0.046	4	119.6805	0.322	6	119.6805	0.322	6	121.7987	1.703	293	121.7660	2.559	401
727	217	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:N[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]S[5a]C[5])(N[6a]C[6a]H)	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]N[6a]O)(N[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]S[5a]C[5])(N[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|S<2>}	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]N[6a]O)(N[5a]S[5a]){1|C<3>,1|C<4>,2|H<1>}	120.3405	0.405	2	120.3405	0.164	2	119.6805	0.322	6	119.6805	0.322	6	121.7987	1.703	293	121.7660	2.559	401
727	217	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[5a]C[6a])(N[6a]C[6a]H)	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[5a]C[6a])(N[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[5a]C[6a])(N[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[5a]C[6a])(N[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	128.5460	0.000	1	128.5460	0.000	1	128.5460	0.000	1	123.0095	7.163	11	121.7987	1.703	293	121.7660	2.559	401
727	217	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[5a]C[6a])(N[6a]C[6a]H)	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a,6a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[5a]C[6a])(N[6a]C[6a]H){2|H<1>,4|C<3>}	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a,6a]C[5])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>,2|S<2>}	121.7060	0.175	2	121.7060	0.031	2	122.0097	0.292	3	123.0095	7.163	11	121.7987	1.703	293	121.7660	2.559	401
727	217	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[5a]C[6a])(N[6a]C[6a]H)	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a,6a]O)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[5a]C[6a])(N[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a,6a]O)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	122.6170	0.000	1	122.6170	0.000	1	122.0097	0.292	3	123.0095	7.163	11	121.7987	1.703	293	121.7660	2.559	401
727	217	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:N[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:N[6a]-3:	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]C[5a]S[5a])(N[6a]C[6a]H)	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]C[5a]S[5a])(N[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]C[5a]S[5a])(N[6a]C[6a]H){1|H<1>,1|O<1>,1|S<2>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|N<3>,1|O<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]C[5a]S[5a])(N[6a]C[6a]H){1|H<1>,1|O<1>,1|S<2>,3|C<3>}	119.3250	0.102	2	119.3250	0.010	2	119.3250	0.010	2	123.0095	7.163	11	121.7987	1.703	293	121.7660	2.559	401
727	217	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a]H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a]H){1|C<4>,1|O<1>,4|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|C<2>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|C<2>,1|H<1>,4|C<3>}	123.5150	0.000	1	123.5150	0.000	1	122.8505	0.883	2	123.0095	7.163	11	121.7987	1.703	293	121.7660	2.559	401
727	217	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a]H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|N<2>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|H<1>,3|C<3>}	122.1860	0.000	1	122.1860	0.000	1	122.8505	0.883	2	123.0095	7.163	11	121.7987	1.703	293	121.7660	2.559	401
727	217	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a]C[5a]H)(N[6a]C[6a]H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]O)(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a]C[5a]H)(N[6a]C[6a]H){1|O<1>,4|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]O)(H){1|H<1>,4|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C){3|H<1>,4|C<3>}	124.5890	0.590	2	124.5890	0.348	2	124.5890	0.348	2	123.0095	7.163	11	121.7987	1.703	293	121.7660	2.559	401
727	217	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a,6a]H)(N[5a]C[5a]H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a,6a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a,6a]H)(N[5a]C[5a]H){1|O<1>,4|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(H){2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a,6a]O){2|H<1>,5|C<3>}	125.0000	0.000	1	125.0000	0.000	1	125.0000	0.000	1	123.0095	7.163	11	121.7987	1.703	293	121.7660	2.559	401
727	217	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:N[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(N[6a]C[6a]2)	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(N[6a]C[6a]2){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,3|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(O[5a]C[5a]){1|H<1>,1|O<1>,3|C<3>}	117.5405	0.172	2	117.5405	0.030	2	117.5405	0.030	2	117.5405	0.030	2	121.7987	1.703	293	121.7660	2.559	401
727	217	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(N[6a]C[6a]2)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(N[6a]C[6a]2){1|O<1>,6|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)2{1|Br<1>,1|C<4>,2|H<1>,7|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]O){1|Br<1>,1|C<4>,1|H<1>,4|C<3>}	122.3310	0.089	2	122.3310	0.008	2	122.3310	0.008	2	122.3310	0.008	2	121.7987	1.703	293	121.7660	2.559	401
727	217	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:2:	C[5a,6a]-3:C[5a]-3:N[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]C[5a]S[5a])(N[6a]C[6a,6a]C)	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]N[6a])(CCHH)	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]C[5a]S[5a])(N[6a]C[6a,6a])	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]C[5a]S[5a])(N[6a]C[6a,6a]C){1|N<2>,1|S<2>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]N[6a])(CCHH){1|N<2>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]C[5a]S[5a])(N[6a]C[6a,6a]){1|C<4>,1|S<2>,4|C<3>}	117.4580	0.000	1	117.4580	0.000	1	117.4580	0.000	1	120.7580	21.780	2	121.7987	1.703	293	121.7660	2.559	401
727	217	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:2:	C[5a,6a]-3:N[5a,6a]-3:N[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(N[5a,6a]C[5a,6a]C[6a])(N[6a]C[6a]C)	N[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a,6a]O)(CC[6a]HH)	C[5a,6a](C[5a,6a]N[5a,6a]N[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(N[5a,6a]C[5a,6a]C[6a])(N[6a]C[6a]C){1|H<1>,1|O<1>,4|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a,6a]O)(CC[6a]HH){1|N<2>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]N[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]){1|C<4>,1|H<1>,5|C<3>}	124.0580	0.000	1	124.0580	0.000	1	124.0580	0.000	1	120.7580	21.780	2	121.7987	1.703	293	121.7660	2.559	401
727	217	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:N[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[5a]C[6a])(N[6a]C[6a]C)	N[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]N[6a]O)(CH3)	C[5a,6a](C[5a,6a]C[5a,6]N[6a])(C[5a]N[5a,6]C[6a])(C[6a]N[6a]O)	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[5a]C[6a])(N[6a]C[6a]C){1|H<1>,2|N<3>,2|O<1>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]N[6a]O)(CH3){1|N<3>,2|C<3>,2|C<4>}	C[5a,6a](C[5a,6a]C[5a,6]N[6a])(C[5a]N[5a,6]C[6a])(C[6a]N[6a]O){3|C<4>,4|C<3>}	120.3810	0.000	1	120.3810	0.000	1	120.3810	0.000	1	122.0599	3.037	17	121.7987	1.703	293	121.7660	2.559	401
727	217	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[5a]C[6a])(N[6a]C[6a]C)	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[5a]C[6a])(N[6a]C[6a]C){2|H<1>,4|C<3>}	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(CH3){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	120.9590	0.000	1	120.9590	0.000	1	120.2987	0.338	3	122.0599	3.037	17	121.7987	1.703	293	121.7660	2.559	401
727	217	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[5a]C[6a])(N[6a]C[6a]C)	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[5a]C[6a])(N[6a]C[6a]C){3|C<3>,3|H<1>}	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(CH3){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	119.9685	0.151	2	119.9685	0.023	2	120.2987	0.338	3	122.0599	3.037	17	121.7987	1.703	293	121.7660	2.559	401
727	217	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[5a]-3:N[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(N[6a]C[6a]C)	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CCHH)	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(N[6a]C[6a]C){2|C<3>,3|H<1>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CCHH){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	119.8600	0.000	1	119.8600	0.000	1	120.1833	0.088	3	122.0599	3.037	17	121.7987	1.703	293	121.7660	2.559	401
727	217	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[5a]-3:N[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(N[6a]C[6a]C)	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]O)(CH3)	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]C[6a]N[5a])(C[6a]N[6a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(N[6a]C[6a]C){1|N<3>,2|C<3>,2|O<1>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]O)(CH3){1|N<3>,2|C<3>,2|C<4>}	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]C[6a]N[5a])(C[6a]N[6a]O){3|C<4>,4|C<3>}	120.3450	0.141	2	120.3450	0.020	2	120.1833	0.088	3	122.0599	3.037	17	121.7987	1.703	293	121.7660	2.559	401
727	217	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)(N[6a]C[6a]C)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]N[6a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)(N[6a]C[6a]C){1|C<3>,1|C<4>,1|N<3>,2|O<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3){2|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]N[6a]O){1|C<3>,4|C<4>}	123.7810	0.000	1	123.7810	0.000	1	122.9137	0.879	7	122.0599	3.037	17	121.7987	1.703	293	121.7660	2.559	401
727	217	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)(N[6a]C[6a]C)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]N[6a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)(N[6a]C[6a]C){1|C<3>,1|H<1>,1|N<3>,2|O<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3){2|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]N[6a]O){2|C<3>,3|C<4>}	121.9480	0.438	2	121.9480	0.192	2	122.9137	0.879	7	122.0599	3.037	17	121.7987	1.703	293	121.7660	2.559	401
727	217	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(N[6a]C[6a]C)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]N[6a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(N[6a]C[6a]C){1|N<3>,2|O<1>,4|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3){1|C<4>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]N[6a]O){2|C<4>,3|C<3>}	122.1500	0.000	1	122.1500	0.000	1	122.9137	0.879	7	122.0599	3.037	17	121.7987	1.703	293	121.7660	2.559	401
727	217	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(N[6a]C[6a]C)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6a])(C[6a]N[6a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(N[6a]C[6a]C){1|N<3>,2|O<1>,4|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3){1|C<4>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6a])(C[6a]N[6a]O){2|C<4>,5|C<3>}	124.0060	0.000	1	124.0060	0.000	1	122.9137	0.879	7	122.0599	3.037	17	121.7987	1.703	293	121.7660	2.559	401
727	217	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a]C)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a]C){1|H<1>,1|N<3>,2|O<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3){1|N<2>,2|C<3>,2|C<4>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]O){1|C<3>,3|C<4>}	123.2815	0.644	2	123.2815	0.415	2	122.9137	0.879	7	122.0599	3.037	17	121.7987	1.703	293	121.7660	2.559	401
727	217	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]H)(N[6a]C[6a]C)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]O)(CC[6a]HH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]H)(N[6a]C[6a]C){1|O<1>,4|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]O)(CC[6a]HH){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a]){1|C<4>,3|H<1>,5|C<3>}	124.2375	0.299	2	124.2375	0.089	2	124.2375	0.089	2	122.0599	3.037	17	121.7987	1.703	293	121.7660	2.559	401
727	217	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a]C[6a]N[5a])(N[6a]C[6a]C)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]O)(CH3)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a]C[6a]N[5a])(N[6a]C[6a]C){1|C<4>,1|O<1>,4|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]O)(CH3){1|N<2>,4|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C){1|C<4>,1|H<1>,4|C<3>}	124.3200	0.000	1	124.3200	0.000	1	124.3200	0.000	1	122.0599	3.037	17	121.7987	1.703	293	121.7660	2.559	401
727	217	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:3:	3:4:3:	3:3:2:	C[5a,6a]-3:N[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5]-4:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C[5])(C[5a]S[5a]H)	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[5]C[5]O[5]H)(C[6a]N[6a]O)	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]N[6a]N)(N[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C[5])(C[5a]S[5a]H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|O<2>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[5]C[5]O[5]H)(C[6a]N[6a]O){1|C<3>,1|N<2>,1|O<2>,1|S<2>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]N[6a]N)(N[5a]S[5a]){1|C<3>,1|C<4>,1|H<1>}	119.1890	0.000	1	119.1890	0.000	1	120.1140	1.711	2	120.1140	1.711	2	121.7987	1.703	293	121.7660	2.559	401
727	217	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:3:	3:4:3:	3:3:2:	C[5a,6a]-3:N[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5]-4:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C[5])(C[5a]S[5a]H)	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[5]C[5]O[5]H)(C[6a]N[6a]O)	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]N[6a]O)(N[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C[5])(C[5a]S[5a]H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[5]C[5]O[5]H)(C[6a]N[6a]O){1|C<3>,1|N<2>,1|O<2>,1|S<2>,2|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]N[6a]O)(N[5a]S[5a]){1|C<3>,1|C<4>,2|H<1>}	121.0390	0.000	1	121.0390	0.000	1	120.1140	1.711	2	120.1140	1.711	2	121.7987	1.703	293	121.7660	2.559	401
727	217	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:3:	3:4:3:	3:3:3:	C[5a,6a]-3:N[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5]-4:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a]C[5])(C[5a]S[5a]H)	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[5]C[5]O[5]H)(C[6a]N[6a]O)	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]S[5a]C)(C[6a]N[6a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a]C[5])(C[5a]S[5a]H){1|H<1>,1|N<3>,1|O<2>,2|C<4>,2|O<1>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[5]C[5]O[5]H)(C[6a]N[6a]O){1|O<2>,1|S<2>,2|C<3>,2|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]S[5a]C)(C[6a]N[6a]O){1|C<3>,1|C<4>,2|H<1>}	119.7105	0.354	2	119.7105	0.126	2	119.4470	0.271	3	119.4470	0.271	3	121.7987	1.703	293	121.7660	2.559	401
727	217	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:3:	3:4:3:	3:3:3:	C[5a,6a]-3:N[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5]-4:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a]C[5])(C[5a]S[5a]H)	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[5]C[5]O[5]H)(C[6a]N[6a]O)	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]S[5a]H)(C[6a]N[6a]N)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a]C[5])(C[5a]S[5a]H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[5]C[5]O[5]H)(C[6a]N[6a]O){1|O<2>,1|S<2>,2|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]S[5a]H)(C[6a]N[6a]N){1|C<3>,1|C<4>,1|H<1>}	118.9200	0.000	1	118.9200	0.000	1	119.4470	0.271	3	119.4470	0.271	3	121.7987	1.703	293	121.7660	2.559	401
727	217	813	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:N[5a,6a]-3:N[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(N[5a,6a]C[5a,6a]C[6a])(N[6a]C[6a]C)	N[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a,6a]O)(CC[6a]HH)	N[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(N[5a,6a]C[5a,6a]C[6a])(N[6a]C[6a]C){1|H<1>,1|O<1>,4|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a,6a]O)(CC[6a]HH){1|N<2>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	129.3650	0.000	1	129.3650	0.000	1	129.3650	0.000	1	129.3650	0.000	1	129.3650	0.000	1	125.9861	8.393	22
727	217	813	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:N[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a]C[5a]H)(N[6a]C[6a]H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]O)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C[6a])(H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a]C[5a]H)(N[6a]C[6a]H){1|O<1>,4|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]O)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C[6a])(H){1|H<1>,5|C<3>}	124.3020	0.208	2	124.3020	0.043	2	124.3020	0.043	2	124.4487	0.086	3	126.8966	3.639	17	125.9861	8.393	22
727	217	813	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a,6a]H)(N[5a]C[5a]H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a,6a]H)(N[5a]C[5a]H){1|O<1>,4|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(H){2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C)(H){1|H<1>,3|C<3>}	124.7420	0.000	1	124.7420	0.000	1	124.7420	0.000	1	124.4487	0.086	3	126.8966	3.639	17	125.9861	8.393	22
727	217	813	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a]H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a]H){1|C<4>,1|O<1>,4|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|C<2>,1|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,3|H<1>,4|C<3>}	127.9930	0.000	1	128.3815	0.302	2	128.3815	0.302	2	128.3815	0.302	2	126.8966	3.639	17	125.9861	8.393	22
727	217	813	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a]H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|N<2>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,3|H<1>,4|C<3>}	128.7700	0.000	1	128.3815	0.302	2	128.3815	0.302	2	128.3815	0.302	2	126.8966	3.639	17	125.9861	8.393	22
727	217	813	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:N[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(N[6a]C[6a]2)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(N[6a]C[6a]2){1|O<1>,6|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)2{1|Br<1>,1|C<4>,2|H<1>,7|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(CH3){1|H<1>,5|C<3>}	127.1540	0.399	2	127.1540	0.159	2	127.1540	0.159	2	127.1540	0.159	2	126.8966	3.639	17	125.9861	8.393	22
727	217	813	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a]	3:3:3:	3:3:4:	3:2:4:	C[5a,6a]-3:N[5a]-3:N[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a]C)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3)	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CC[6a]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a]C){1|H<1>,1|N<3>,2|O<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3){1|N<2>,2|C<3>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	128.7460	0.000	1	128.7460	0.000	1	129.1280	0.292	2	129.1280	0.292	2	126.8966	3.639	17	125.9861	8.393	22
727	217	813	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a]	3:3:3:	3:3:4:	3:2:4:	C[5a,6a]-3:N[5a]-3:N[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a]C)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3)	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a]C){1|H<1>,1|N<3>,2|O<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3){1|N<2>,2|C<3>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CH3){1|C<4>,1|H<1>,2|C<3>}	129.5100	0.000	1	129.5100	0.000	1	129.1280	0.292	2	129.1280	0.292	2	126.8966	3.639	17	125.9861	8.393	22
727	217	813	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a,6a]-3:N[5a]-3:N[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]H)(N[6a]C[6a]C)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]O)(CC[6a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]H)(N[6a]C[6a]C){1|O<1>,4|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]O)(CC[6a]HH){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(H){1|C<4>,1|H<1>,4|C<3>}	124.1370	0.294	2	124.1370	0.087	2	124.1370	0.087	2	124.1370	0.087	2	126.8966	3.639	17	125.9861	8.393	22
727	217	813	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a]	3:3:3:	3:3:4:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a]C[6a]N[5a])(N[6a]C[6a]C)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]O)(CH3)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a]C[6a]N[5a])(N[6a]C[6a]C){1|C<4>,1|O<1>,4|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]O)(CH3){1|N<2>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<4>,2|H<1>,4|C<3>}	127.5770	0.000	1	127.5770	0.000	1	127.5770	0.000	1	127.5770	0.000	1	126.8966	3.639	17	125.9861	8.393	22
727	217	813	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(N[6a]C[6a]C)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(N[6a]C[6a]C){1|N<3>,2|O<1>,4|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3){1|C<4>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	127.2310	0.628	2	127.2310	0.394	2	127.2310	0.394	2	127.2310	0.394	2	126.8966	3.639	17	125.9861	8.393	22
727	217	813	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a]	3:3:3:	3:3:4:	3:3:4:	C[5a,6a]-3:N[5a]-3:N[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)(N[6a]C[6a]C)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C)(CCHH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)(N[6a]C[6a]C){1|C<3>,1|H<1>,1|N<3>,2|O<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3){2|C<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C)(CCHH){1|C<4>,1|H<1>,2|C<3>}	128.9100	0.318	2	128.9100	0.101	2	128.0857	2.089	3	128.0857	2.089	3	126.8966	3.639	17	125.9861	8.393	22
727	217	813	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a]	3:3:3:	3:3:4:	3:3:4:	C[5a,6a]-3:N[5a]-3:N[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)(N[6a]C[6a]C)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)(N[6a]C[6a]C){1|C<3>,1|C<4>,1|N<3>,2|O<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3){2|C<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C)(CH3){1|C<4>,3|C<3>}	126.4370	0.000	1	126.4370	0.000	1	128.0857	2.089	3	128.0857	2.089	3	126.8966	3.639	17	125.9861	8.393	22
727	217	813	0:SP2_SP2_SP2	C[5a]	N[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:N[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(N[6a]C[6a]2)	N[6a](C[5a]C[5a]N[5a])(C[6a]C[6a,6a]O)(C[6a]N[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[6a])(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(N[6a]C[6a]2){1|H<1>,1|N<2>,1|O<1>,3|C<3>}	N[6a](C[5a]C[5a]N[5a])(C[6a]C[6a,6a]O)(C[6a]N[6a]H){1|C<4>,1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[6a])(H){1|C<4>,1|H<1>,4|C<3>}	120.6725	0.217	2	120.6725	0.047	2	120.7283	0.033	3	120.7283	0.033	3	121.2715	1.202	4	125.9861	8.393	22
727	217	813	0:SP2_SP2_SP2	C[5a]	N[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:N[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]I)(N[5a]C[5a,6a]H)(N[6a]C[6a]2)	N[6a](C[5a]C[5a]N[5a])(C[6a]C[6a,6a]O)(C[6a]N[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[6a])(H)	C[5a](C[5a]C[5a,6a]I)(N[5a]C[5a,6a]H)(N[6a]C[6a]2){1|H<1>,1|N<2>,1|O<1>,3|C<3>}	N[6a](C[5a]C[5a]N[5a])(C[6a]C[6a,6a]O)(C[6a]N[6a]H){1|H<1>,1|I<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[6a])(H){1|H<1>,1|I<1>,4|C<3>}	120.8400	0.000	1	120.8400	0.000	1	120.7283	0.033	3	120.7283	0.033	3	121.2715	1.202	4	125.9861	8.393	22
727	217	813	0:SP2_SP2_SP2	C[5a]	N[6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:N[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(N[6a]C[6a]2)	N[6a](C[5a]C[5a]N[5a])(C[6a]C[6a,6a]O)(C[6a]N[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[6a])(CH3)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(N[6a]C[6a]2){1|H<1>,1|N<2>,1|O<1>,3|C<3>}	N[6a](C[5a]C[5a]N[5a])(C[6a]C[6a,6a]O)(C[6a]N[6a]H){2|C<4>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[6a])(CH3){1|C<4>,1|H<1>,4|C<3>}	122.9010	0.000	1	122.9010	0.000	1	122.9010	0.000	1	122.9010	0.000	1	121.2715	1.202	4	125.9861	8.393	22
727	217	813	6:SP2_SP2_SP2	C[5,6a]	N[6a]	N[5,6a]	3:3:3:	3:3:3:	3:3:4:	N[5,6a]-3:N[5]-3:N[6a]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](N[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(N[6a]C[6a]2)	N[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]2)(C[6a]C[6a]O)	N[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]O)(C[5]C[5]HH)	C[5,6a](N[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(N[6a]C[6a]2){2|O<1>,4|H<1>,5|C<3>}	N[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]2)(C[6a]C[6a]O){2|C<4>,2|H<1>,5|C<3>}	N[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]O)(C[5]C[5]HH){2|H<1>,4|C<3>}	119.2850	0.000	1	119.2850	0.000	1	119.2850	0.000	1	119.2850	0.000	1	119.2850	0.000	1	119.2769	0.637	23
727	217	813	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a,6a,6a]	3:3:3:	3:3:4:	3:3:3:	N[5a,6a,6a]-3:C[5a]-3:N[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a](N[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(N[6a]C[6a]C)	N[6a](C[5a,6a]N[5a,6a,6a]C[5a])(C[6a]C[6a]2)(CCHH)	N[5a,6a,6a](C[5a,6a]C[5a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a,6a]C[6a]2)	C[5a,6a](N[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(N[6a]C[6a]C){6|C<3>}	N[6a](C[5a,6a]N[5a,6a,6a]C[5a])(C[6a]C[6a]2)(CCHH){1|H<1>,1|N<2>,5|C<3>}	N[5a,6a,6a](C[5a,6a]C[5a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a,6a]C[6a]2){1|C<4>,3|C<3>,3|H<1>}	118.4440	0.000	1	118.4440	0.000	1	118.4440	0.000	1	118.4440	0.000	1	118.4440	0.000	1	119.2769	0.637	23
727	217	813	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a,6a]	3:3:2:	3:3:1:	3:3:2:	N[5a,6a]-3:N[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[6a]C[6a]H)(N[5a]C[5a])	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]C)(H)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]O)(N[5a]C[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<2>,2|C<3>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]O)(N[5a]C[5a]){1|C<3>,3|H<1>}	119.8410	0.000	1	119.3715	0.109	6	119.1032	0.895	9	119.3274	0.829	12	119.3161	0.665	21	119.2769	0.637	23
727	217	813	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a,6a]	3:3:2:	3:3:1:	3:3:2:	N[5a,6a]-3:N[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[6a]C[6a]H)(N[5a]C[5a])	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]C)(H)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]O)(N[5a]C[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|N<3>,1|O<1>}	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<2>,2|C<3>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]O)(N[5a]C[5a]){1|C<3>,1|N<3>,2|H<1>}	119.0890	0.061	2	119.3715	0.109	6	119.1032	0.895	9	119.3274	0.829	12	119.3161	0.665	21	119.2769	0.637	23
727	217	813	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a,6a]	3:3:2:	3:3:1:	3:3:2:	N[5a,6a]-3:N[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[6a]C[6a]H)(N[5a]C[5a])	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]C)(H)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]O)(N[5a]C[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|O<1>,2|C<4>}	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<2>,2|C<3>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]O)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	119.4033	0.282	3	119.3715	0.109	6	119.1032	0.895	9	119.3274	0.829	12	119.3161	0.665	21	119.2769	0.637	23
727	217	813	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a,6a]	3:3:2:	3:3:1:	3:3:2:	N[5a,6a]-3:N[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[6a]C[6a]H)(N[5a]C[5a])	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]O)(H)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|O<1>,2|C<4>}	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|H<1>,1|N<2>,2|C<3>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	119.2220	0.000	1	119.2220	0.000	1	119.1032	0.895	9	119.3274	0.829	12	119.3161	0.665	21	119.2769	0.637	23
727	217	813	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a,6a]	3:3:2:	3:3:1:	3:3:2:	N[5a,6a]-3:N[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[6a]C[6a]H)(N[5a]C[5a])	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]N[6a]O)(H)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<2>,1|N<3>,1|O<1>}	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]N[6a]O)(H){1|N<2>,2|C<3>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|H<1>,2|C<3>}	116.7100	0.000	1	116.7100	0.000	1	119.1032	0.895	9	119.3274	0.829	12	119.3161	0.665	21	119.2769	0.637	23
727	217	813	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a,6a]	3:3:2:	3:3:1:	3:3:2:	N[5a,6a]-3:N[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[6a]C[6a]H)(N[5a]N[5a])	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]O)(H)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)(N[5a]N[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,1|C<4>,1|O<1>}	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,2|N<2>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)(N[5a]N[5a]){1|C<3>,2|H<1>}	119.7680	0.000	1	119.7680	0.000	1	119.1032	0.895	9	119.3274	0.829	12	119.3161	0.665	21	119.2769	0.637	23
727	217	813	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a,6a]	3:3:2:	3:3:1:	3:3:2:	N[5a,6a]-3:N[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(N[6a]C[6a]H)(N[5a]C[5a])	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a,6a]O)(H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(N[5a]C[5a])	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(N[6a]C[6a]H)(N[5a]C[5a]){1|O<1>,1|O<2>,2|C<3>}	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a,6a]O)(H){1|N<2>,3|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(N[5a]C[5a]){1|O<2>,2|H<1>,3|C<3>}	119.7630	0.000	1	120.0000	0.072	3	120.0000	0.072	3	119.3274	0.829	12	119.3161	0.665	21	119.2769	0.637	23
727	217	813	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a,6a]	3:3:2:	3:3:1:	3:3:2:	N[5a,6a]-3:N[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(N[6a]C[6a]H)(N[5a]C[5a])	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a,6a]O)(H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(N[5a]C[5a])	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(N[6a]C[6a]H)(N[5a]C[5a]){1|O<1>,1|S<2>,2|C<3>}	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a,6a]O)(H){1|N<2>,3|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(N[5a]C[5a]){1|S<2>,2|H<1>,3|C<3>}	120.2900	0.000	1	120.0000	0.072	3	120.0000	0.072	3	119.3274	0.829	12	119.3161	0.665	21	119.2769	0.637	23
727	217	813	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a,6a]	3:3:2:	3:3:1:	3:3:2:	N[5a,6a]-3:N[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(N[6a]C[6a]H)(N[5a]C[5a])	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a,6a]O)(H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(N[5a]C[5a])	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(N[6a]C[6a]H)(N[5a]C[5a]){1|O<1>,1|S<4>,2|C<3>}	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a,6a]O)(H){1|N<2>,3|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(N[5a]C[5a]){1|S<4>,2|H<1>,3|C<3>}	119.9470	0.000	1	120.0000	0.072	3	120.0000	0.072	3	119.3274	0.829	12	119.3161	0.665	21	119.2769	0.637	23
727	217	813	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a,6a]	3:3:2:	3:3:1:	3:3:3:	N[5a,6a]-3:N[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(N[6a]C[6a]H)(N[5a]N[5a])	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]O)(H)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]C)	C[5a,6a](N[5a,6a]C[5a]C[6a])(N[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,1|O<1>,2|C<4>}	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|H<1>,1|N<2>,2|C<3>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]C){1|C<3>,2|H<1>}	119.7830	0.000	1	119.7830	0.000	1	119.7830	0.000	1	119.7830	0.000	1	119.3161	0.665	21	119.2769	0.637	23
727	217	813	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:2:	N[5a,6a]-3:C[5a]-3:N[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]Br)(N[6a]C[6a]H)	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]O)(H)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]Br)(N[6a]C[6a]H){1|H<1>,1|O<1>,2|C<3>}	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|Br<1>,1|H<1>,1|N<2>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|Br<1>,3|C<3>,3|H<1>}	119.7680	0.000	1	119.7680	0.000	1	118.9602	0.392	6	118.9602	0.392	6	119.3161	0.665	21	119.2769	0.637	23
727	217	813	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:2:	N[5a,6a]-3:C[5a]-3:N[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(N[6a]C[6a]H)	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]O)(H)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(N[6a]C[6a]H){1|C<4>,1|O<1>,4|C<3>}	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	118.5890	0.000	1	118.5890	0.000	1	118.9602	0.392	6	118.9602	0.392	6	119.3161	0.665	21	119.2769	0.637	23
727	217	813	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:2:	N[5a,6a]-3:C[5a]-3:N[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a]H)	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C)(H)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]O)(N[5a]C[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>}	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]O)(N[5a]C[5a]){1|C<3>,2|C<4>,2|H<1>}	118.0080	0.000	1	118.0080	0.000	1	118.9602	0.392	6	118.9602	0.392	6	119.3161	0.665	21	119.2769	0.637	23
727	217	813	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:2:	N[5a,6a]-3:C[5a]-3:N[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a]H)	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]O)(H)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>}	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,3|C<3>,3|H<1>}	118.8050	0.000	1	119.1320	0.088	3	118.9602	0.392	6	118.9602	0.392	6	119.3161	0.665	21	119.2769	0.637	23
727	217	813	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:2:	N[5a,6a]-3:C[5a]-3:N[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a]H)	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]O)(H)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a]H){1|H<1>,1|O<1>,2|C<3>}	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){3|C<3>,4|H<1>}	119.2955	0.122	2	119.1320	0.088	3	118.9602	0.392	6	118.9602	0.392	6	119.3161	0.665	21	119.2769	0.637	23
727	217	813	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:N[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]N[5a]H)(N[6a]C[6a]2)	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]N[6a])(C[5a]C[6a]N[5a])	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]N[5a]H)(N[6a]C[6a]2){1|O<1>,5|C<3>}	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2){1|N<2>,3|H<1>,5|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]N[6a])(C[5a]C[6a]N[5a]){2|H<1>,6|C<3>}	120.2600	0.000	1	120.2600	0.000	1	120.2600	0.000	1	120.2600	0.000	1	119.3161	0.665	21	119.2769	0.637	23
727	217	813	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a,6a]	3:3:3:	3:3:4:	3:3:3:	N[5a,6a]-3:C[5a]-3:N[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a,6a]H)(N[6a]C[6a]C)	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]O)(CC[6a]HH)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]N[6a])	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a,6a]H)(N[6a]C[6a]C){1|O<1>,4|C<3>}	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]O)(CC[6a]HH){1|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]N[6a]){1|C<4>,3|H<1>,5|C<3>}	119.9060	0.000	1	119.9060	0.000	1	119.9060	0.000	1	119.9060	0.000	1	119.3161	0.665	21	119.2769	0.637	23
727	217	818	6:SP2_SP2_SP2	C[5,6,6a]	N[6,6a]	C[5,6]	3:3:3:	3:3:3:	3:2:3:	N[6,6a]-3:C[5,6a]-3:C[5,6]-3:	C[5,6,6a]-3:C[6a,6a]-3:C[6,6a]-3:	C[5,6,6a]-3:N[6]-2:C[5]-3:	C[5,6,6a](N[6,6a]C[6a,6a]C[6,6a])(C[5,6a]C[6a]C[5])(C[5,6]C[5]N[6])	N[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])	C[5,6](C[5,6,6a]C[5,6a]N[6,6a])(N[6]C[6,6a])(C[5]C[5]Br)	C[5,6,6a](N[6,6a]C[6a,6a]C[6,6a])(C[5,6a]C[6a]C[5])(C[5,6]C[5]N[6]){1|Br<1>,1|O<1>,5|C<3>}	N[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a]){1|N<2>,2|H<1>,7|C<3>}	C[5,6](C[5,6,6a]C[5,6a]N[6,6a])(N[6]C[6,6a])(C[5]C[5]Br){5|C<3>}	120.5490	0.000	1	120.5490	0.000	1	120.5490	0.000	1	120.5490	0.000	1	120.5490	0.000	1	120.5490	0.000	1
727	217	891	0:SP2_SP2_SP2	C[5,6a]	N[6a]	S[5]	3:3:2:	3:3:3:	3:2:	N[6a]-3:C[5,6a]-3:S[5]-2:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:S[5]-2:	C[5,6a](N[6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(S[5]S[5])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]S[5])(C[6a]C[6a]2)	S[5](C[5,6a]C[5,6a]N[6a])(S[5]C[5])	C[5,6a](N[6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(S[5]S[5]){1|N<2>,1|O<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]S[5])(C[6a]C[6a]2){1|S<2>,3|H<1>,6|C<3>}	S[5](C[5,6a]C[5,6a]N[6a])(S[5]C[5]){1|N<2>,3|C<3>}	116.2720	0.000	1	116.2720	0.000	1	116.2720	0.000	1	116.2720	0.000	1	116.2720	0.000	1	116.2720	0.000	1
727	217	960	0:SP2_SP2_SP2	C[5,6a]	N[6a]	N[5]	3:3:2:	3:3:4:	3:2:	C[5,6a]-3:N[6a]-3:N[5]-2:	C[5,6a]-3:C[5,6a]-3:C-4:	C[5,6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(N[6a]C[5,6a]C)(N[5]S[5])	N[6a](C[5,6a]C[5,6a]N[5])2(CCHH)	N[5](C[5,6a]C[5,6a]N[6a])(S[5]S[5])	C[5,6a](C[5,6a]C[6a]S[5])(N[6a]C[5,6a]C)(N[5]S[5]){1|C<3>,1|F<1>,1|N<2>}	N[6a](C[5,6a]C[5,6a]N[5])2(CCHH){1|C<3>,4|S<2>}	N[5](C[5,6a]C[5,6a]N[6a])(S[5]S[5]){1|C<4>,2|C<3>}	120.0568	0.405	8	120.0297	0.125	12	120.0055	0.165	24	122.4666	13.523	46	122.8865	13.522	52	122.8865	13.522	52
727	217	960	0:SP2_SP2_SP2	C[5,6a]	N[6a]	N[5]	3:3:2:	3:3:4:	3:2:	C[5,6a]-3:N[6a]-3:N[5]-2:	C[5,6a]-3:C[5,6a]-3:C-4:	C[5,6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(N[6a]C[5,6a]C)(N[5]S[5])	N[6a](C[5,6a]C[5,6a]N[5])2(CCHH)	N[5](C[5,6a]C[5,6a]N[6a])(S[5]S[5])	C[5,6a](C[5,6a]C[6a]S[5])(N[6a]C[5,6a]C)(N[5]S[5]){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[5,6a]C[5,6a]N[5])2(CCHH){1|C<3>,4|S<2>}	N[5](C[5,6a]C[5,6a]N[6a])(S[5]S[5]){1|C<4>,2|C<3>}	119.8110	0.185	2	120.0297	0.125	12	120.0055	0.165	24	122.4666	13.523	46	122.8865	13.522	52	122.8865	13.522	52
727	217	960	0:SP2_SP2_SP2	C[5,6a]	N[6a]	N[5]	3:3:2:	3:3:4:	3:2:	C[5,6a]-3:N[6a]-3:N[5]-2:	C[5,6a]-3:C[5,6a]-3:C-4:	C[5,6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(N[6a]C[5,6a]C)(N[5]S[5])	N[6a](C[5,6a]C[5,6a]N[5])2(CCHH)	N[5](C[5,6a]C[5,6a]N[6a])(S[5]S[5])	C[5,6a](C[5,6a]C[6a]S[5])(N[6a]C[5,6a]C)(N[5]S[5]){1|Cl<1>,1|C<3>,1|N<2>}	N[6a](C[5,6a]C[5,6a]N[5])2(CCHH){1|C<3>,4|S<2>}	N[5](C[5,6a]C[5,6a]N[6a])(S[5]S[5]){1|C<4>,2|C<3>}	120.1405	0.260	2	120.0297	0.125	12	120.0055	0.165	24	122.4666	13.523	46	122.8865	13.522	52	122.8865	13.522	52
727	217	960	0:SP2_SP2_SP2	C[5,6a]	N[6a]	N[5]	3:3:2:	3:3:4:	3:2:	C[5,6a]-3:N[6a]-3:N[5]-2:	C[5,6a]-3:C[5,6a]-3:C-4:	C[5,6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(N[6a]C[5,6a]C)(N[5]S[5])	N[6a](C[5,6a]C[5,6a]N[5])2(CH3)	N[5](C[5,6a]C[5,6a]N[6a])(S[5]S[5])	C[5,6a](C[5,6a]C[6a]S[5])(N[6a]C[5,6a]C)(N[5]S[5]){1|C<3>,1|F<1>,1|N<2>}	N[6a](C[5,6a]C[5,6a]N[5])2(CH3){1|C<3>,4|S<2>}	N[5](C[5,6a]C[5,6a]N[6a])(S[5]S[5]){1|C<4>,2|C<3>}	120.2418	0.391	6	119.9813	0.218	12	120.0055	0.165	24	122.4666	13.523	46	122.8865	13.522	52	122.8865	13.522	52
727	217	960	0:SP2_SP2_SP2	C[5,6a]	N[6a]	N[5]	3:3:2:	3:3:4:	3:2:	C[5,6a]-3:N[6a]-3:N[5]-2:	C[5,6a]-3:C[5,6a]-3:C-4:	C[5,6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(N[6a]C[5,6a]C)(N[5]S[5])	N[6a](C[5,6a]C[5,6a]N[5])2(CH3)	N[5](C[5,6a]C[5,6a]N[6a])(S[5]S[5])	C[5,6a](C[5,6a]C[6a]S[5])(N[6a]C[5,6a]C)(N[5]S[5]){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[5,6a]C[5,6a]N[5])2(CH3){1|C<3>,4|S<2>}	N[5](C[5,6a]C[5,6a]N[6a])(S[5]S[5]){1|C<4>,2|C<3>}	119.3075	0.023	2	119.9813	0.218	12	120.0055	0.165	24	122.4666	13.523	46	122.8865	13.522	52	122.8865	13.522	52
727	217	960	0:SP2_SP2_SP2	C[5,6a]	N[6a]	N[5]	3:3:2:	3:3:4:	3:2:	C[5,6a]-3:N[6a]-3:N[5]-2:	C[5,6a]-3:C[5,6a]-3:C-4:	C[5,6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(N[6a]C[5,6a]C)(N[5]S[5])	N[6a](C[5,6a]C[5,6a]N[5])2(CH3)	N[5](C[5,6a]C[5,6a]N[6a])(S[5]S[5])	C[5,6a](C[5,6a]C[6a]S[5])(N[6a]C[5,6a]C)(N[5]S[5]){1|Cl<1>,1|C<3>,1|N<2>}	N[6a](C[5,6a]C[5,6a]N[5])2(CH3){1|C<3>,4|S<2>}	N[5](C[5,6a]C[5,6a]N[6a])(S[5]S[5]){1|C<4>,2|C<3>}	119.9275	0.320	4	119.9813	0.218	12	120.0055	0.165	24	122.4666	13.523	46	122.8865	13.522	52	122.8865	13.522	52
727	217	960	0:SP2_SP2_SP2	C[5,6a]	N[6a]	N[5]	3:3:2:	3:3:4:	3:2:	C[5,6a]-3:N[6a]-3:N[5]-2:	C[5,6a]-3:C[6,6a]-3:C-4:	C[5,6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(N[6a]C[6,6a]C)(N[5]S[5])	N[6a](C[5,6a]C[5,6a]N[5])(C[6,6a]C[6,6a]N[6])(CH3)	N[5](C[5,6a]C[5,6a]N[6a])(S[5]S[5])	C[5,6a](C[5,6a]C[6a]S[5])(N[6a]C[6,6a]C)(N[5]S[5]){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6,6a]C[6,6a]N[6])(CH3){2|C<3>,3|S<2>}	N[5](C[5,6a]C[5,6a]N[6a])(S[5]S[5]){1|C<4>,2|C<3>}	119.0072	1.179	4	119.0072	1.390	4	119.0072	1.390	4	122.4666	13.523	46	122.8865	13.522	52	122.8865	13.522	52
727	217	960	0:SP2_SP2_SP2	C[5,6a]	N[6a]	N[5]	3:3:2:	3:3:4:	3:2:	C[5,6a]-3:N[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]N[5])	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(CH3)	N[5](C[5,6a]C[5,6a]N[6a])(N[5]N[5])	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]N[5]){1|N<3>,2|O<1>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,2|N<2>}	N[5](C[5,6a]C[5,6a]N[6a])(N[5]N[5]){1|C<4>,2|C<3>}	127.5217	1.215	14	127.5325	1.372	15	127.5325	1.372	15	122.4666	13.523	46	122.8865	13.522	52	122.8865	13.522	52
727	217	960	0:SP2_SP2_SP2	C[5,6a]	N[6a]	N[5]	3:3:2:	3:3:4:	3:2:	C[5,6a]-3:N[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]N[5])	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(CH3)	N[5](C[5,6a]C[5,6a]N[6a])(N[5]N[5])	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]N[5]){1|N<3>,2|O<1>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(CH3){1|C<3>,1|H<1>,2|N<2>}	N[5](C[5,6a]C[5,6a]N[6a])(N[5]N[5]){1|C<4>,2|C<3>}	127.6840	0.000	1	127.5325	1.372	15	127.5325	1.372	15	122.4666	13.523	46	122.8865	13.522	52	122.8865	13.522	52
727	217	960	0:SP2_SP2_SP2	C[5,6a]	N[6a]	N[5]	3:3:2:	3:3:4:	3:2:	C[5,6a]-3:N[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(N[6a]C[6a]C)(N[5]S[5])	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]N)(CCHH)	N[5](C[5,6a]C[5,6a]N[6a])(S[5]S[5])	C[5,6a](C[5,6a]C[6a]S[5])(N[6a]C[6a]C)(N[5]S[5]){1|C<3>,1|F<1>,1|N<2>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]N)(CCHH){1|C<3>,1|S<1>,2|S<2>}	N[5](C[5,6a]C[5,6a]N[6a])(S[5]S[5]){1|C<4>,2|C<3>}	121.4540	0.106	2	121.4540	0.011	2	121.4383	0.006	3	122.4666	13.523	46	122.8865	13.522	52	122.8865	13.522	52
727	217	960	0:SP2_SP2_SP2	C[5,6a]	N[6a]	N[5]	3:3:2:	3:3:4:	3:2:	C[5,6a]-3:N[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(N[6a]C[6a]C)(N[5]S[5])	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]N)(CH3)	N[5](C[5,6a]C[5,6a]N[6a])(S[5]S[5])	C[5,6a](C[5,6a]C[6a]S[5])(N[6a]C[6a]C)(N[5]S[5]){1|C<3>,1|F<1>,1|N<2>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]N)(CH3){1|C<3>,1|S<1>,2|S<2>}	N[5](C[5,6a]C[5,6a]N[6a])(S[5]S[5]){1|C<4>,2|C<3>}	121.4070	0.000	1	121.4070	0.000	1	121.4383	0.006	3	122.4666	13.523	46	122.8865	13.522	52	122.8865	13.522	52
727	217	960	0:SP2_SP2_SP2	C[5,6a]	N[6a]	N[5]	3:3:2:	3:3:4:	3:3:	C[5,6a]-3:N[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a]C)(N[5]C[5])	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(CH3)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a]C)(N[5]C[5]){1|N<3>,2|C<3>,2|O<1>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(CH3){1|C<4>,3|C<3>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]C){1|C<4>,3|C<3>}	123.2420	0.000	1	123.2420	0.000	1	125.6273	4.337	3	126.1052	2.164	6	122.8865	13.522	52	122.8865	13.522	52
727	217	960	0:SP2_SP2_SP2	C[5,6a]	N[6a]	N[5]	3:3:2:	3:3:4:	3:3:	C[5,6a]-3:N[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]C[5])	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(CH3)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]C[5]){1|H<1>,1|N<3>,2|O<1>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(CH3){1|C<4>,1|N<2>,2|C<3>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H){1|C<4>,2|C<3>}	126.8200	0.373	2	126.8200	0.139	2	125.6273	4.337	3	126.1052	2.164	6	122.8865	13.522	52	122.8865	13.522	52
727	217	960	0:SP2_SP2_SP2	C[5,6a]	N[6a]	N[5]	3:3:2:	3:3:4:	3:3:	C[5,6a]-3:N[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]N[5])	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(CH3)	N[5](C[5,6a]C[5,6a]N[6a])(N[5]N[5]Ni)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]N[5]){2|Ni<6>,1|N<3>,2|O<1>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,2|N<3>}	N[5](C[5,6a]C[5,6a]N[6a])(N[5]N[5]Ni){1|Ni<6>,1|C<4>,2|C<3>}	126.5830	0.623	3	126.5830	0.388	3	126.5830	0.388	3	126.1052	2.164	6	122.8865	13.522	52	122.8865	13.522	52
727	217	976	0:SP2_SP2_SP2	C[5,6a]	N[6a]	O[5]	3:3:2:	3:3:4:	3:4:	C[5,6a]-3:N[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5,6]-4:	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a]C)(O[5]C[5,6])	N[6a](C[5,6a]C[5,6a]O[5])(C[6a]N[6a]O)(CH3)	O[5](C[5,6a]C[5,6a]N[6a])(C[5,6]C[5]C[6]2)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a]C)(O[5]C[5,6]){1|N<3>,2|C<3>,2|C<4>,2|O<1>}	N[6a](C[5,6a]C[5,6a]O[5])(C[6a]N[6a]O)(CH3){1|C<3>,3|C<4>}	O[5](C[5,6a]C[5,6a]N[6a])(C[5,6]C[5]C[6]2){2|C<3>,2|N<3>,2|O<1>,3|C<4>}	117.2920	0.000	1	117.2920	0.000	1	117.2920	0.000	1	118.6445	3.659	2	118.6445	3.659	2	118.6445	3.659	2
727	217	976	0:SP2_SP2_SP2	C[5,6a]	N[6a]	O[5]	3:3:2:	3:3:4:	3:4:	C[5,6a]-3:N[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a]C)(O[5]C[5])	N[6a](C[5,6a]C[5,6a]O[5])(C[6a]N[6a]O)(CH3)	O[5](C[5,6a]C[5,6a]N[6a])(C[5]C[6a]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a]C)(O[5]C[5]){1|C<2>,1|H<1>,1|N<3>,2|C<3>,2|O<1>}	N[6a](C[5,6a]C[5,6a]O[5])(C[6a]N[6a]O)(CH3){1|C<3>,3|C<4>}	O[5](C[5,6a]C[5,6a]N[6a])(C[5]C[6a]C[5]H){1|C<2>,1|C<4>,5|C<3>}	119.9970	0.000	1	119.9970	0.000	1	119.9970	0.000	1	118.6445	3.659	2	118.6445	3.659	2	118.6445	3.659	2
727	222	643	0:SP2_SP2_SPD5	C[5,6a]	As[5,5]	C[6a]	5:3:3:	3:3:2:2:1:	3:3:1:	As[5,5]-5:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:O[5]-2:O[5]-2:I-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](As[5,5]C[5,6a]O[5]2I)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	As[5,5](C[5,6a]C[5,6a]C[6a])2(O[5]C[5])2(I)	C[6a](C[5,6a]As[5,5]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](As[5,5]C[5,6a]O[5]2I)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	As[5,5](C[5,6a]C[5,6a]C[6a])2(O[5]C[5])2(I){2|H<1>,4|C<3>,4|C<4>}	C[6a](C[5,6a]As[5,5]C[5,6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|I<1>,2|C<3>,2|O<2>}	124.7490	0.000	1	124.7490	0.000	1	124.7490	0.000	1	124.7490	0.000	1	125.2010	0.857	21	125.1448	0.885	22
727	222	643	0:SP2_SP2_SPD5	C[5,6a]	As[5,5]	C[6a]	5:3:3:	3:3:2:2:2:	3:3:1:	As[5,5]-5:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:O[5]-2:O[5]-2:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](As[5,5]C[5,6a]O[5]2O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	As[5,5](C[5,6a]C[5,6a]C[6a])2(O[5]C[5])2(OH)	C[6a](C[5,6a]As[5,5]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](As[5,5]C[5,6a]O[5]2O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	As[5,5](C[5,6a]C[5,6a]C[6a])2(O[5]C[5])2(OH){2|H<1>,4|C<3>,4|C<4>}	C[6a](C[5,6a]As[5,5]C[5,6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,3|O<2>}	125.7091	0.514	8	125.7091	0.264	8	125.7091	0.264	8	125.7091	0.264	8	125.2010	0.857	21	125.1448	0.885	22
727	222	643	0:SP2_SP2_SPD5	C[5,6a]	As[5,5]	C[6a]	5:3:3:	3:3:2:2:4:	3:3:1:	As[5,5]-5:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:O[5]-2:O[5]-2:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](As[5,5]C[5,6a]O[5]2C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	As[5,5](C[5,6a]C[5,6a]C[6a])2(O[5]C[5])2(CC3)	C[6a](C[5,6a]As[5,5]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](As[5,5]C[5,6a]O[5]2C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	As[5,5](C[5,6a]C[5,6a]C[6a])2(O[5]C[5])2(CC3){2|H<1>,4|C<3>,4|C<4>}	C[6a](C[5,6a]As[5,5]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	124.6495	1.795	4	124.6495	3.222	4	124.8999	1.084	12	124.8999	1.084	12	125.2010	0.857	21	125.1448	0.885	22
727	222	643	0:SP2_SP2_SPD5	C[5,6a]	As[5,5]	C[6a]	5:3:3:	3:3:2:2:4:	3:3:1:	As[5,5]-5:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:O[5]-2:O[5]-2:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](As[5,5]C[5,6a]O[5]2C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	As[5,5](C[5,6a]C[5,6a]C[6a])2(O[5]C[5])2(CCHH)	C[6a](C[5,6a]As[5,5]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](As[5,5]C[5,6a]O[5]2C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	As[5,5](C[5,6a]C[5,6a]C[6a])2(O[5]C[5])2(CCHH){2|H<1>,4|C<3>,4|C<4>}	C[6a](C[5,6a]As[5,5]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	125.0251	0.519	8	125.0251	0.269	8	124.8999	1.084	12	124.8999	1.084	12	125.2010	0.857	21	125.1448	0.885	22
727	222	643	0:SP2_SP2_SPD5	C[5,6a]	As[5]	C[6a]	3:5:3:	3:3:3:3:2:	3:3:1:	C[5,6a]-3:As[5]-5:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(As[5]C[6a]3O[5])(C[6a]C[6a]H)	As[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)3(O[5]C[5])	C[6a](C[5,6a]C[5,6a]As[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(As[5]C[6a]3O[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,8|C<3>}	As[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)3(O[5]C[5]){1|C<4>,7|H<1>,9|C<3>}	C[6a](C[5,6a]C[5,6a]As[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	123.9640	0.000	1	123.9640	0.000	1	123.9640	0.000	1	123.9640	0.000	1	123.9640	0.000	1	125.1448	0.885	22
727	222	727	5:SP2_SP2_SPD5	C[5,6a]	As[5,5]	C[5,6a]	5:3:3:	3:3:2:2:1:	3:3:4:	As[5,5]-5:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:O[5]-2:O[5]-2:I-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](As[5,5]C[5,6a]O[5]2I)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	As[5,5](C[5,6a]C[5,6a]C[6a])2(O[5]C[5])2(I)	C[5,6a](C[5,6a]As[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CC)	C[5,6a](As[5,5]C[5,6a]O[5]2I)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	As[5,5](C[5,6a]C[5,6a]C[6a])2(O[5]C[5])2(I){2|H<1>,4|C<3>,4|C<4>}	C[5,6a](C[5,6a]As[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CC){1|I<1>,1|O<2>,2|C<3>,2|H<1>}	113.1250	0.000	1	113.1250	0.000	1	113.1250	0.000	1	113.1250	0.000	1	113.1818	0.614	21	113.3141	0.970	22
727	222	727	5:SP2_SP2_SPD5	C[5,6a]	As[5,5]	C[5,6a]	5:3:3:	3:3:2:2:2:	3:3:4:	As[5,5]-5:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:O[5]-2:O[5]-2:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](As[5,5]C[5,6a]O[5]2O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	As[5,5](C[5,6a]C[5,6a]C[6a])2(O[5]C[5])2(OH)	C[5,6a](C[5,6a]As[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CC)	C[5,6a](As[5,5]C[5,6a]O[5]2O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	As[5,5](C[5,6a]C[5,6a]C[6a])2(O[5]C[5])2(OH){2|H<1>,4|C<3>,4|C<4>}	C[5,6a](C[5,6a]As[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CC){2|C<3>,2|H<1>,2|O<2>}	112.5815	0.736	8	112.5815	0.542	8	112.5815	0.542	8	112.5815	0.542	8	113.1818	0.614	21	113.3141	0.970	22
727	222	727	5:SP2_SP2_SPD5	C[5,6a]	As[5,5]	C[5,6a]	5:3:3:	3:3:2:2:4:	3:3:4:	As[5,5]-5:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:O[5]-2:O[5]-2:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](As[5,5]C[5,6a]O[5]2C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	As[5,5](C[5,6a]C[5,6a]C[6a])2(O[5]C[5])2(CC3)	C[5,6a](C[5,6a]As[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CC)	C[5,6a](As[5,5]C[5,6a]O[5]2C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	As[5,5](C[5,6a]C[5,6a]C[6a])2(O[5]C[5])2(CC3){2|H<1>,4|C<3>,4|C<4>}	C[5,6a](C[5,6a]As[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CC){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	113.7635	0.962	4	113.7635	0.925	4	113.5867	0.329	12	113.5867	0.329	12	113.1818	0.614	21	113.3141	0.970	22
727	222	727	5:SP2_SP2_SPD5	C[5,6a]	As[5,5]	C[5,6a]	5:3:3:	3:3:2:2:4:	3:3:4:	As[5,5]-5:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:O[5]-2:O[5]-2:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](As[5,5]C[5,6a]O[5]2C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	As[5,5](C[5,6a]C[5,6a]C[6a])2(O[5]C[5])2(CCHH)	C[5,6a](C[5,6a]As[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CC)	C[5,6a](As[5,5]C[5,6a]O[5]2C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	As[5,5](C[5,6a]C[5,6a]C[6a])2(O[5]C[5])2(CCHH){2|H<1>,4|C<3>,4|C<4>}	C[5,6a](C[5,6a]As[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CC){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	113.4982	0.307	8	113.4982	0.094	8	113.5867	0.329	12	113.5867	0.329	12	113.1818	0.614	21	113.3141	0.970	22
727	222	727	5:SP2_SP2_SPD5	C[5,6a]	As[5]	C[5,6a]	3:5:3:	3:3:3:3:2:	3:4:3:	C[5,6a]-3:As[5]-5:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(As[5]C[6a]3O[5])(C[6a]C[6a]H)	As[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)3(O[5]C[5])	C[5,6a](C[5,6a]As[5]C[6a])(C[5]C[6a]O[5]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(As[5]C[6a]3O[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,8|C<3>}	As[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)3(O[5]C[5]){1|C<4>,7|H<1>,9|C<3>}	C[5,6a](C[5,6a]As[5]C[6a])(C[5]C[6a]O[5]C)(C[6a]C[6a]H){2|H<1>,6|C<3>}	116.0930	0.000	1	116.0930	0.000	1	116.0930	0.000	1	116.0930	0.000	1	116.0930	0.000	1	113.3141	0.970	22
727	230	519	0:SP2_SP2_SPD6	C[5a]	S	N[5a]	3:2:6:	3:3:1:1:1:1:	3:2:	C[5a]-3:N[5a]-2:S-6:	C[5a]-3:C[6a]-3:F-1:F-1:F-1:F-1:	C[5a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(SC[6a]F4)	S(C[5a]C[5a]N[5a])(C[6a]C[6a]N[6a])(F)4	N[5a](C[5a]C[5a]S)(N[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(SC[6a]F4){1|C<4>,2|C<3>}	S(C[5a]C[5a]N[5a])(C[6a]C[6a]N[6a])(F)4	N[5a](C[5a]C[5a]S)(N[5a]N[5a]){1|C<3>,1|C<4>}	119.8130	0.000	1	119.8130	0.000	1	119.8130	0.000	1	119.8130	0.000	1	119.8130	0.000	1	119.8130	0.000	1
727	230	727	0:SP2_SP2_SPD6	C[5a]	S	C[5a]	3:2:6:	3:3:1:1:1:1:	3:3:3:	C[5a]-3:N[5a]-2:S-6:	C[5a]-3:C[6a]-3:F-1:F-1:F-1:F-1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(SC[6a]F4)	S(C[5a]C[5a]N[5a])(C[6a]C[6a]N[6a])(F)4	C[5a](C[5a]N[5a]S)(C[6a]C[6a]2)(N[5a]N[5a]C)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(SC[6a]F4){1|C<4>,2|C<3>}	S(C[5a]C[5a]N[5a])(C[6a]C[6a]N[6a])(F)4	C[5a](C[5a]N[5a]S)(C[6a]C[6a]2)(N[5a]N[5a]C){2|C<3>,2|H<1>}	129.5290	0.000	1	129.5290	0.000	1	129.5290	0.000	1	129.5290	0.000	1	127.8460	1.121	8	127.8460	1.121	8
727	230	727	0:SP2_SP2_SPD6	C[5a]	S	C[5a]	3:3:6:	3:1:1:1:1:1:	3:2:1:	C[5a]-3:C[5a]-3:S-6:	C[5a]-3:F-1:F-1:F-1:F-1:F-1:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]N[5a]H)2(SF5)	S(C[5a]C[5a]2)(F)5	C[5a](C[5a]C[5a]S)(N[5a]N[5a])(H)	C[5a](C[5a]N[5a]H)2(SF5){1|H<1>}	S(C[5a]C[5a]2)(F)5	C[5a](C[5a]C[5a]S)(N[5a]N[5a])(H){2|H<1>}	127.6443	0.360	3	127.6443	0.129	3	127.6443	0.129	3	127.6443	0.129	3	127.8460	1.121	8	127.8460	1.121	8
727	230	727	0:SP2_SP2_SPD6	C[5a]	S	C[5a]	3:3:6:	3:1:1:1:1:1:	3:3:1:	C[5a]-3:C[5a]-3:S-6:	C[5a]-3:F-1:F-1:F-1:F-1:F-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]N[5a]H)2(SF5)	S(C[5a]C[5a]2)(F)5	C[5a](C[5a]C[5a]S)(N[5a]N[5a]H)(H)	C[5a](C[5a]N[5a]H)2(SF5){1|H<1>}	S(C[5a]C[5a]2)(F)5	C[5a](C[5a]C[5a]S)(N[5a]N[5a]H)(H){1|H<1>}	126.9800	0.196	3	126.9800	0.038	3	126.9800	0.038	3	126.9800	0.038	3	127.8460	1.121	8	127.8460	1.121	8
727	230	727	0:SP2_SP2_SPD6	C[5a]	S	C[5a]	3:3:6:	3:3:1:1:1:1:	3:3:2:	C[5a]-3:N[5a]-3:S-6:	C[5a]-3:C[6a]-3:F-1:F-1:F-1:F-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(SC[6a]F4)	S(C[5a]C[5a]N[5a])(C[6a]C[6a]N[6a])(F)4	C[5a](C[5a]N[5a]S)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(SC[6a]F4){2|C<3>}	S(C[5a]C[5a]N[5a])(C[6a]C[6a]N[6a])(F)4	C[5a](C[5a]N[5a]S)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	129.3660	0.000	1	129.3660	0.000	1	129.3660	0.000	1	129.3660	0.000	1	127.8460	1.121	8	127.8460	1.121	8
727	230	813	0:SP2_SP2_SPD6	C[5a]	S	N[5a]	3:3:6:	3:3:1:1:1:1:	3:2:4:	C[5a]-3:N[5a]-3:S-6:	C[5a]-3:C[6a]-3:F-1:F-1:F-1:F-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(SC[6a]F4)	S(C[5a]C[5a]N[5a])(C[6a]C[6a]N[6a])(F)4	N[5a](C[5a]C[5a]S)(N[5a]N[5a])(CC[6a]HH)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(SC[6a]F4){2|C<3>}	S(C[5a]C[5a]N[5a])(C[6a]C[6a]N[6a])(F)4	N[5a](C[5a]C[5a]S)(N[5a]N[5a])(CC[6a]HH){1|C<3>}	124.6790	0.000	1	124.6790	0.000	1	124.6790	0.000	1	124.6790	0.000	1	124.6790	0.000	1	124.6790	0.000	1
727	246	643	0:SP2_SP2_SP3	C[5,6,6a]	P[3x5,6,6]	C[6a]	3:3:3:	3:3:3:	3:3:1:	P[3x5,6,6]-3:C[5,6,6a]-3:C[6a]-3:	P[3x5,4x6]-3:P[4x5,6,6]-3:C[5,6,6a]-3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,6,6a](P[3x5,6,6]P[3x5,4x6]P[4x5,6,6])(C[5,6,6a]P[3x5,6,6]C[6a])(C[6a]C[6a]H)	P[3x5,6,6](P[3x5,4x6]P[3x5,4x6]P[3x5,6,6])(P[4x5,6,6]P[3x5,6,6]P[4x5,6,6])(C[5,6,6a]C[5,6,6a]C[6a])	C[6a](C[5,6,6a]P[3x5,6,6]C[5,6,6a])(C[6a]C[6a]H)(H)	C[5,6,6a](P[3x5,6,6]P[3x5,4x6]P[4x5,6,6])(C[5,6,6a]P[3x5,6,6]C[6a])(C[6a]C[6a]H){1|C<3>,2|H<1>,3|P<3>}	P[3x5,6,6](P[3x5,4x6]P[3x5,4x6]P[3x5,6,6])(P[4x5,6,6]P[3x5,6,6]P[4x5,6,6])(C[5,6,6a]C[5,6,6a]C[6a]){1|H<1>,1|P<3>,3|C<3>}	C[6a](C[5,6,6a]P[3x5,6,6]C[5,6,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|P<3>}	120.8456	0.379	8	120.8456	0.143	8	120.8456	0.143	8	120.8456	0.143	8	120.8456	0.143	8	125.9968	11.787	60
727	246	643	0:SP2_SP2_SP3	C[5,6a]	P[5,5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:P[5,5]-3:C[6a]-3:	C[5,6a]-3:P[5,5]-3:P[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]P[5])(P[5,5]P[5,5]P[5])(C[6a]C[6a]H)	P[5,5](C[5,6a]C[5,6a]C[6a])(P[5,5]C[5,6a]P[5])(P[5]C[5,6a]Li)	C[6a](C[5,6a]C[5,6a]P[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(P[5,5]P[5,5]P[5])(C[6a]C[6a]H){2|Li<4>,2|H<1>,3|C<3>}	P[5,5](C[5,6a]C[5,6a]C[6a])(P[5,5]C[5,6a]P[5])(P[5]C[5,6a]Li){1|Li<4>,1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]P[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|P<3>}	120.3090	0.014	2	120.3090	0.000	2	120.3090	0.000	2	120.3090	0.000	2	120.3090	0.000	2	125.9968	11.787	60
727	246	643	0:SP2_SP2_SP3	C[5,6a]	P[5,6]	C[6a]	3:3:3:	3:3:3:	3:3:1:	P[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[5,6]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](P[5,6]C[6,6a]C[5,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	P[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])	C[6a](C[5,6a]C[5,6a]P[5,6])(C[6a]C[6a]H)(H)	C[5,6a](P[5,6]C[6,6a]C[5,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	P[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]){4|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]P[5,6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	129.8820	0.000	1	129.8820	0.000	1	129.8820	0.000	1	129.8820	0.000	1	129.8820	0.000	1	125.9968	11.787	60
727	246	643	0:SP2_SP2_SP3	C[5,6a]	P[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:P[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(P[5]C[5]H)	P[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(H)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(P[5]C[5]H){2|H<1>,3|C<3>}	P[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(H){1|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	129.2750	0.000	1	129.2750	0.000	1	129.2750	0.000	1	127.8192	0.951	4	126.9907	7.373	49	125.9968	11.787	60
727	246	643	0:SP2_SP2_SP3	C[5,6a]	P[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:P[5]-3:	C[5,6a]-3:N[5]-3:Cl-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(P[5]N[5]Cl)	P[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(Cl)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(P[5]N[5]Cl){2|C<3>,4|H<1>}	P[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(Cl){3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	127.4700	0.000	1	127.4700	0.000	1	127.4700	0.000	1	127.8192	0.951	4	126.9907	7.373	49	125.9968	11.787	60
727	246	643	0:SP2_SP2_SP3	C[5,6a]	P[5]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:P[5]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:I-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]I)(C[6a]C[6a]H)	P[5](C[5,6a]C[5,6a]C[6a])2(I)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]I)(C[6a]C[6a]H){2|H<1>,3|C<3>}	P[5](C[5,6a]C[5,6a]C[6a])2(I){2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|H<1>,1|I<1>,3|C<3>}	127.2660	0.011	2	127.2660	0.000	2	127.2660	0.000	2	127.8192	0.951	4	126.9907	7.373	49	125.9968	11.787	60
727	246	643	0:SP2_SP2_SP3	C[5,6a]	P[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	C[5,6a]-3:C[6a]-3:P[5]-3:	C[5,6a]-3:N[5]-3:C-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(P[5]N[5]C)	P[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CC)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(P[5]N[5]C){2|C<3>,4|H<1>}	P[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CC){3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	127.8880	0.000	1	127.8880	0.000	1	127.8880	0.000	1	127.8880	0.000	1	126.9907	7.373	49	125.9968	11.787	60
727	246	643	0:SP2_SP2_SP3	C[5,6a]	P[5]	C[6a]	3:3:3:	3:3:2:	3:3:3:	C[5,6a]-3:C[6a]-3:P[5]-3:	C[5,6a]-3:N[5]-3:O-2:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(P[5]N[5]O)	P[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(OC)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(CHN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(P[5]N[5]O){2|C<3>,4|H<1>}	P[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(OC){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(CHN){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	128.1750	0.000	1	128.1750	0.000	1	128.1750	0.000	1	128.1750	0.000	1	126.9907	7.373	49	125.9968	11.787	60
727	246	643	0:SP2_SP2_SP3	C[5,6a]	P[5]	C[6a]	3:3:3:	3:3:3:	3:2:1:	C[5,6a]-3:P[5]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:N[6a]-2:H-1:	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a])(C[6a]N[6a]H)	P[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]P[5])(N[6a]C[6a])(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a])(C[6a]N[6a]H){1|H<1>,5|C<3>}	P[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2){2|N<2>,4|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]P[5])(N[6a]C[6a])(H){1|H<1>,4|C<3>}	129.5240	0.806	2	129.5240	0.650	2	129.5240	0.650	2	129.5240	0.650	2	126.9907	7.373	49	125.9968	11.787	60
727	246	643	0:SP2_SP2_SP3	C[5,6a]	P[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:P[5]-3:C[6a]-3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(P[5]C[5,5]C[6a])(C[6a]C[6a]H)	P[5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(P[5]C[5,5]C[6a])(C[6a]C[6a]H){1|S<4>,2|H<1>,4|C<3>}	P[5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){1|S<4>,3|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	128.4460	0.000	1	128.4460	0.000	1	128.4460	0.000	1	127.8149	3.579	8	126.9907	7.373	49	125.9968	11.787	60
727	246	643	0:SP2_SP2_SP3	C[5,6a]	P[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:P[5]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a])(C[6a]C[6a]Cl)	P[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(Cl)	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a])(C[6a]C[6a]Cl){2|H<1>,5|C<3>}	P[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2){2|Cl<1>,1|H<1>,7|C<3>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(Cl){1|H<1>,4|C<3>}	127.0040	0.000	1	127.0040	0.000	1	127.0040	0.000	1	127.8149	3.579	8	126.9907	7.373	49	125.9968	11.787	60
727	246	643	0:SP2_SP2_SP3	C[5,6a]	P[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:P[5]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a])(C[6a]C[6a]H)	P[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	P[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2){2|Cl<1>,1|H<1>,7|C<3>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	124.9260	0.000	1	126.4360	1.710	3	126.4360	1.710	3	127.8149	3.579	8	126.9907	7.373	49	125.9968	11.787	60
727	246	643	0:SP2_SP2_SP3	C[5,6a]	P[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:P[5]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a])(C[6a]C[6a]H)	P[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	P[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	127.1910	0.017	2	126.4360	1.710	3	126.4360	1.710	3	127.8149	3.579	8	126.9907	7.373	49	125.9968	11.787	60
727	246	643	0:SP2_SP2_SP3	C[5,6a]	P[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:P[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5])(C[6a]C[6a]H)	P[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5])(C[6a]C[6a]H){1|Br<1>,2|H<1>,4|C<3>}	P[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|Br<1>,3|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	128.4210	0.000	1	130.0215	5.123	2	130.0215	5.123	2	127.8149	3.579	8	126.9907	7.373	49	125.9968	11.787	60
727	246	643	0:SP2_SP2_SP3	C[5,6a]	P[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:P[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5])(C[6a]C[6a]H)	P[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,5|C<3>}	P[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|H<1>,2|C<4>,7|C<3>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	131.6220	0.000	1	130.0215	5.123	2	130.0215	5.123	2	127.8149	3.579	8	126.9907	7.373	49	125.9968	11.787	60
727	246	643	0:SP2_SP2_SP3	C[5,6a]	P[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:P[5]-3:C[6a]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]N[5])(C[6a]C[6a]H)	P[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]N[5])(C[6a]C[6a]H){4|C<3>,4|H<1>}	P[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]2){5|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	127.7180	0.000	1	127.7180	0.000	1	127.7180	0.000	1	127.8149	3.579	8	126.9907	7.373	49	125.9968	11.787	60
727	246	643	0:SP2_SP2_SP3	C[5,6a]	P[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a,6a]-3:C[6a]-3:P[5]-3:	C[5,6a]-3:As[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]As[5]C)	P[5](C[5,6a]C[5,6a,6a]C[6a])(As[5]C[5,6a]C[6a])(CCCH)	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[5,6a]H)(H)	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]As[5]C){1|H<1>,4|C<3>}	P[5](C[5,6a]C[5,6a,6a]C[6a])(As[5]C[5,6a]C[6a])(CCCH){1|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[5,6a]H)(H){1|As<3>,2|C<3>,2|C<4>}	125.6825	0.144	2	125.6825	0.021	2	125.6825	0.021	2	126.7405	3.364	17	126.9907	7.373	49	125.9968	11.787	60
727	246	643	0:SP2_SP2_SP3	C[5,6a]	P[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a,6a]-3:C[6a]-3:P[5]-3:	C[5,6a]-3:P[5]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]P[5]C)	P[5](C[5,6a]C[5,6a,6a]C[6a])(P[5]C[5,6a]C[5])(CCCH)	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[5,6a]H)(H)	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]P[5]C){1|C<4>,1|H<1>,3|C<3>}	P[5](C[5,6a]C[5,6a,6a]C[6a])(P[5]C[5,6a]C[5])(CCCH){1|Fe<10>,1|H<1>,2|C<4>,3|C<3>}	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[5,6a]H)(H){1|P<3>,2|C<3>,2|C<4>}	127.3350	0.000	1	127.3350	0.000	1	127.3350	0.000	1	126.7405	3.364	17	126.9907	7.373	49	125.9968	11.787	60
727	246	643	0:SP2_SP2_SP3	C[5,6a]	P[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a,6a]-3:C[6a]-3:P[5]-3:	C[5,6a]-3:P[5]-3:P[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]P[5]2)	P[5](C[5,6a]C[5,6a,6a]C[6a])(P[5]C[5,6a]P[5])(P[5]C[5,6a]NN)	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]P[5]2){1|H<1>,1|P<4>,2|N<3>,4|C<3>}	P[5](C[5,6a]C[5,6a,6a]C[6a])(P[5]C[5,6a]P[5])(P[5]C[5,6a]NN){1|H<1>,2|N<3>,6|C<3>}	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[6a]H)(H){1|H<1>,1|P<3>,1|P<4>,2|C<3>}	122.9510	0.000	1	122.9510	0.000	1	123.2887	0.091	3	126.7405	3.364	17	126.9907	7.373	49	125.9968	11.787	60
727	246	643	0:SP2_SP2_SP3	C[5,6a]	P[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a,6a]-3:C[6a]-3:P[5]-3:	C[5,6a]-3:P[5]-3:P[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]P[5]2)	P[5](C[5,6a]C[5,6a,6a]C[6a])(P[5]C[5,6a]P[5])(P[5]C[5,6a]NO)	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]P[5]2){1|H<1>,1|N<3>,1|O<1>,1|P<4>,4|C<3>}	P[5](C[5,6a]C[5,6a,6a]C[6a])(P[5]C[5,6a]P[5])(P[5]C[5,6a]NO){1|H<1>,1|N<3>,1|O<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[6a]H)(H){1|H<1>,1|P<3>,1|P<4>,2|C<3>}	123.5340	0.000	1	123.5340	0.000	1	123.2887	0.091	3	126.7405	3.364	17	126.9907	7.373	49	125.9968	11.787	60
727	246	643	0:SP2_SP2_SP3	C[5,6a]	P[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a,6a]-3:C[6a]-3:P[5]-3:	C[5,6a]-3:P[5]-3:P[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]P[5]2)	P[5](C[5,6a]C[5,6a,6a]C[6a])(P[5]C[5,6a]P[5])(P[5]C[5,6a]SeO)	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]P[5]2){1|Se<1>,1|H<1>,1|O<2>,1|P<4>,4|C<3>}	P[5](C[5,6a]C[5,6a,6a]C[6a])(P[5]C[5,6a]P[5])(P[5]C[5,6a]SeO){1|Se<1>,1|H<1>,1|O<2>,6|C<3>}	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[6a]H)(H){1|H<1>,1|P<3>,1|P<4>,2|C<3>}	123.3810	0.000	1	123.3810	0.000	1	123.2887	0.091	3	126.7405	3.364	17	126.9907	7.373	49	125.9968	11.787	60
727	246	643	0:SP2_SP2_SP3	C[5,6a]	P[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a,6a]-3:P[5]-3:C[6a]-3:	C[5,6a]-3:P[5]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(P[5]C[5]P[5])(C[6a]C[6a]H)	P[5](C[5,6a]C[5,6a,6a]C[6a])(P[5]C[5,6a]C)(C[5]C[5]2Fe)	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[5,6a]H)(H)	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(P[5]C[5]P[5])(C[6a]C[6a]H){1|Fe<10>,1|H<1>,3|C<3>,3|C<4>}	P[5](C[5,6a]C[5,6a,6a]C[6a])(P[5]C[5,6a]C)(C[5]C[5]2Fe){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[5,6a]H)(H){1|P<3>,2|C<3>,2|C<4>}	126.9020	0.000	1	126.9020	0.000	1	126.9020	0.000	1	126.7405	3.364	17	126.9907	7.373	49	125.9968	11.787	60
727	246	643	0:SP2_SP2_SP3	C[5,6a]	P[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:P[5]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C)(C[6a]C[6a]H)	P[5](C[5,6a]C[5,6a]C[6a])2(CHHP)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	P[5](C[5,6a]C[5,6a]C[6a])2(CHHP){2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	127.7812	0.345	8	127.7812	0.119	8	127.7812	0.119	8	126.7405	3.364	17	126.9907	7.373	49	125.9968	11.787	60
727	246	643	0:SP2_SP2_SP3	C[5,6a]	P[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:P[5]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[5])(C[6a]C[6a]H)	P[5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]2Fe)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[5])(C[6a]C[6a]H){1|Fe<10>,2|C<4>,2|H<1>,3|C<3>}	P[5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]2Fe){3|C<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	128.4350	0.137	2	128.4350	0.019	2	128.4350	0.019	2	126.7405	3.364	17	126.9907	7.373	49	125.9968	11.787	60
727	246	643	0:SP2_SP2_SP3	C[5,6a]	P[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:P[5]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C)(C[6a]C[6a]2)	P[5](C[5,6a]C[5,6a]C[6a])2(CH3)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C)(C[6a]C[6a]2){2|H<1>,5|C<3>}	P[5](C[5,6a]C[5,6a]C[6a])2(CH3){1|C<4>,5|C<3>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	128.4860	0.242	2	128.4860	0.058	2	128.4860	0.058	2	128.4860	0.058	2	126.9907	7.373	49	125.9968	11.787	60
727	246	643	0:SP2_SP2_SP3	C[5,6a]	P[5]	C[6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:P[5]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C)(C[6a]C[6a]C)	P[5](C[5,6a]C[5,6a]C[6a])2(CH3)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(CH3)	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C)(C[6a]C[6a]C){2|H<1>,3|C<3>}	P[5](C[5,6a]C[5,6a]C[6a])2(CH3){1|C<4>,5|C<3>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	126.7350	0.218	2	126.7350	0.047	2	126.7350	0.047	2	126.7350	0.047	2	126.9907	7.373	49	125.9968	11.787	60
727	246	643	0:SP2_SP2_SP3	C[5,6a]	P[5]	C[6a]	3:3:3:	3:4:1:	3:3:1:	C[5,6a,6a]-3:C[6a]-3:P[5]-3:	C[5,6a]-3:P[5]-4:Cl-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]P[5]Cl)	P[5](C[5,6a]C[5,6a,6a]C[6a])(P[5]C[5,6a]C[6a]2)(Cl)	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[5,6a]H)(H)	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]P[5]Cl){1|H<1>,5|C<3>}	P[5](C[5,6a]C[5,6a,6a]C[6a])(P[5]C[5,6a]C[6a]2)(Cl){1|H<1>,7|C<3>}	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[5,6a]H)(H){1|Cl<1>,1|C<4>,1|P<4>,2|C<3>}	124.3020	0.000	1	124.3020	0.000	1	124.3020	0.000	1	123.7520	0.605	2	126.9907	7.373	49	125.9968	11.787	60
727	246	643	0:SP2_SP2_SP3	C[5,6a]	P[5]	C[6a]	3:3:3:	3:4:1:	3:3:1:	C[5,6a,6a]-3:C[6a]-3:P[5]-3:	C[5,6a]-3:P[5]-4:I-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]P[5]I)	P[5](C[5,6a]C[5,6a,6a]C[6a])(P[5]C[5,6a]NN)(I)	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]P[5]I){1|H<1>,2|N<3>,3|C<3>}	P[5](C[5,6a]C[5,6a,6a]C[6a])(P[5]C[5,6a]NN)(I){1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[6a]H)(H){1|H<1>,1|I<1>,1|P<4>,2|C<3>}	123.2020	0.000	1	123.2020	0.000	1	123.2020	0.000	1	123.7520	0.605	2	126.9907	7.373	49	125.9968	11.787	60
727	246	643	0:SP2_SP2_SP3	C[5,6a]	P[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a,6a]-3:C[6a]-3:P[5]-3:	C[5,6a]-3:P[5]-4:N-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]P[5]N)	P[5](C[5,6a]C[5,6a,6a]C[6a])(P[5]C[5,6a]NN)(NCC)	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]P[5]N){1|H<1>,2|N<3>,3|C<3>}	P[5](C[5,6a]C[5,6a,6a]C[6a])(P[5]C[5,6a]NN)(NCC){1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|P<4>,2|C<3>}	121.1640	0.000	1	121.1640	0.000	1	121.1640	0.000	1	127.0502	10.516	6	126.9907	7.373	49	125.9968	11.787	60
727	246	643	0:SP2_SP2_SP3	C[5,6a]	P[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a,6a]-3:P[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(P[5]C[6a]C[5])(C[6a]C[6a]H)	P[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(P[5]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	P[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]2){1|P<3>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	128.9307	0.608	4	128.9307	0.370	4	128.9307	0.370	4	127.0502	10.516	6	126.9907	7.373	49	125.9968	11.787	60
727	246	643	0:SP2_SP2_SP3	C[5,6a]	P[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a,6a]-3:P[5]-3:C[6a]-3:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(P[5]C[6a]P[5])(C[6a]C[6a]H)	P[5](C[5,6a]C[5,6a,6a]C[6a])(P[5]C[5,6a]CC)(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[5,6a]H)(H)	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(P[5]C[6a]P[5])(C[6a]C[6a]H){1|H<1>,2|C<4>,5|C<3>}	P[5](C[5,6a]C[5,6a,6a]C[6a])(P[5]C[5,6a]CC)(C[6a]C[6a]2){3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[5,6a]H)(H){1|C<4>,1|P<4>,3|C<3>}	125.4140	0.000	1	125.4140	0.000	1	125.4140	0.000	1	127.0502	10.516	6	126.9907	7.373	49	125.9968	11.787	60
727	246	643	0:SP2_SP2_SP3	C[5,6a]	P[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:P[5]-3:	C[5,6a]-3:C[5]-4:B-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(P[5]C[5]B)	P[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5]Yb)(BC[6a]3)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(P[5]C[5]B){1|Yb<15>,1|C<3>,1|C<4>,2|H<1>}	P[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5]Yb)(BC[6a]3){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	130.9660	0.000	1	130.9660	0.000	1	130.9660	0.000	1	122.8333	52.781	3	126.9907	7.373	49	125.9968	11.787	60
727	246	643	0:SP2_SP2_SP3	C[5,6a]	P[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:P[5]-3:	C[5,6a]-3:P[5]-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(P[5]P[5]C)	P[5](C[5,6a]C[5,6a]C[6a])(P[5]C[6a]2P[5])(CC3)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(P[5]P[5]C){1|C<4>,2|H<1>,3|C<3>}	P[5](C[5,6a]C[5,6a]C[6a])(P[5]C[6a]2P[5])(CC3){1|C<4>,1|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|P<3>,1|P<4>}	118.7670	2.520	2	118.7670	6.351	2	118.7670	6.351	2	122.8333	52.781	3	126.9907	7.373	49	125.9968	11.787	60
727	246	643	0:SP2_SP2_SP3	C[5,6a]	P[5]	C[6a]	3:3:3:	3:4:4:	3:3:2:	C[5,6a]-3:C[6a]-3:P[5]-3:	C[5,6a]-3:C[5]-4:C-4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]O)(P[5]C[5]C)	P[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]H)(CC3)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(OC)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]O)(P[5]C[5]C){1|C<3>,1|C<4>,3|H<1>}	P[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]H)(CC3){1|H<1>,1|P<3>,2|C<3>,2|O<2>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>,2|C<4>}	130.3000	0.000	1	130.3000	0.000	1	130.3000	0.000	1	130.3000	0.000	1	126.9907	7.373	49	125.9968	11.787	60
727	246	727	0:SP2_SP2_SP3	C[5,5a]	P[5]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5,5a]-3:P[5]-3:C[5a]-3:	C[5,5a]-3:C[5,5a]-3:C[6a]-3:	C[5,5a]-3:C[5a]-3:H-1:	C[5,5a](C[5,5a]C[5,5a]S[5a])(P[5]C[5,5a]C[6a])(C[5a]C[5a]H)	P[5](C[5,5a]C[5,5a]C[5a])2(C[6a]C[6a]2)	C[5a](C[5,5a]C[5,5a]P[5])(C[5a]S[5a]H)(H)	C[5,5a](C[5,5a]C[5,5a]S[5a])(P[5]C[5,5a]C[6a])(C[5a]C[5a]H){1|H<1>,1|S<2>,3|C<3>}	P[5](C[5,5a]C[5,5a]C[5a])2(C[6a]C[6a]2){2|F<1>,2|H<1>,2|S<2>,4|C<3>}	C[5a](C[5,5a]C[5,5a]P[5])(C[5a]S[5a]H)(H){3|C<3>}	137.0245	0.009	2	137.0245	0.000	2	137.0245	0.000	2	137.0245	0.000	2	137.0245	0.000	2	130.6968	85.515	4
727	246	727	0:SP2_SP2_SP3	C[5a]	P[5]	C[5a,6a]	3:3:3:	3:4:4:	3:3:3:	C[5a,6a]-3:C[5a]-3:P[5]-3:	C[5a]-3:C[5]-4:C[5]-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]P[5])(P[5]C[5]2)	P[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)2	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]P[5])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]P[5])(P[5]C[5]2){1|O<1>,2|C<3>,3|H<1>,6|C<4>}	P[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)2{1|P<4>,1|S<2>,2|C<3>,4|H<1>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]P[5])(C[6a]C[6a]H){1|C<3>,1|P<4>,2|C<4>,2|H<1>}	131.3110	0.000	1	131.3110	0.000	1	131.3110	0.000	1	131.3110	0.000	1	131.3110	0.000	1	130.6968	85.515	4
727	246	727	0:SP2_SP2_SP3	C[5a]	P[5]	C[5a]	3:3:3:	3:4:4:	3:2:4:	C[5a,6a]-3:C[5a]-3:P[5]-3:	C[5a]-3:C[5]-4:C[5]-4:	C[5a]-3:S[5a]-2:P[5]-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]P[5])(P[5]C[5]2)	P[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)2	C[5a](C[5a]C[5a,6a]P[5])(S[5a]C[5a,6a])(P[5]C[5]2O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]P[5])(P[5]C[5]2){1|O<1>,2|C<3>,3|H<1>,6|C<4>}	P[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)2{1|P<4>,1|S<2>,2|C<3>,4|H<1>}	C[5a](C[5a]C[5a,6a]P[5])(S[5a]C[5a,6a])(P[5]C[5]2O){2|C<3>,2|H<1>,6|C<4>}	117.4270	0.000	1	117.4270	0.000	1	117.4270	0.000	1	117.4270	0.000	1	117.4270	0.000	1	130.6968	85.515	4
727	246	727	5:SP2_SP2_SP3	C[5,5a]	P[5]	C[5,5a]	3:3:3:	3:3:3:	3:3:2:	C[5,5a]-3:P[5]-3:C[5a]-3:	C[5,5a]-3:C[5,5a]-3:C[6a]-3:	C[5,5a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a](C[5,5a]C[5,5a]S[5a])(P[5]C[5,5a]C[6a])(C[5a]C[5a]H)	P[5](C[5,5a]C[5,5a]C[5a])2(C[6a]C[6a]2)	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a]P[5])(S[5a]C[5a])	C[5,5a](C[5,5a]C[5,5a]S[5a])(P[5]C[5,5a]C[6a])(C[5a]C[5a]H){1|H<1>,1|S<2>,3|C<3>}	P[5](C[5,5a]C[5,5a]C[5a])2(C[6a]C[6a]2){2|F<1>,2|H<1>,2|S<2>,4|C<3>}	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5a]C[5a]P[5])(S[5a]C[5a]){2|H<1>,3|C<3>}	109.8715	0.384	2	109.8715	0.147	2	109.8715	0.147	2	109.8715	0.147	2	109.8715	0.147	2	113.3082	10.761	53
727	246	727	5:SP2_SP2_SP3	C[5,6a]	P[5,5]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:P[5,5]-3:C[6a]-3:	C[5,6a]-3:P[5,5]-3:P[5]-3:	C[5,6a]-3:P[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]P[5])(P[5,5]P[5,5]P[5])(C[6a]C[6a]H)	P[5,5](C[5,6a]C[5,6a]C[6a])(P[5,5]C[5,6a]P[5])(P[5]C[5,6a]Li)	C[5,6a](C[5,6a]P[5,5]C[6a])(P[5]P[5,5]Li)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]P[5])(P[5,5]P[5,5]P[5])(C[6a]C[6a]H){2|Li<4>,2|H<1>,3|C<3>}	P[5,5](C[5,6a]C[5,6a]C[6a])(P[5,5]C[5,6a]P[5])(P[5]C[5,6a]Li){1|Li<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]P[5,5]C[6a])(P[5]P[5,5]Li)(C[6a]C[6a]H){1|P<3>,2|C<3>,2|H<1>}	119.4295	0.046	2	119.4295	0.002	2	119.4295	0.002	2	119.4295	0.002	2	119.4295	0.002	2	113.3082	10.761	53
727	246	727	5:SP2_SP2_SP3	C[5,6a]	P[5,6]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	P[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[5,6]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](P[5,6]C[6,6a]C[5,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	P[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])	C[5,6a](C[5,6a]P[5,6]C[6a])(C[5]C[5,6]H)(C[6a]C[6a]H)	C[5,6a](P[5,6]C[6,6a]C[5,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	P[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]){4|H<1>,5|C<3>}	C[5,6a](C[5,6a]P[5,6]C[6a])(C[5]C[5,6]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	108.5970	0.000	1	108.5970	0.000	1	108.5970	0.000	1	108.5970	0.000	1	108.5970	0.000	1	113.3082	10.761	53
727	246	727	5:SP2_SP2_SP3	C[5,6a]	P[5]	C[5,6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:P[5]-3:	C[5,6a]-3:As[5]-3:C-4:	C[5,6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]As[5]C)	P[5](C[5,6a]C[5,6a,6a]C[6a])(As[5]C[5,6a]C[6a])(CCCH)	C[5,6a,6a](C[5,6a,6a]C[5,6a]2)(C[5,6a]As[5]C[6a])(C[5,6a]C[6a]P[5])	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]As[5]C){1|H<1>,4|C<3>}	P[5](C[5,6a]C[5,6a,6a]C[6a])(As[5]C[5,6a]C[6a])(CCCH){1|H<1>,5|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a]2)(C[5,6a]As[5]C[6a])(C[5,6a]C[6a]P[5]){2|H<1>,3|C<3>,3|C<4>}	116.0540	0.298	2	116.0540	0.089	2	116.0540	0.089	2	116.3356	2.080	7	115.3773	7.758	15	113.3082	10.761	53
727	246	727	5:SP2_SP2_SP3	C[5,6a]	P[5]	C[5,6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:P[5]-3:	C[5,6a]-3:P[5]-3:C-4:	C[5,6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]P[5]C)	P[5](C[5,6a]C[5,6a,6a]C[6a])(P[5]C[5,6a]C[5])(CCCH)	C[5,6a,6a](C[5,6a,6a]C[5,6a]2)(C[5,6a]C[6a]P[5])2	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]P[5]C){1|C<4>,1|H<1>,3|C<3>}	P[5](C[5,6a]C[5,6a,6a]C[6a])(P[5]C[5,6a]C[5])(CCCH){1|Fe<10>,1|H<1>,2|C<4>,3|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a]2)(C[5,6a]C[6a]P[5])2{2|C<3>,2|H<1>,4|C<4>}	114.8880	0.000	1	114.8880	0.000	1	114.8880	0.000	1	116.3356	2.080	7	115.3773	7.758	15	113.3082	10.761	53
727	246	727	5:SP2_SP2_SP3	C[5,6a]	P[5]	C[5,6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:P[5]-3:	C[5,6a]-3:P[5]-3:P[5]-4:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]P[5]2)	P[5](C[5,6a]C[5,6a,6a]C[6a])(P[5]C[5,6a]P[5])(P[5]C[5,6a]NN)	C[5,6a,6a](C[5,6a]C[6a]P[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]P[5]2){1|H<1>,1|P<4>,2|N<3>,4|C<3>}	P[5](C[5,6a]C[5,6a,6a]C[6a])(P[5]C[5,6a]P[5])(P[5]C[5,6a]NN){1|H<1>,2|N<3>,6|C<3>}	C[5,6a,6a](C[5,6a]C[6a]P[5])2(C[6a,6a]C[6a]2){1|P<3>,2|C<3>,2|N<3>,4|H<1>}	117.9940	0.000	1	117.9940	0.000	1	117.7037	0.070	3	116.3356	2.080	7	115.3773	7.758	15	113.3082	10.761	53
727	246	727	5:SP2_SP2_SP3	C[5,6a]	P[5]	C[5,6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:P[5]-3:	C[5,6a]-3:P[5]-3:P[5]-4:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]P[5]2)	P[5](C[5,6a]C[5,6a,6a]C[6a])(P[5]C[5,6a]P[5])(P[5]C[5,6a]NO)	C[5,6a,6a](C[5,6a]C[6a]P[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]P[5]2){1|H<1>,1|N<3>,1|O<1>,1|P<4>,4|C<3>}	P[5](C[5,6a]C[5,6a,6a]C[6a])(P[5]C[5,6a]P[5])(P[5]C[5,6a]NO){1|H<1>,1|N<3>,1|O<1>,6|C<3>}	C[5,6a,6a](C[5,6a]C[6a]P[5])2(C[6a,6a]C[6a]2){1|N<3>,1|O<1>,1|P<3>,2|C<3>,4|H<1>}	117.6380	0.000	1	117.6380	0.000	1	117.7037	0.070	3	116.3356	2.080	7	115.3773	7.758	15	113.3082	10.761	53
727	246	727	5:SP2_SP2_SP3	C[5,6a]	P[5]	C[5,6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:P[5]-3:	C[5,6a]-3:P[5]-3:P[5]-4:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]P[5]2)	P[5](C[5,6a]C[5,6a,6a]C[6a])(P[5]C[5,6a]P[5])(P[5]C[5,6a]SeO)	C[5,6a,6a](C[5,6a]C[6a]P[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]P[5]2){1|Se<1>,1|H<1>,1|O<2>,1|P<4>,4|C<3>}	P[5](C[5,6a]C[5,6a,6a]C[6a])(P[5]C[5,6a]P[5])(P[5]C[5,6a]SeO){1|Se<1>,1|H<1>,1|O<2>,6|C<3>}	C[5,6a,6a](C[5,6a]C[6a]P[5])2(C[6a,6a]C[6a]2){1|Se<1>,1|O<2>,1|P<3>,2|C<3>,4|H<1>}	117.4790	0.000	1	117.4790	0.000	1	117.7037	0.070	3	116.3356	2.080	7	115.3773	7.758	15	113.3082	10.761	53
727	246	727	5:SP2_SP2_SP3	C[5,6a]	P[5]	C[5,6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a,6a]-3:P[5]-3:C[6a]-3:	C[5,6a]-3:P[5]-3:C[5]-4:	C[5,6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(P[5]C[5]P[5])(C[6a]C[6a]H)	P[5](C[5,6a]C[5,6a,6a]C[6a])(P[5]C[5,6a]C)(C[5]C[5]2Fe)	C[5,6a,6a](C[5,6a,6a]C[5,6a]2)(C[5,6a]C[6a]P[5])2	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(P[5]C[5]P[5])(C[6a]C[6a]H){1|Fe<10>,1|H<1>,3|C<3>,3|C<4>}	P[5](C[5,6a]C[5,6a,6a]C[6a])(P[5]C[5,6a]C)(C[5]C[5]2Fe){2|C<4>,3|C<3>,3|H<1>}	C[5,6a,6a](C[5,6a,6a]C[5,6a]2)(C[5,6a]C[6a]P[5])2{2|C<3>,2|H<1>,4|C<4>}	114.2420	0.000	1	114.2420	0.000	1	114.2420	0.000	1	116.3356	2.080	7	115.3773	7.758	15	113.3082	10.761	53
727	246	727	5:SP2_SP2_SP3	C[5,6a]	P[5]	C[5,6a,6a]	3:3:3:	3:4:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:P[5]-3:	C[5,6a]-3:P[5]-4:Cl-1:	C[5,6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]P[5]Cl)	P[5](C[5,6a]C[5,6a,6a]C[6a])(P[5]C[5,6a]C[6a]2)(Cl)	C[5,6a,6a](C[5,6a,6a]C[5,6a]2)(C[5,6a]C[6a]P[5])2	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]P[5]Cl){1|H<1>,5|C<3>}	P[5](C[5,6a]C[5,6a,6a]C[6a])(P[5]C[5,6a]C[6a]2)(Cl){1|H<1>,7|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a]2)(C[5,6a]C[6a]P[5])2{1|Cl<1>,2|C<4>,2|H<1>,4|C<3>}	116.4850	0.000	1	116.4850	0.000	1	116.4850	0.000	1	117.2105	1.053	2	115.3773	7.758	15	113.3082	10.761	53
727	246	727	5:SP2_SP2_SP3	C[5,6a]	P[5]	C[5,6a,6a]	3:3:3:	3:4:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:P[5]-3:	C[5,6a]-3:P[5]-4:I-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]P[5]I)	P[5](C[5,6a]C[5,6a,6a]C[6a])(P[5]C[5,6a]NN)(I)	C[5,6a,6a](C[5,6a]C[6a]P[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]P[5]I){1|H<1>,2|N<3>,3|C<3>}	P[5](C[5,6a]C[5,6a,6a]C[6a])(P[5]C[5,6a]NN)(I){1|H<1>,3|C<3>}	C[5,6a,6a](C[5,6a]C[6a]P[5])2(C[6a,6a]C[6a]2){1|I<1>,2|C<3>,2|N<3>,4|H<1>}	117.9360	0.000	1	117.9360	0.000	1	117.9360	0.000	1	117.2105	1.053	2	115.3773	7.758	15	113.3082	10.761	53
727	246	727	5:SP2_SP2_SP3	C[5,6a]	P[5]	C[5,6a,6a]	3:3:3:	3:4:3:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:P[5]-3:	C[5,6a]-3:P[5]-4:N-3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]P[5]N)	P[5](C[5,6a]C[5,6a,6a]C[6a])(P[5]C[5,6a]NN)(NCC)	C[5,6a,6a](C[5,6a]C[6a]P[5])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]P[5]N){1|H<1>,2|N<3>,3|C<3>}	P[5](C[5,6a]C[5,6a,6a]C[6a])(P[5]C[5,6a]NN)(NCC){1|H<1>,3|C<3>}	C[5,6a,6a](C[5,6a]C[6a]P[5])2(C[6a,6a]C[6a]2){2|C<3>,3|N<3>,4|H<1>}	119.5680	0.000	1	119.5680	0.000	1	119.5680	0.000	1	113.6482	12.797	6	115.3773	7.758	15	113.3082	10.761	53
727	246	727	5:SP2_SP2_SP3	C[5,6a]	P[5]	C[5,6a,6a]	3:3:3:	3:4:3:	3:3:3:	C[5,6a,6a]-3:P[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(P[5]C[6a]C[5])(C[6a]C[6a]H)	P[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]2)	C[5,6a,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[6a]P[5])(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(P[5]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	P[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]2){1|P<3>,2|H<1>,5|C<3>}	C[5,6a,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[6a]P[5])(C[6a,6a]C[6a]2){3|C<3>,6|H<1>}	111.4288	0.404	4	111.4288	0.163	4	111.4288	0.163	4	113.6482	12.797	6	115.3773	7.758	15	113.3082	10.761	53
727	246	727	5:SP2_SP2_SP3	C[5,6a]	P[5]	C[5,6a,6a]	3:3:3:	3:4:3:	3:3:3:	C[5,6a,6a]-3:P[5]-3:C[6a]-3:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(P[5]C[6a]P[5])(C[6a]C[6a]H)	P[5](C[5,6a]C[5,6a,6a]C[6a])(P[5]C[5,6a]CC)(C[6a]C[6a]2)	C[5,6a,6a](C[5,6a,6a]C[5,6a]2)(C[5,6a]C[6a]P[5])2	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(P[5]C[6a]P[5])(C[6a]C[6a]H){1|H<1>,2|C<4>,5|C<3>}	P[5](C[5,6a]C[5,6a,6a]C[6a])(P[5]C[5,6a]CC)(C[6a]C[6a]2){3|H<1>,5|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a]2)(C[5,6a]C[6a]P[5])2{2|H<1>,3|C<3>,4|C<4>}	116.6060	0.000	1	116.6060	0.000	1	116.6060	0.000	1	113.6482	12.797	6	115.3773	7.758	15	113.3082	10.761	53
727	246	727	5:SP2_SP2_SP3	C[5,6a]	P[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:P[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(P[5]C[5]H)	P[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(P[5]C[5]H){2|H<1>,3|C<3>}	P[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	110.2590	0.000	1	110.2590	0.000	1	110.2590	0.000	1	111.2637	0.759	3	112.3478	7.356	33	113.3082	10.761	53
727	246	727	5:SP2_SP2_SP3	C[5,6a]	P[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:P[5]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:I-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]I)(C[6a]C[6a]H)	P[5](C[5,6a]C[5,6a]C[6a])2(I)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]I)(C[6a]C[6a]H){2|H<1>,3|C<3>}	P[5](C[5,6a]C[5,6a]C[6a])2(I){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|I<1>,3|C<3>,3|H<1>}	111.7660	0.062	2	111.7660	0.004	2	111.7660	0.004	2	111.2637	0.759	3	112.3478	7.356	33	113.3082	10.761	53
727	246	727	5:SP2_SP2_SP3	C[5,6a]	P[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:P[5]-3:	C[5,6a]-3:N[5]-3:Cl-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(P[5]N[5]Cl)	P[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(Cl)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]N[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(P[5]N[5]Cl){2|C<3>,4|H<1>}	P[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(Cl){3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]N[5]HH){1|Cl<1>,2|C<3>,2|H<1>}	111.8730	0.000	1	111.8730	0.000	1	111.8730	0.000	1	111.8730	0.000	1	112.3478	7.356	33	113.3082	10.761	53
727	246	727	5:SP2_SP2_SP3	C[5,6a]	P[5]	C[5,6a]	3:3:3:	3:3:2:	3:3:4:	C[5,6a]-3:C[6a]-3:P[5]-3:	C[5,6a]-3:N[5]-3:C-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(P[5]N[5]C)	P[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CC)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]N[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(P[5]N[5]C){2|C<3>,4|H<1>}	P[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CC){3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]N[5]HH){1|C<2>,2|C<3>,2|H<1>}	111.2700	0.000	1	111.2700	0.000	1	111.2700	0.000	1	111.5410	0.147	2	112.3478	7.356	33	113.3082	10.761	53
727	246	727	5:SP2_SP2_SP3	C[5,6a]	P[5]	C[5,6a]	3:3:3:	3:3:2:	3:3:4:	C[5,6a]-3:C[6a]-3:P[5]-3:	C[5,6a]-3:N[5]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(P[5]N[5]O)	P[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(OC)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]N[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(P[5]N[5]O){2|C<3>,4|H<1>}	P[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(OC){2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]N[5]HH){1|H<1>,1|O<2>,3|C<3>}	111.8120	0.000	1	111.8120	0.000	1	111.8120	0.000	1	111.5410	0.147	2	112.3478	7.356	33	113.3082	10.761	53
727	246	727	5:SP2_SP2_SP3	C[5,6a]	P[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:P[5]-3:C[6a]-3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(P[5]C[5,5]C[6a])(C[6a]C[6a]H)	P[5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5,6a](C[5,5]C[5,5]S[5])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(P[5]C[5,5]C[6a])(C[6a]C[6a]H){1|S<4>,2|H<1>,4|C<3>}	P[5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){1|S<4>,3|H<1>,6|C<3>}	C[5,6a](C[5,5]C[5,5]S[5])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){2|H<1>,2|O<1>,4|C<3>}	111.8440	0.000	1	111.8440	0.000	1	111.8440	0.000	1	111.8972	2.956	9	112.3478	7.356	33	113.3082	10.761	53
727	246	727	5:SP2_SP2_SP3	C[5,6a]	P[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:P[5]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a])(C[6a]C[6a]Cl)	P[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a])(C[6a]C[6a]Cl){2|H<1>,5|C<3>}	P[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2){2|Cl<1>,1|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,5|C<3>}	112.6420	0.000	1	112.6420	0.000	1	112.7448	0.188	6	111.8972	2.956	9	112.3478	7.356	33	113.3082	10.761	53
727	246	727	5:SP2_SP2_SP3	C[5,6a]	P[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:P[5]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a])(C[6a]C[6a]H)	P[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	P[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2){2|Cl<1>,1|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]C){3|H<1>,4|C<3>}	112.8470	0.000	1	112.8470	0.000	1	112.7448	0.188	6	111.8972	2.956	9	112.3478	7.356	33	113.3082	10.761	53
727	246	727	5:SP2_SP2_SP3	C[5,6a]	P[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:P[5]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a])(C[6a]C[6a]H)	P[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	P[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	112.9270	0.881	2	112.9270	0.776	2	112.7448	0.188	6	111.8972	2.956	9	112.3478	7.356	33	113.3082	10.761	53
727	246	727	5:SP2_SP2_SP3	C[5,6a]	P[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:P[5]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a])(C[6a]N[6a]H)	P[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a])(C[6a]N[6a]H){1|H<1>,5|C<3>}	P[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2){2|N<2>,4|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	112.5630	0.110	2	112.5630	0.012	2	112.7448	0.188	6	111.8972	2.956	9	112.3478	7.356	33	113.3082	10.761	53
727	246	727	5:SP2_SP2_SP3	C[5,6a]	P[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:P[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5])(C[6a]C[6a]H)	P[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,5|C<3>}	P[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|H<1>,2|C<4>,7|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,5|C<3>}	107.6880	0.000	1	107.6880	0.000	1	107.6880	0.000	1	111.8972	2.956	9	112.3478	7.356	33	113.3082	10.761	53
727	246	727	5:SP2_SP2_SP3	C[5,6a]	P[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:P[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5])(C[6a]C[6a]H)	P[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]Br)	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5])(C[6a]C[6a]H){1|Br<1>,2|H<1>,4|C<3>}	P[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|Br<1>,3|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]Br){2|H<1>,3|C<3>}	111.0740	0.000	1	111.0740	0.000	1	111.0740	0.000	1	111.8972	2.956	9	112.3478	7.356	33	113.3082	10.761	53
727	246	727	5:SP2_SP2_SP3	C[5,6a]	P[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:P[5]-3:C[6a]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]N[5])(C[6a]C[6a]H)	P[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]N[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]N[5])(C[6a]C[6a]H){4|C<3>,4|H<1>}	P[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]2){5|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]N[5]HH){2|H<1>,3|C<3>}	111.9720	0.000	1	111.9720	0.000	1	111.9720	0.000	1	111.9720	0.000	1	112.3478	7.356	33	113.3082	10.761	53
727	246	727	5:SP2_SP2_SP3	C[5,6a]	P[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:P[5]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C-4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C)(C[6a]C[6a]2)	P[5](C[5,6a]C[5,6a]C[6a])2(CH3)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C)(C[6a]C[6a]2){2|H<1>,5|C<3>}	P[5](C[5,6a]C[5,6a]C[6a])2(CH3){1|C<4>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	111.1970	0.260	2	111.1970	0.068	2	111.8995	0.193	11	111.9063	0.162	13	112.3478	7.356	33	113.3082	10.761	53
727	246	727	5:SP2_SP2_SP3	C[5,6a]	P[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:P[5]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C-4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C)(C[6a]C[6a]C)	P[5](C[5,6a]C[5,6a]C[6a])2(CH3)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C)(C[6a]C[6a]C){2|H<1>,3|C<3>}	P[5](C[5,6a]C[5,6a]C[6a])2(CH3){1|C<4>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|H<1>,3|C<3>,3|C<4>}	112.3100	0.191	2	112.3100	0.036	2	111.8995	0.193	11	111.9063	0.162	13	112.3478	7.356	33	113.3082	10.761	53
727	246	727	5:SP2_SP2_SP3	C[5,6a]	P[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:P[5]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C-4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C)(C[6a]C[6a]H)	P[5](C[5,6a]C[5,6a]C[6a])2(CHHP)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	P[5](C[5,6a]C[5,6a]C[6a])2(CHHP){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	111.9829	0.276	7	111.9829	0.076	7	111.8995	0.193	11	111.9063	0.162	13	112.3478	7.356	33	113.3082	10.761	53
727	246	727	5:SP2_SP2_SP3	C[5,6a]	P[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:P[5]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[5])(C[6a]C[6a]H)	P[5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]2Fe)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[5])(C[6a]C[6a]H){1|Fe<10>,2|C<4>,2|H<1>,3|C<3>}	P[5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]2Fe){3|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	111.9440	0.078	2	111.9440	0.006	2	111.9440	0.006	2	111.9063	0.162	13	112.3478	7.356	33	113.3082	10.761	53
727	246	727	5:SP2_SP2_SP3	C[5,6a]	P[5]	C[5,6a]	3:3:3:	3:4:4:	3:3:2:	C[5,6a]-3:C[6a]-3:P[5]-3:	C[5,6a]-3:C[5]-4:C-4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]O)(P[5]C[5]C)	P[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]H)(CC3)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]O)(P[5]C[5]C){1|C<3>,1|C<4>,3|H<1>}	P[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]H)(CC3){1|H<1>,1|P<3>,2|C<3>,2|O<2>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(O[5]C[5]){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	111.1230	0.000	1	111.1230	0.000	1	111.1230	0.000	1	111.1230	0.000	1	112.3478	7.356	33	113.3082	10.761	53
727	246	727	5:SP2_SP2_SP3	C[5,6a]	P[5]	C[5,6a]	3:3:3:	3:4:4:	3:3:3:	C[5,6a]-3:C[6a]-3:P[5]-3:	C[5,6a]-3:C[5]-4:B-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(P[5]C[5]B)	P[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5]Yb)(BC[6a]3)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]C[5]Yb)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(P[5]C[5]B){1|Yb<15>,1|C<3>,1|C<4>,2|H<1>}	P[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5]Yb)(BC[6a]3){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]C[5]Yb){1|B<4>,1|C<3>,1|C<4>,2|H<1>}	109.8610	0.000	1	109.8610	0.000	1	109.8610	0.000	1	117.9270	51.851	3	112.3478	7.356	33	113.3082	10.761	53
727	246	727	5:SP2_SP2_SP3	C[5,6a]	P[5]	C[5,6a]	3:3:3:	3:4:4:	3:3:3:	C[5,6a]-3:C[6a]-3:P[5]-3:	C[5,6a]-3:P[5]-4:C-4:	C[5,6a]-3:C[6a]-3:P[5]-3:	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(P[5]P[5]C)	P[5](C[5,6a]C[5,6a]C[6a])(P[5]C[6a]2P[5])(CC3)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(P[5]P[5]C)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(P[5]P[5]C){1|C<4>,2|H<1>,3|C<3>}	P[5](C[5,6a]C[5,6a]C[6a])(P[5]C[6a]2P[5])(CC3){1|C<4>,1|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(P[5]P[5]C){1|C<4>,2|H<1>,3|C<3>}	121.9600	2.472	2	121.9600	6.111	2	121.9600	6.111	2	117.9270	51.851	3	112.3478	7.356	33	113.3082	10.761	53
727	246	727	6:SP2_SP2_SP3	C[5,6,6a]	P[3x5,6,6]	C[5,6,6a]	3:3:3:	3:3:3:	3:3:3:	P[3x5,6,6]-3:C[5,6,6a]-3:C[6a]-3:	P[3x5,4x6]-3:P[4x5,6,6]-3:C[5,6,6a]-3:	P[3x5,6,6]-3:C[5,6,6a]-3:C[6a]-3:	C[5,6,6a](P[3x5,6,6]P[3x5,4x6]P[4x5,6,6])(C[5,6,6a]P[3x5,6,6]C[6a])(C[6a]C[6a]H)	P[3x5,6,6](P[3x5,4x6]P[3x5,4x6]P[3x5,6,6])(P[4x5,6,6]P[3x5,6,6]P[4x5,6,6])(C[5,6,6a]C[5,6,6a]C[6a])	C[5,6,6a](P[3x5,6,6]P[3x5,4x6]P[4x5,6,6])(C[5,6,6a]P[3x5,6,6]C[6a])(C[6a]C[6a]H)	C[5,6,6a](P[3x5,6,6]P[3x5,4x6]P[4x5,6,6])(C[5,6,6a]P[3x5,6,6]C[6a])(C[6a]C[6a]H){1|C<3>,2|H<1>,3|P<3>}	P[3x5,6,6](P[3x5,4x6]P[3x5,4x6]P[3x5,6,6])(P[4x5,6,6]P[3x5,6,6]P[4x5,6,6])(C[5,6,6a]C[5,6,6a]C[6a]){1|H<1>,1|P<3>,3|C<3>}	C[5,6,6a](P[3x5,6,6]P[3x5,4x6]P[4x5,6,6])(C[5,6,6a]P[3x5,6,6]C[6a])(C[6a]C[6a]H){1|C<3>,2|H<1>,3|P<3>}	119.4306	0.298	8	119.4306	0.089	8	119.4306	0.089	8	119.4306	0.089	8	119.4306	0.089	8	119.4306	0.089	8
727	286	519	0:SP2_SP2_SP2	C[5a,6]	S[6]	N[5a]	3:2:2:	3:3:	3:2:	N[5a,6]-3:N[5a]-2:S[6]-2:	C[5a,6]-3:C[6]-3:	C[5a,6]-3:N[5a]-2:	C[5a,6](N[5a,6]C[5a]N[6])(N[5a]N[5a])(S[6]C[6])	S[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]C)	N[5a](C[5a,6]N[5a,6]S[6])(N[5a]C[5a])	C[5a,6](N[5a,6]C[5a]N[6])(N[5a]N[5a])(S[6]C[6]){1|C<4>,2|C<3>}	S[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]C){2|C<3>,2|N<2>}	N[5a](C[5a,6]N[5a,6]S[6])(N[5a]C[5a]){1|C<3>,1|C<4>,1|N<2>}	127.3210	0.000	1	126.4375	1.561	2	125.8680	1.451	5	125.8355	1.167	6	127.3112	7.727	45	127.3112	7.727	45
727	286	519	0:SP2_SP2_SP2	C[5a,6]	S[6]	N[5a]	3:2:2:	3:3:	3:2:	N[5a,6]-3:N[5a]-2:S[6]-2:	C[5a,6]-3:C[6]-3:	C[5a,6]-3:N[5a]-2:	C[5a,6](N[5a,6]C[5a]N[6])(N[5a]N[5a])(S[6]C[6])	S[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]C)	N[5a](C[5a,6]N[5a,6]S[6])(N[5a]C[5a])	C[5a,6](N[5a,6]C[5a]N[6])(N[5a]N[5a])(S[6]C[6]){3|C<3>}	S[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]C){2|C<3>,2|N<2>}	N[5a](C[5a,6]N[5a,6]S[6])(N[5a]C[5a]){1|N<2>,2|C<3>}	125.5540	0.000	1	126.4375	1.561	2	125.8680	1.451	5	125.8355	1.167	6	127.3112	7.727	45	127.3112	7.727	45
727	286	519	0:SP2_SP2_SP2	C[5a,6]	S[6]	N[5a]	3:2:2:	3:3:	3:2:	N[5a,6]-3:N[5a]-2:S[6]-2:	C[5a,6]-3:C[6]-3:	C[5a,6]-3:N[5a]-2:	C[5a,6](N[5a,6]C[5a]N[6])(N[5a]N[5a])(S[6]C[6])	S[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]N)	N[5a](C[5a,6]N[5a,6]S[6])(N[5a]C[5a])	C[5a,6](N[5a,6]C[5a]N[6])(N[5a]N[5a])(S[6]C[6]){1|N<2>,2|C<3>}	S[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]N){1|C<3>,1|C<4>,2|N<2>}	N[5a](C[5a,6]N[5a,6]S[6])(N[5a]C[5a]){1|N<2>,2|C<3>}	124.7675	0.211	2	124.7675	0.045	2	125.8680	1.451	5	125.8355	1.167	6	127.3112	7.727	45	127.3112	7.727	45
727	286	519	0:SP2_SP2_SP2	C[5a,6]	S[6]	N[5a]	3:2:2:	3:3:	3:2:	N[5a,6]-3:N[5a]-2:S[6]-2:	C[5a,6]-3:C[6]-3:	C[5a,6]-3:N[5a]-2:	C[5a,6](N[5a,6]C[6,6a]N[5a])(N[5a]N[5a])(S[6]C[6])	S[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6,6a]C)	N[5a](C[5a,6]N[5a,6]S[6])(N[5a]N[5a])	C[5a,6](N[5a,6]C[6,6a]N[5a])(N[5a]N[5a])(S[6]C[6]){3|C<3>}	S[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6,6a]C){2|C<3>,2|N<2>}	N[5a](C[5a,6]N[5a,6]S[6])(N[5a]N[5a]){2|C<3>}	126.9300	0.000	1	126.9300	0.000	1	125.8680	1.451	5	125.8355	1.167	6	127.3112	7.727	45	127.3112	7.727	45
727	286	519	0:SP2_SP2_SP2	C[5a,6]	S[6]	N[5a]	3:2:2:	3:3:	3:2:	N[5a,6]-3:S[6]-2:N[5a]-2:	C[5a,6]-3:C[6,6a]-3:	C[5a,6]-3:N[5a]-2:	C[5a,6](N[5a,6]C[5a]C[6])(S[6]C[6,6a])(N[5a]N[5a])	S[6](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])	N[5a](C[5a,6]N[5a,6]S[6])(N[5a]C[5a])	C[5a,6](N[5a,6]C[5a]C[6])(S[6]C[6,6a])(N[5a]N[5a]){2|H<1>,3|C<3>}	S[6](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	N[5a](C[5a,6]N[5a,6]S[6])(N[5a]C[5a]){1|C<4>,2|C<3>}	125.6730	0.000	1	125.6730	0.000	1	125.6730	0.000	1	125.8355	1.167	6	127.3112	7.727	45	127.3112	7.727	45
727	286	519	0:SP2_SP2_SP2	C[5a,6]	S[6]	N[5a]	3:2:2:	3:3:	3:3:	N[5a,6]-3:N[5a]-2:S[6]-2:	C[5a,6]-3:C[6,6a]-3:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(S[6]C[6,6a])	S[6](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]S[6])	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(S[6]C[6,6a]){1|N<2>,4|C<3>}	S[6](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a]){1|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]S[6]){1|H<1>,4|C<3>}	120.5560	0.000	1	121.3765	1.346	2	121.3765	1.346	2	121.3765	1.346	2	127.3112	7.727	45	127.3112	7.727	45
727	286	519	0:SP2_SP2_SP2	C[5a,6]	S[6]	N[5a]	3:2:2:	3:3:	3:3:	N[5a,6]-3:N[5a]-2:S[6]-2:	C[5a,6]-3:C[6,6a]-3:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(S[6]C[6,6a])	S[6](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]S[6])	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(S[6]C[6,6a]){1|O<1>,4|C<3>}	S[6](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a]){1|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]S[6]){1|H<1>,4|C<3>}	122.1970	0.000	1	121.3765	1.346	2	121.3765	1.346	2	121.3765	1.346	2	127.3112	7.727	45	127.3112	7.727	45
727	286	519	0:SP2_SP2_SP2	C[5a,6]	S[6]	N[5a]	3:2:2:	3:4:	3:2:	N[5a,6]-3:N[5a]-2:S[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6]-3:N[5a]-2:	C[5a,6](N[5a,6]C[5a]N[6])(N[5a]N[5a])(S[6]C[6])	S[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]HH)	N[5a](C[5a,6]N[5a,6]S[6])(N[5a]C[5a])	C[5a,6](N[5a,6]C[5a]N[6])(N[5a]N[5a])(S[6]C[6]){1|C<3>,1|C<4>,2|H<1>}	S[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]HH){2|C<3>,2|N<2>}	N[5a](C[5a,6]N[5a,6]S[6])(N[5a]C[5a]){1|N<2>,2|C<4>}	129.0954	0.646	18	129.0327	0.368	30	129.0327	0.368	30	129.0327	0.368	30	127.3112	7.727	45	127.3112	7.727	45
727	286	519	0:SP2_SP2_SP2	C[5a,6]	S[6]	N[5a]	3:2:2:	3:4:	3:2:	N[5a,6]-3:N[5a]-2:S[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6]-3:N[5a]-2:	C[5a,6](N[5a,6]C[5a]N[6])(N[5a]N[5a])(S[6]C[6])	S[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]HH)	N[5a](C[5a,6]N[5a,6]S[6])(N[5a]C[5a])	C[5a,6](N[5a,6]C[5a]N[6])(N[5a]N[5a])(S[6]C[6]){2|C<3>,2|H<1>}	S[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]HH){2|C<3>,2|N<2>}	N[5a](C[5a,6]N[5a,6]S[6])(N[5a]C[5a]){1|C<3>,1|C<4>,1|N<2>}	128.9387	0.555	12	129.0327	0.368	30	129.0327	0.368	30	129.0327	0.368	30	127.3112	7.727	45	127.3112	7.727	45
727	286	519	0:SP2_SP2_SP2	C[5a,6]	S[6]	N[5a]	3:2:2:	3:4:	3:3:	N[5a,6]-3:N[5a]-2:S[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(S[6]C[6])	S[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]S[6])	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(S[6]C[6]){1|C<4>,2|C<3>,4|H<1>}	S[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]S[6]){1|H<1>,2|C<3>,2|C<4>}	121.9340	0.000	1	122.8934	2.188	7	122.8934	2.188	7	122.8934	2.188	7	127.3112	7.727	45	127.3112	7.727	45
727	286	519	0:SP2_SP2_SP2	C[5a,6]	S[6]	N[5a]	3:2:2:	3:4:	3:3:	N[5a,6]-3:N[5a]-2:S[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(S[6]C[6])	S[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]S[6])	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(S[6]C[6]){1|C<4>,3|C<3>,3|H<1>}	S[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]S[6]){1|H<1>,2|C<3>,2|C<4>}	121.7970	0.303	2	122.8934	2.188	7	122.8934	2.188	7	122.8934	2.188	7	127.3112	7.727	45	127.3112	7.727	45
727	286	519	0:SP2_SP2_SP2	C[5a,6]	S[6]	N[5a]	3:2:2:	3:4:	3:3:	N[5a,6]-3:N[5a]-2:S[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(S[6]C[6])	S[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]S[6])	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(S[6]C[6]){2|C<3>,2|C<4>,3|H<1>}	S[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]S[6]){1|H<1>,2|C<3>,2|C<4>}	121.3960	0.000	1	122.8934	2.188	7	122.8934	2.188	7	122.8934	2.188	7	127.3112	7.727	45	127.3112	7.727	45
727	286	519	0:SP2_SP2_SP2	C[5a,6]	S[6]	N[5a]	3:2:2:	3:4:	3:3:	N[5a,6]-3:N[5a]-2:S[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(S[6]C[6])	S[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]S[6])	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(S[6]C[6]){2|H<1>,4|C<3>}	S[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]HH){1|Se<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]S[6]){1|C<4>,1|H<1>,3|C<3>}	124.4433	0.361	3	122.8934	2.188	7	122.8934	2.188	7	122.8934	2.188	7	127.3112	7.727	45	127.3112	7.727	45
727	286	727	0:SP2_SP2_SP2	C[5a,6]	S[6]	C[5a,5a]	3:3:2:	3:3:	3:3:3:	C[5a,6]-3:C[5a,5a]-3:S[6]-2:	C[5a,6]-3:C[5a,6]-3:	C[5a,5a]-3:C[5a,6]-3:C[5a,5a]-3:	C[5a,6](C[5a,6]Si[6,6]S[5a])(C[5a,5a]C[5a,5a]2)(S[6]C[5a,6])	S[6](C[5a,6]C[5a,5a]C[5a,6])2	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6]C[5a,6]S[6])(C[5a,5a]S[5a]2)	C[5a,6](C[5a,6]Si[6,6]S[5a])(C[5a,5a]C[5a,5a]2)(S[6]C[5a,6]){1|S<2>,6|C<3>}	S[6](C[5a,6]C[5a,5a]C[5a,6])2{1|Si<4>,2|S<2>,4|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6]C[5a,6]S[6])(C[5a,5a]S[5a]2){1|Si<4>,1|H<1>,1|S<2>,2|C<3>}	118.5830	0.000	1	118.5830	0.000	1	118.5830	0.000	1	118.5830	0.000	1	122.5853	12.014	3	124.3375	17.243	46
727	286	727	0:SP2_SP2_SP2	C[5a,6]	S[6]	C[5a,5a]	3:3:2:	3:4:	3:3:2:	C[5a,5a]-3:C[5a,6]-3:S[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,5a]-3:C[5a,6]-3:S[5a]-2:	C[5a,6](C[5a,5a]C[5a,5a]S[5a])(C[5a,6]N[5a]C[6])(S[6]C[6])	S[6](C[5a,6]C[5a,5a]C[5a,6])(C[6]C[6a]S[6]O)	C[5a,5a](C[5a,5a]C[5a]N[5a])(C[5a,6]C[5a,6]S[6])(S[5a]S[5a])	C[5a,6](C[5a,5a]C[5a,5a]S[5a])(C[5a,6]N[5a]C[6])(S[6]C[6]){1|C<4>,1|O<2>,1|S<1>,2|C<3>,2|S<2>}	S[6](C[5a,6]C[5a,5a]C[5a,6])(C[6]C[6a]S[6]O){1|N<3>,1|S<2>,4|C<3>}	C[5a,5a](C[5a,5a]C[5a]N[5a])(C[5a,6]C[5a,6]S[6])(S[5a]S[5a]){1|C<3>,1|O<1>,2|C<4>}	124.5865	0.015	2	124.5865	0.000	2	124.5865	0.000	2	124.5865	0.000	2	122.5853	12.014	3	124.3375	17.243	46
727	286	727	0:SP2_SP2_SP2	C[5a,6]	S[6]	C[5a,6]	3:3:2:	3:3:	3:3:2:	C[5a,6]-3:C[5a,6]-3:S[6]-2:	C[6,6a]-3:C[5a,6]-3:	C[5a,6]-3:C[5a,6]-3:S[6]-2:	C[5a,6](C[5a,6]C[5a,6]S[6])(C[5a,6]N[5a]N[6])(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a,6]2)	C[5a,6](C[5a,6]C[5a,6]S[6])(C[5a,6]N[5a]N[6])(S[6]C[6,6a])	C[5a,6](C[5a,6]C[5a,6]S[6])(C[5a,6]N[5a]N[6])(S[6]C[6,6a]){1|H<1>,1|N<2>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a,6]2){1|H<1>,1|N<2>,1|N<3>,1|S<2>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6]S[6])(C[5a,6]N[5a]N[6])(S[6]C[6,6a]){1|H<1>,1|N<2>,3|C<3>}	130.6810	0.303	2	130.6810	0.092	2	126.7108	21.082	4	126.7108	21.082	4	126.7108	21.082	4	124.3375	17.243	46
727	286	727	0:SP2_SP2_SP2	C[5a,6]	S[6]	C[5a,6]	3:3:2:	3:3:	3:3:2:	C[5a,6]-3:C[5a,6]-3:S[6]-2:	C[6,6a]-3:C[5a,6]-3:	C[5a,6]-3:C[5a,6]-3:S[6]-2:	C[5a,6](C[5a,6]C[5a,6]S[6])(C[5a,6]S[5a]C[6])(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a,6]2)	C[5a,6](C[5a,6]C[5a,6]S[6])(C[5a,6]S[5a]C[6])(S[6]C[6,6a])	C[5a,6](C[5a,6]C[5a,6]S[6])(C[5a,6]S[5a]C[6])(S[6]C[6,6a]){1|C<2>,4|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a,6]2){1|H<1>,2|S<2>,4|C<3>}	C[5a,6](C[5a,6]C[5a,6]S[6])(C[5a,6]S[5a]C[6])(S[6]C[6,6a]){1|C<2>,4|C<3>}	122.7405	0.320	2	122.7405	0.103	2	126.7108	21.082	4	126.7108	21.082	4	126.7108	21.082	4	124.3375	17.243	46
727	286	727	0:SP2_SP2_SP2	C[5a,6]	S[6]	C[5a,6a]	3:3:2:	3:2:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:S[6]-2:	C[5a,6]-3:S[6]-2:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]S[5a])(S[6]S[6])	S[6](C[5a,6]C[5a,6a]C[5a,6])(S[6]C[6,6a])	C[5a,6a](C[5a,6]C[5a,6]S[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]S[5a])(S[6]S[6]){1|H<1>,4|C<3>}	S[6](C[5a,6]C[5a,6a]C[5a,6])(S[6]C[6,6a]){1|S<2>,4|C<3>}	C[5a,6a](C[5a,6]C[5a,6]S[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|H<1>,1|O<2>,1|S<2>,2|C<3>}	124.7270	0.641	2	124.8067	0.152	4	124.8067	0.152	4	124.8067	0.152	4	122.9372	4.492	9	124.3375	17.243	46
727	286	727	0:SP2_SP2_SP2	C[5a,6]	S[6]	C[5a,6a]	3:3:2:	3:2:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:S[6]-2:	C[5a,6]-3:S[6]-2:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]S[5a])(S[6]S[6])	S[6](C[5a,6]C[5a,6a]C[5a,6])(S[6]C[6,6a])	C[5a,6a](C[5a,6]C[5a,6]S[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]S[5a])(S[6]S[6]){1|H<1>,4|C<3>}	S[6](C[5a,6]C[5a,6a]C[5a,6])(S[6]C[6,6a]){1|S<2>,4|C<3>}	C[5a,6a](C[5a,6]C[5a,6]S[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	124.8865	0.144	2	124.8067	0.152	4	124.8067	0.152	4	124.8067	0.152	4	122.9372	4.492	9	124.3375	17.243	46
727	286	727	0:SP2_SP2_SP2	C[5a,6]	S[6]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:S[6]-2:	C[5a,6]-3:C[5a,6]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]N[6])(S[6]C[5a,6])	S[6](C[5a,6]C[5a,6a]C[5a,6])(C[5a,6]C[5a,6]S[5a])	C[5a,6a](C[5a,6]C[5a,6]S[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]N[6])(S[6]C[5a,6]){1|H<1>,1|S<2>,4|C<3>}	S[6](C[5a,6]C[5a,6a]C[5a,6])(C[5a,6]C[5a,6]S[5a]){1|N<3>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,6]C[5a,6]S[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	121.5780	0.000	1	121.5780	0.000	1	121.5780	0.000	1	122.7685	2.835	2	122.9372	4.492	9	124.3375	17.243	46
727	286	727	0:SP2_SP2_SP2	C[5a,6]	S[6]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:S[6]-2:	C[5a,6]-3:C[6,6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(S[6]C[6,6a])	S[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])	C[5a,6a](C[5a,6]C[5a,6]S[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(S[6]C[6,6a]){2|H<1>,4|C<3>}	S[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a]){1|H<1>,1|S<2>,5|C<3>}	C[5a,6a](C[5a,6]C[5a,6]S[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	123.9590	0.000	1	123.9590	0.000	1	123.9590	0.000	1	122.7685	2.835	2	122.9372	4.492	9	124.3375	17.243	46
727	286	727	0:SP2_SP2_SP2	C[5a,6]	S[6]	C[5a,6a]	3:3:2:	3:4:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:S[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(S[6]C[6])	S[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)	C[5a,6a](C[5a,6]C[5a,6]S[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(S[6]C[6]){1|C<4>,2|C<3>,5|H<1>}	S[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]S[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H){1|C<3>,1|H<1>,1|S<2>,2|C<4>}	120.9630	0.000	1	120.9630	0.000	1	120.5570	0.808	3	120.5570	0.808	3	122.9372	4.492	9	124.3375	17.243	46
727	286	727	0:SP2_SP2_SP2	C[5a,6]	S[6]	C[5a,6a]	3:3:2:	3:4:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:S[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]S[6])(S[6]C[6])	S[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)	C[5a,6a](C[5a,6]C[5a,6]S[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]S[6])(S[6]C[6]){1|C<4>,2|C<3>,3|H<1>}	S[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH){2|C<3>,2|H<1>,2|S<2>}	C[5a,6a](C[5a,6]C[5a,6]S[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H){1|C<3>,1|C<4>,1|H<1>,2|S<2>}	120.3540	1.170	2	120.3540	1.368	2	120.5570	0.808	3	120.5570	0.808	3	122.9372	4.492	9	124.3375	17.243	46
727	286	727	0:SP2_SP2_SP2	C[5a,6]	S[6]	C[5a]	3:3:2:	3:2:	3:2:4:	C[5a,6]-3:C[5a]-3:S[6]-2:	C[5a,6]-3:S[6]-2:	C[5a,6]-3:N[5a]-2:C-4:	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]N[5a]C)(S[6]S[6])	S[6](C[5a,6]C[5a,6]C[5a])(S[6]C[6])	C[5a](C[5a,6]C[5a,6]S[6])(N[5a]N[5a])(CH3)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]N[5a]C)(S[6]S[6]){1|C<3>,1|C<4>}	S[6](C[5a,6]C[5a,6]C[5a])(S[6]C[6]){1|C<2>,1|C<4>,1|N<3>,2|N<2>}	C[5a](C[5a,6]C[5a,6]S[6])(N[5a]N[5a])(CH3){1|C<4>,1|N<2>,1|S<2>}	133.6310	0.000	1	133.6310	0.000	1	133.6310	0.000	1	133.6310	0.000	1	124.6164	20.724	30	124.3375	17.243	46
727	286	727	0:SP2_SP2_SP2	C[5a,6]	S[6]	C[5a]	3:3:2:	3:3:	3:2:1:	C[5a,6]-3:C[5a]-3:S[6]-2:	C[5a,6]-3:C[6,6a]-3:	C[5a,6]-3:S[5a]-2:H-1:	C[5a,6](C[5a,6]C[5a]S[6])(C[5a]S[5a]H)(S[6]C[6,6a])	S[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]N[6a])	C[5a](C[5a,6]C[5a,6]S[6])(S[5a]C[5a])(H)	C[5a,6](C[5a,6]C[5a]S[6])(C[5a]S[5a]H)(S[6]C[6,6a]){1|C<3>,1|H<1>,1|N<2>}	S[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]N[6a]){1|H<1>,1|N<2>,2|C<3>,2|S<2>}	C[5a](C[5a,6]C[5a,6]S[6])(S[5a]C[5a])(H){1|C<3>,1|H<1>,1|S<2>}	122.2947	1.938	6	122.2947	3.758	6	122.2947	3.758	6	122.3190	3.377	8	124.6164	20.724	30	124.3375	17.243	46
727	286	727	0:SP2_SP2_SP2	C[5a,6]	S[6]	C[5a]	3:3:2:	3:3:	3:2:1:	C[5a,6]-3:C[5a]-3:S[6]-2:	C[5a,6]-3:C[6]-3:	C[5a,6]-3:S[5a]-2:Br-1:	C[5a,6](C[5a,6]C[5a]S[6])(C[5a]S[5a]Br)(S[6]C[6])	S[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]C)	C[5a](C[5a,6]C[5a,6]S[6])(S[5a]C[5a])(Br)	C[5a,6](C[5a,6]C[5a]S[6])(C[5a]S[5a]Br)(S[6]C[6]){1|Br<1>,1|C<3>,1|C<4>}	S[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]C){1|Br<1>,1|C<3>,1|H<1>,2|S<2>}	C[5a](C[5a,6]C[5a,6]S[6])(S[5a]C[5a])(Br){1|Br<1>,1|C<3>,1|S<2>}	120.8370	0.000	1	120.8370	0.000	1	122.3920	4.836	2	122.3190	3.377	8	124.6164	20.724	30	124.3375	17.243	46
727	286	727	0:SP2_SP2_SP2	C[5a,6]	S[6]	C[5a]	3:3:2:	3:3:	3:2:1:	C[5a,6]-3:C[5a]-3:S[6]-2:	C[5a,6]-3:C[6]-3:	C[5a,6]-3:S[5a]-2:Br-1:	C[5a,6](C[5a,6]C[5a]S[6])(C[5a]S[5a]Br)(S[6]C[6])	S[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)	C[5a](C[5a,6]C[5a,6]S[6])(S[5a]C[5a])(Br)	C[5a,6](C[5a,6]C[5a]S[6])(C[5a]S[5a]Br)(S[6]C[6]){1|Br<1>,1|C<3>,1|H<1>}	S[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H){1|Br<1>,1|C<3>,1|C<4>,2|S<2>}	C[5a](C[5a,6]C[5a,6]S[6])(S[5a]C[5a])(Br){1|Br<1>,1|C<3>,1|S<2>}	123.9470	0.000	1	123.9470	0.000	1	122.3920	4.836	2	122.3190	3.377	8	124.6164	20.724	30	124.3375	17.243	46
727	286	727	0:SP2_SP2_SP2	C[5a,6]	S[6]	C[5a]	3:3:2:	3:3:	3:2:3:	N[5a,6]-3:C[5a]-3:S[6]-2:	C[5a,6]-3:C[6]-3:	C[5a,6]-3:N[5a]-2:C-3:	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[5a]N[5a]C)(S[6]C[6])	S[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6,6a]C)	C[5a](C[5a,6]N[5a,6]S[6])(N[5a]C[5a])(COO)	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[5a]N[5a]C)(S[6]C[6]){1|H<1>,3|C<3>}	S[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6,6a]C){1|N<2>,4|C<3>}	C[5a](C[5a,6]N[5a,6]S[6])(N[5a]C[5a])(COO){1|H<1>,2|C<3>}	131.1390	0.000	1	131.1390	0.000	1	131.1390	0.000	1	131.1390	0.000	1	124.6164	20.724	30	124.3375	17.243	46
727	286	727	0:SP2_SP2_SP2	C[5a,6]	S[6]	C[5a]	3:3:2:	3:3:	3:2:4:	C[5a,6]-3:C[5a]-3:S[6]-2:	C[5a,6]-3:C[5,6]-3:	C[5a,6]-3:S[5a]-2:C-4:	C[5a,6](C[5a,6]C[5a]S[6])(C[5a]S[5a]C)(S[6]C[5,6])	S[6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]S[5])	C[5a](C[5a,6]C[5a,6]S[6])(S[5a]C[5a])(CH3)	C[5a,6](C[5a,6]C[5a]S[6])(C[5a]S[5a]C)(S[6]C[5,6]){1|C<3>,1|C<4>,1|S<2>}	S[6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]S[5]){1|C<4>,2|C<3>,3|S<2>}	C[5a](C[5a,6]C[5a,6]S[6])(S[5a]C[5a])(CH3){1|C<3>,1|C<4>,1|S<2>}	123.7610	0.153	2	123.7610	0.023	2	123.7610	0.023	2	123.7610	0.023	2	124.6164	20.724	30	124.3375	17.243	46
727	286	727	0:SP2_SP2_SP2	C[5a,6]	S[6]	C[5a]	3:3:2:	3:4:	3:2:1:	C[5a,6]-3:C[5a]-3:S[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6]-3:S[5a]-2:Br-1:	C[5a,6](C[5a,6]C[5a]S[6])(C[5a]S[5a]Br)(S[6]C[6])	S[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)	C[5a](C[5a,6]C[5a,6]S[6])(S[5a]C[5a])(Br)	C[5a,6](C[5a,6]C[5a]S[6])(C[5a]S[5a]Br)(S[6]C[6]){1|Br<1>,1|C<4>,2|H<1>}	S[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH){1|Br<1>,1|C<3>,2|H<1>,2|S<2>}	C[5a](C[5a,6]C[5a,6]S[6])(S[5a]C[5a])(Br){1|Br<1>,1|C<4>,1|S<2>}	121.6415	0.561	2	121.6415	0.314	2	121.6415	0.314	2	121.1538	0.289	6	124.6164	20.724	30	124.3375	17.243	46
727	286	727	0:SP2_SP2_SP2	C[5a,6]	S[6]	C[5a]	3:3:2:	3:4:	3:2:1:	C[5a,6]-3:C[5a]-3:S[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6]-3:S[5a]-2:H-1:	C[5a,6](C[5a,6]C[5a]S[6])(C[5a]S[5a]H)(S[6]C[6])	S[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)	C[5a](C[5a,6]C[5a,6]S[6])(S[5a]C[5a])(H)	C[5a,6](C[5a,6]C[5a]S[6])(C[5a]S[5a]H)(S[6]C[6]){1|C<3>,1|C<4>,2|H<1>}	S[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH){1|C<3>,2|S<2>,3|H<1>}	C[5a](C[5a,6]C[5a,6]S[6])(S[5a]C[5a])(H){1|C<3>,1|C<4>,1|S<2>}	120.9100	0.372	4	120.9100	0.138	4	120.9100	0.138	4	121.1538	0.289	6	124.6164	20.724	30	124.3375	17.243	46
727	286	727	0:SP2_SP2_SP2	C[5a,6]	S[6]	C[5a]	3:3:2:	3:4:	3:2:3:	N[5a,6]-3:C[5a]-3:S[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6]-3:N[5a]-2:C-3:	C[5a,6](N[5a,6]N[5a]N[6])(C[5a]N[5a]C)(S[6]C[6])	S[6](C[5a,6]N[5a,6]C[5a])(C[6]C[5,6]CH)	C[5a](C[5a,6]N[5a,6]S[6])(N[5a]N[5a])(COO)	C[5a,6](N[5a,6]N[5a]N[6])(C[5a]N[5a]C)(S[6]C[6]){1|C<3>,1|C<4>,2|H<1>}	S[6](C[5a,6]N[5a,6]C[5a])(C[6]C[5,6]CH){1|C<3>,1|N<3>,2|C<4>,2|N<2>}	C[5a](C[5a,6]N[5a,6]S[6])(N[5a]N[5a])(COO){1|C<4>,1|N<3>}	131.7370	0.000	1	131.7370	0.000	1	131.6808	0.107	5	131.6808	0.107	5	124.6164	20.724	30	124.3375	17.243	46
727	286	727	0:SP2_SP2_SP2	C[5a,6]	S[6]	C[5a]	3:3:2:	3:4:	3:2:3:	N[5a,6]-3:C[5a]-3:S[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6]-3:N[5a]-2:C-3:	C[5a,6](N[5a,6]N[5a]N[6])(C[5a]N[5a]C)(S[6]C[6])	S[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6,6]CH)	C[5a](C[5a,6]N[5a,6]S[6])(N[5a]N[5a])(COO)	C[5a,6](N[5a,6]N[5a]N[6])(C[5a]N[5a]C)(S[6]C[6]){1|C<3>,1|C<4>,2|H<1>}	S[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6,6]CH){1|C<3>,1|N<3>,2|C<4>,2|N<2>}	C[5a](C[5a,6]N[5a,6]S[6])(N[5a]N[5a])(COO){1|C<4>,1|N<3>}	131.8345	0.552	2	131.8345	0.305	2	131.6808	0.107	5	131.6808	0.107	5	124.6164	20.724	30	124.3375	17.243	46
727	286	727	0:SP2_SP2_SP2	C[5a,6]	S[6]	C[5a]	3:3:2:	3:4:	3:2:3:	N[5a,6]-3:C[5a]-3:S[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6]-3:N[5a]-2:C-3:	C[5a,6](N[5a,6]N[5a]N[6])(C[5a]N[5a]C)(S[6]C[6])	S[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]CH)	C[5a](C[5a,6]N[5a,6]S[6])(N[5a]N[5a])(COO)	C[5a,6](N[5a,6]N[5a]N[6])(C[5a]N[5a]C)(S[6]C[6]){1|C<3>,1|C<4>,2|H<1>}	S[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]CH){1|C<3>,1|N<3>,2|C<4>,2|N<2>}	C[5a](C[5a,6]N[5a,6]S[6])(N[5a]N[5a])(COO){1|C<4>,1|N<3>}	131.4450	0.000	1	131.4990	0.006	2	131.6808	0.107	5	131.6808	0.107	5	124.6164	20.724	30	124.3375	17.243	46
727	286	727	0:SP2_SP2_SP2	C[5a,6]	S[6]	C[5a]	3:3:2:	3:4:	3:2:3:	N[5a,6]-3:C[5a]-3:S[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6]-3:N[5a]-2:C-3:	C[5a,6](N[5a,6]N[5a]N[6])(C[5a]N[5a]C)(S[6]C[6])	S[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]CH)	C[5a](C[5a,6]N[5a,6]S[6])(N[5a]N[5a])(COO)	C[5a,6](N[5a,6]N[5a]N[6])(C[5a]N[5a]C)(S[6]C[6]){1|C<3>,1|C<4>,2|H<1>}	S[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]CH){1|C<4>,1|N<3>,2|C<3>,2|N<2>}	C[5a](C[5a,6]N[5a,6]S[6])(N[5a]N[5a])(COO){1|C<4>,1|N<3>}	131.5530	0.000	1	131.4990	0.006	2	131.6808	0.107	5	131.6808	0.107	5	124.6164	20.724	30	124.3375	17.243	46
727	286	727	0:SP2_SP2_SP2	C[5a,6]	S[6]	C[5a]	3:3:2:	3:4:	3:3:2:	C[5a,6]-3:C[5a]-3:S[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6]-3:C[5a]-3:S[5a]-2:	C[5a,6](C[5a,6]C[5a]S[6])(C[5a]C[5a]S[5a])(S[6]C[6])	S[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)	C[5a](C[5a,6]C[5a,6]S[6])(C[5a]C[5a,6]S[5a])(S[5a]C[5a])	C[5a,6](C[5a,6]C[5a]S[6])(C[5a]C[5a]S[5a])(S[6]C[6]){1|C<3>,1|C<4>,1|S<2>,3|H<1>}	S[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH){2|C<3>,2|H<1>,2|S<2>}	C[5a](C[5a,6]C[5a,6]S[6])(C[5a]C[5a,6]S[5a])(S[5a]C[5a]){1|C<4>,1|H<1>,1|O<2>,1|S<2>,2|C<3>}	122.9880	0.873	2	122.0337	1.735	4	121.9268	1.071	6	123.1889	12.041	7	124.6164	20.724	30	124.3375	17.243	46
727	286	727	0:SP2_SP2_SP2	C[5a,6]	S[6]	C[5a]	3:3:2:	3:4:	3:3:2:	C[5a,6]-3:C[5a]-3:S[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6]-3:C[5a]-3:S[5a]-2:	C[5a,6](C[5a,6]C[5a]S[6])(C[5a]C[5a]S[5a])(S[6]C[6])	S[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)	C[5a](C[5a,6]C[5a,6]S[6])(C[5a]C[5a,6]S[5a])(S[5a]C[5a])	C[5a,6](C[5a,6]C[5a]S[6])(C[5a]C[5a]S[5a])(S[6]C[6]){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	S[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH){2|C<3>,2|H<1>,2|S<2>}	C[5a](C[5a,6]C[5a,6]S[6])(C[5a]C[5a,6]S[5a])(S[5a]C[5a]){1|C<4>,1|O<2>,1|S<2>,3|C<3>}	121.0795	0.896	2	122.0337	1.735	4	121.9268	1.071	6	123.1889	12.041	7	124.6164	20.724	30	124.3375	17.243	46
727	286	727	0:SP2_SP2_SP2	C[5a,6]	S[6]	C[5a]	3:3:2:	3:4:	3:3:2:	C[5a,6]-3:C[5a]-3:S[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6]-3:C[5a]-3:S[5a]-2:	C[5a,6](C[5a,6]C[5a]S[6])(C[5a]C[5a]S[5a])(S[6]C[6])	S[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)	C[5a](C[5a,6]C[5a,6]S[6])(C[5a]N[5a]S[5a])(S[5a]C[5a])	C[5a,6](C[5a,6]C[5a]S[6])(C[5a]C[5a]S[5a])(S[6]C[6]){1|C<4>,1|N<2>,1|S<2>,3|H<1>}	S[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH){2|C<3>,2|H<1>,2|S<2>}	C[5a](C[5a,6]C[5a,6]S[6])(C[5a]N[5a]S[5a])(S[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|S<2>}	121.7130	0.096	2	121.7130	0.009	2	121.9268	1.071	6	123.1889	12.041	7	124.6164	20.724	30	124.3375	17.243	46
727	286	727	0:SP2_SP2_SP2	C[5a,6]	S[6]	C[5a]	3:3:2:	3:4:	3:3:2:	N[5a,6]-3:C[5a]-3:S[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[6a]N[5a])(S[6]C[6])	S[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)	C[5a](C[5a,6]N[5a,6]S[6])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[6a]N[5a])(S[6]C[6]){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	S[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH){1|N<2>,2|H<1>,3|C<3>}	C[5a](C[5a,6]N[5a,6]S[6])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	130.7610	0.000	1	130.7610	0.000	1	130.7610	0.000	1	123.1889	12.041	7	124.6164	20.724	30	124.3375	17.243	46
727	286	727	6:SP2_SP2_SP2	C[5a,6]	S[6]	C[5a,6]	3:2:2:	3:2:	3:3:2:	C[5a,6]-3:S[5a]-2:S[6]-2:	C[5a,6]-3:S[6]-2:	C[6,6a]-3:C[5a,6]-3:N[5a]-2:	C[5a,6](C[5a,6]C[6,6a]N[5a])(S[5a]C[5a])(S[6]S[6])	S[6](C[5a,6]C[5a,6]S[5a])(S[6]C[6,6a])	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]S[5a]S[6])(N[5a]C[5a])	C[5a,6](C[5a,6]C[6,6a]N[5a])(S[5a]C[5a])(S[6]S[6]){3|C<3>}	S[6](C[5a,6]C[5a,6]S[5a])(S[6]C[6,6a]){1|N<2>,3|C<3>}	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]S[5a]S[6])(N[5a]C[5a]){1|H<1>,1|S<2>,3|C<3>}	124.6950	0.000	1	124.6950	0.000	1	124.6950	0.000	1	124.6950	0.000	1	125.9660	8.179	71	125.9660	8.179	71
727	286	727	6:SP2_SP2_SP2	C[5a,6]	S[6]	C[5a,6]	3:2:2:	3:3:	3:2:2:	C[5a,6]-3:S[5a]-2:S[6]-2:	C[5a,6]-3:C[6]-3:	C[5a,6]-3:S[5a]-2:S[6]-2:	C[5a,6](C[5a,6]S[5a]S[6])(S[5a]C[5a])(S[6]C[6])	S[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6a]C[6])	C[5a,6](C[5a,6]S[5a]S[6])(S[5a]C[5a])(S[6]C[6])	C[5a,6](C[5a,6]S[5a]S[6])(S[5a]C[5a])(S[6]C[6]){1|O<1>,2|C<3>}	S[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6a]C[6]){2|S<2>,4|C<3>}	C[5a,6](C[5a,6]S[5a]S[6])(S[5a]C[5a])(S[6]C[6]){1|O<1>,2|C<3>}	121.9585	0.432	2	121.9585	0.187	2	121.9585	0.187	2	121.9585	0.187	2	125.9660	8.179	71	125.9660	8.179	71
727	286	727	6:SP2_SP2_SP2	C[5a,6]	S[6]	C[5a,6]	3:2:2:	3:3:	3:3:3:	C[5a,6]-3:S[5a]-2:S[6]-2:	C[5a,6]-3:C[5a,6]-3:	C[5a,6a]-3:C[5a,6]-3:N[6]-3:	C[5a,6](C[5a,6]C[5a,6a]N[6])(S[5a]C[5a,6a])(S[6]C[5a,6])	S[6](C[5a,6]C[5a,6]S[5a])2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]S[6])(N[6]C[5a,6]C[6a])	C[5a,6](C[5a,6]C[5a,6a]N[6])(S[5a]C[5a,6a])(S[6]C[5a,6]){1|S<2>,4|C<3>}	S[6](C[5a,6]C[5a,6]S[5a])2{1|N<3>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]S[6])(N[6]C[5a,6]C[6a]){1|H<1>,6|C<3>}	124.3235	0.117	2	124.3235	0.014	2	125.5010	4.166	3	124.9727	1.729	9	125.9660	8.179	71	125.9660	8.179	71
727	286	727	6:SP2_SP2_SP2	C[5a,6]	S[6]	C[5a,6]	3:2:2:	3:3:	3:3:3:	C[5a,6]-3:S[5a]-2:S[6]-2:	C[5a,6]-3:C[5a,6]-3:	C[5a,6a]-3:C[5a,6]-3:N[6]-3:	C[5a,6](C[5a,6]C[5a,6a]N[6])(S[5a]C[5a,6a])(S[6]C[5a,6])	S[6](C[5a,6]C[5a,6a]C[5a,6])(C[5a,6]C[5a,6]S[5a])	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]S[6])(N[6]C[5a,6]C[6a])	C[5a,6](C[5a,6]C[5a,6a]N[6])(S[5a]C[5a,6a])(S[6]C[5a,6]){5|C<3>}	S[6](C[5a,6]C[5a,6a]C[5a,6])(C[5a,6]C[5a,6]S[5a]){1|N<3>,1|S<2>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]S[6])(N[6]C[5a,6]C[6a]){1|H<1>,1|S<2>,5|C<3>}	127.8560	0.000	1	127.8560	0.000	1	125.5010	4.166	3	124.9727	1.729	9	125.9660	8.179	71	125.9660	8.179	71
727	286	727	6:SP2_SP2_SP2	C[5a,6]	S[6]	C[5a,6]	3:2:2:	3:3:	3:3:3:	C[5a,6]-3:S[6]-2:S[5a]-2:	C[5a,6]-3:C[5a,6]-3:	C[5a,6]-3:N[6]-3:C[5a]-3:	C[5a,6](C[5a,6]C[5a]N[6])(S[6]C[5a,6])(S[5a]C[5a])	S[6](C[5a,6]C[5a,6]S[5a])2	C[5a,6](C[5a,6]S[5a]S[6])(N[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[5a,6](C[5a,6]C[5a]N[6])(S[6]C[5a,6])(S[5a]C[5a]){1|S<2>,2|C<3>,2|H<1>}	S[6](C[5a,6]C[5a,6]S[5a])2{1|N<3>,4|C<3>}	C[5a,6](C[5a,6]S[5a]S[6])(N[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,4|C<3>}	124.7085	0.921	6	124.7085	0.849	6	124.7085	0.849	6	124.9727	1.729	9	125.9660	8.179	71	125.9660	8.179	71
727	286	727	6:SP2_SP2_SP2	C[5a,6]	S[6]	C[5a,6]	3:2:2:	3:4:	3:3:2:	C[5a,6]-3:S[5a]-2:S[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:S[6]-2:	C[5a,6](C[5a,6]C[5a,6a]S[6])(S[5a]C[5a,6a])(S[6]C[6])	S[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6]HH)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]S[6])(S[6]C[6])	C[5a,6](C[5a,6]C[5a,6a]S[6])(S[5a]C[5a,6a])(S[6]C[6]){1|C<4>,2|C<3>,2|H<1>}	S[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6]HH){1|S<2>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]S[6])(S[6]C[6]){1|C<4>,2|C<3>,3|H<1>}	129.5505	0.281	2	129.5505	0.079	2	129.5505	0.079	2	129.5505	0.079	2	125.9660	8.179	71	125.9660	8.179	71
727	286	727	6:SP2_SP2_SP2	C[5a,6]	S[6]	C[5a,6]	3:2:2:	3:4:	3:3:4:	C[5a,6]-3:S[5a]-2:S[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6](C[5a,6]C[5a,6a]C[6])(S[5a]C[5a,6a])(S[6]C[6])	S[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6]HH)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]S[6])(C[6]C[6]HH)	C[5a,6](C[5a,6]C[5a,6a]C[6])(S[5a]C[5a,6a])(S[6]C[6]){1|C<4>,2|C<3>,4|H<1>}	S[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6]HH){1|C<4>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]S[6])(C[6]C[6]HH){1|C<4>,2|C<3>,3|H<1>}	128.0020	0.000	1	128.0020	0.000	1	128.0020	0.000	1	128.0020	0.000	1	125.9660	8.179	71	125.9660	8.179	71
727	286	727	6:SP2_SP2_SP2	C[5a,6]	S[6]	C[5a,6]	3:3:2:	3:2:	3:3:2:	C[5a,6]-3:C[5a]-3:S[6]-2:	C[5a,6]-3:S[6]-2:	C[5a,6]-3:N[5a]-3:N[6]-2:	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]N[5a]C)(S[6]S[6])	S[6](C[5a,6]C[5a,6]C[5a])(S[6]C[6])	C[5a,6](C[5a,6]C[5a]S[6])(N[5a]N[5a]C)(N[6]C[6])	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]N[5a]C)(S[6]S[6]){1|C<3>,1|C<4>}	S[6](C[5a,6]C[5a,6]C[5a])(S[6]C[6]){1|C<2>,1|C<4>,1|N<3>,2|N<2>}	C[5a,6](C[5a,6]C[5a]S[6])(N[5a]N[5a]C)(N[6]C[6]){1|C<2>,1|C<4>,1|S<2>}	120.3230	0.000	1	120.3230	0.000	1	120.3230	0.000	1	121.0414	0.519	5	125.9660	8.179	71	125.9660	8.179	71
727	286	727	6:SP2_SP2_SP2	C[5a,6]	S[6]	C[5a,6]	3:3:2:	3:2:	3:3:2:	C[5a,6a]-3:C[5a,6]-3:S[6]-2:	C[5a,6]-3:S[6]-2:	C[5a,6]-3:C[6,6a]-3:S[5a]-2:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]S[5a])(S[6]S[6])	S[6](C[5a,6]C[5a,6a]C[5a,6])(S[6]C[6,6a])	C[5a,6](C[5a,6]C[5a,6a]S[6])(C[6,6a]C[6,6a]C[6a])(S[5a]C[5a,6a])	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]S[5a])(S[6]S[6]){1|H<1>,4|C<3>}	S[6](C[5a,6]C[5a,6a]C[5a,6])(S[6]C[6,6a]){1|S<2>,4|C<3>}	C[5a,6](C[5a,6]C[5a,6a]S[6])(C[6,6a]C[6,6a]C[6a])(S[5a]C[5a,6a]){1|H<1>,1|S<2>,4|C<3>}	121.2210	0.691	4	121.2210	0.478	4	121.2210	0.478	4	121.0414	0.519	5	125.9660	8.179	71	125.9660	8.179	71
727	286	727	6:SP2_SP2_SP2	C[5a,6]	S[6]	C[5a,6]	3:3:2:	3:3:	3:2:3:	C[5a,6a]-3:C[5a,6]-3:S[6]-2:	C[5a,6]-3:C[6,6a]-3:	C[5a,6]-3:S[5a]-2:C[6]-3:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(S[6]C[6,6a])	S[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])	C[5a,6](C[5a,6]C[5a,6a]S[6])(S[5a]C[5a,6a])(C[6]C[6,6a]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(S[6]C[6,6a]){2|H<1>,4|C<3>}	S[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a]){1|H<1>,1|S<2>,5|C<3>}	C[5a,6](C[5a,6]C[5a,6a]S[6])(S[5a]C[5a,6a])(C[6]C[6,6a]H){4|C<3>}	122.3370	0.000	1	122.3370	0.000	1	122.3370	0.000	1	122.3370	0.000	1	125.9660	8.179	71	125.9660	8.179	71
727	286	727	6:SP2_SP2_SP2	C[5a,6]	S[6]	C[5a,6]	3:3:2:	3:3:	3:3:2:	C[5a,6]-3:C[5a,6]-3:S[6]-2:	C[6,6a]-3:C[5a,6]-3:	C[5a,6]-3:C[6]-3:S[5a]-2:	C[5a,6](C[5a,6]C[5a,6]S[6])(C[5a,6]S[5a]C[6])(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a,6]2)	C[5a,6](C[5a,6]C[5a,6]S[6])(C[6]C[6,6a]C)(S[5a]C[5a,6])	C[5a,6](C[5a,6]C[5a,6]S[6])(C[5a,6]S[5a]C[6])(S[6]C[6,6a]){1|C<2>,4|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a,6]2){1|H<1>,2|S<2>,4|C<3>}	C[5a,6](C[5a,6]C[5a,6]S[6])(C[6]C[6,6a]C)(S[5a]C[5a,6]){1|S<2>,3|C<3>}	123.1775	0.108	2	123.1775	0.012	2	123.1775	0.012	2	124.3944	5.465	15	125.9660	8.179	71	125.9660	8.179	71
727	286	727	6:SP2_SP2_SP2	C[5a,6]	S[6]	C[5a,6]	3:3:2:	3:3:	3:3:2:	C[5a,6]-3:C[5a,6]-3:S[6]-2:	C[6,6a]-3:C[5a,6]-3:	C[5a,6]-3:N[5a]-3:N[6]-2:	C[5a,6](C[5a,6]C[5a,6]S[6])(C[5a,6]N[5a]N[6])(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a,6]2)	C[5a,6](C[5a,6]C[5a,6]S[6])(N[5a]C[5a,6]H)(N[6]C[6,6a])	C[5a,6](C[5a,6]C[5a,6]S[6])(C[5a,6]N[5a]N[6])(S[6]C[6,6a]){1|H<1>,1|N<2>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a,6]2){1|H<1>,1|N<2>,1|N<3>,1|S<2>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6]S[6])(N[5a]C[5a,6]H)(N[6]C[6,6a]){1|N<2>,1|S<2>,2|C<3>}	121.4320	0.122	2	121.4320	0.015	2	121.4320	0.015	2	124.3944	5.465	15	125.9660	8.179	71	125.9660	8.179	71
727	286	727	6:SP2_SP2_SP2	C[5a,6]	S[6]	C[5a,6]	3:3:2:	3:3:	3:3:2:	C[5a,6]-3:C[5a]-3:S[6]-2:	C[5a,6]-3:C[5,6]-3:	C[5a,6]-3:C[5a]-3:S[6]-2:	C[5a,6](C[5a,6]C[5a]S[6])(C[5a]S[5a]C)(S[6]C[5,6])	S[6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]S[5])	C[5a,6](C[5a,6]C[5a]S[6])(C[5a]S[5a]C)(S[6]C[5,6])	C[5a,6](C[5a,6]C[5a]S[6])(C[5a]S[5a]C)(S[6]C[5,6]){1|C<3>,1|C<4>,1|S<2>}	S[6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]S[5]){1|C<4>,2|C<3>,3|S<2>}	C[5a,6](C[5a,6]C[5a]S[6])(C[5a]S[5a]C)(S[6]C[5,6]){1|C<3>,1|C<4>,1|S<2>}	122.6720	0.491	2	122.6720	0.241	2	122.6720	0.241	2	124.3944	5.465	15	125.9660	8.179	71	125.9660	8.179	71
727	286	727	6:SP2_SP2_SP2	C[5a,6]	S[6]	C[5a,6]	3:3:2:	3:3:	3:3:2:	C[5a,6]-3:C[5a]-3:S[6]-2:	C[5a,6]-3:C[6,6a]-3:	C[5a,6]-3:C[5a]-3:S[6]-2:	C[5a,6](C[5a,6]C[5a]S[6])(C[5a]S[5a]H)(S[6]C[6,6a])	S[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]N[6a])	C[5a,6](C[5a,6]C[5a]S[6])(C[5a]S[5a]H)(S[6]C[6,6a])	C[5a,6](C[5a,6]C[5a]S[6])(C[5a]S[5a]H)(S[6]C[6,6a]){1|C<3>,1|H<1>,1|N<2>}	S[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]N[6a]){1|H<1>,1|N<2>,2|C<3>,2|S<2>}	C[5a,6](C[5a,6]C[5a]S[6])(C[5a]S[5a]H)(S[6]C[6,6a]){1|C<3>,1|H<1>,1|N<2>}	125.6563	2.480	6	125.6563	6.152	6	125.6563	6.152	6	124.3944	5.465	15	125.9660	8.179	71	125.9660	8.179	71
727	286	727	6:SP2_SP2_SP2	C[5a,6]	S[6]	C[5a,6]	3:3:2:	3:3:	3:3:2:	C[5a,6]-3:C[5a]-3:S[6]-2:	C[5a,6]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:S[6]-2:	C[5a,6](C[5a,6]C[5a]S[6])(C[5a]S[5a]Br)(S[6]C[6])	S[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]C)	C[5a,6](C[5a,6]C[5a]S[6])(C[5a]S[5a]Br)(S[6]C[6])	C[5a,6](C[5a,6]C[5a]S[6])(C[5a]S[5a]Br)(S[6]C[6]){1|Br<1>,1|C<3>,1|C<4>}	S[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]C){1|Br<1>,1|C<3>,1|H<1>,2|S<2>}	C[5a,6](C[5a,6]C[5a]S[6])(C[5a]S[5a]Br)(S[6]C[6]){1|Br<1>,1|C<3>,1|H<1>}	126.6150	0.000	1	126.6150	0.000	1	126.5705	0.004	2	124.3944	5.465	15	125.9660	8.179	71	125.9660	8.179	71
727	286	727	6:SP2_SP2_SP2	C[5a,6]	S[6]	C[5a,6]	3:3:2:	3:3:	3:3:2:	C[5a,6]-3:C[5a]-3:S[6]-2:	C[5a,6]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:S[6]-2:	C[5a,6](C[5a,6]C[5a]S[6])(C[5a]S[5a]Br)(S[6]C[6])	S[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)	C[5a,6](C[5a,6]C[5a]S[6])(C[5a]S[5a]Br)(S[6]C[6])	C[5a,6](C[5a,6]C[5a]S[6])(C[5a]S[5a]Br)(S[6]C[6]){1|Br<1>,1|C<3>,1|H<1>}	S[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H){1|Br<1>,1|C<3>,1|C<4>,2|S<2>}	C[5a,6](C[5a,6]C[5a]S[6])(C[5a]S[5a]Br)(S[6]C[6]){1|Br<1>,1|C<3>,1|C<4>}	126.5260	0.000	1	126.5260	0.000	1	126.5705	0.004	2	124.3944	5.465	15	125.9660	8.179	71	125.9660	8.179	71
727	286	727	6:SP2_SP2_SP2	C[5a,6]	S[6]	C[5a,6]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[5a,6]-3:S[6]-2:	C[5a,6]-3:C[5a,6]-3:	C[5a,6]-3:N[6]-3:S[5a]-2:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]N[6])(S[6]C[5a,6])	S[6](C[5a,6]C[5a,6a]C[5a,6])(C[5a,6]C[5a,6]S[5a])	C[5a,6](C[5a,6]C[5a,6a]S[6])(N[6]C[5a,6]C[6a])(S[5a]C[5a,6a])	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]N[6])(S[6]C[5a,6]){1|H<1>,1|S<2>,4|C<3>}	S[6](C[5a,6]C[5a,6a]C[5a,6])(C[5a,6]C[5a,6]S[5a]){1|N<3>,1|S<2>,4|C<3>}	C[5a,6](C[5a,6]C[5a,6a]S[6])(N[6]C[5a,6]C[6a])(S[5a]C[5a,6a]){6|C<3>}	124.2740	0.000	1	124.2740	0.000	1	124.2740	0.000	1	124.3944	5.465	15	125.9660	8.179	71	125.9660	8.179	71
727	286	727	6:SP2_SP2_SP2	C[5a,6]	S[6]	C[5a,6]	3:3:2:	3:3:	3:3:4:	C[5a,6]-3:N[5a]-3:S[6]-2:	C[5a,6]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(S[6]C[6])	S[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]O)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]S[6])(C[6]C[6a]C[6]H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(S[6]C[6]){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	S[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]O){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]S[6])(C[6]C[6a]C[6]H){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	128.5000	0.000	1	128.5000	0.000	1	132.1060	26.006	2	132.1060	26.006	2	125.9660	8.179	71	125.9660	8.179	71
727	286	727	6:SP2_SP2_SP2	C[5a,6]	S[6]	C[5a,6]	3:3:2:	3:3:	3:3:4:	C[5a,6]-3:N[5a]-3:S[6]-2:	C[5a,6]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C[6a])(S[6]C[6])	S[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]S[6])(C[6]C[6]CC)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C[6a])(S[6]C[6]){1|C<4>,1|H<1>,6|C<3>}	S[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]S[6])(C[6]C[6]CC){2|H<1>,4|C<3>}	135.7120	0.000	1	135.7120	0.000	1	132.1060	26.006	2	132.1060	26.006	2	125.9660	8.179	71	125.9660	8.179	71
727	286	727	6:SP2_SP2_SP2	C[5a,6]	S[6]	C[5a,6]	3:3:2:	3:3:	3:4:2:	C[5a,6]-3:C[5a,5a]-3:S[6]-2:	C[5a,6]-3:C[5a,6]-3:	C[5a,6]-3:Si[6,6]-4:S[5a]-2:	C[5a,6](C[5a,6]Si[6,6]S[5a])(C[5a,5a]C[5a,5a]2)(S[6]C[5a,6])	S[6](C[5a,6]C[5a,5a]C[5a,6])2	C[5a,6](C[5a,6]C[5a,5a]S[6])(Si[6,6]C[5a,6]3)(S[5a]C[5a,5a])	C[5a,6](C[5a,6]Si[6,6]S[5a])(C[5a,5a]C[5a,5a]2)(S[6]C[5a,6]){1|S<2>,6|C<3>}	S[6](C[5a,6]C[5a,5a]C[5a,6])2{1|Si<4>,2|S<2>,4|C<3>}	C[5a,6](C[5a,6]C[5a,5a]S[6])(Si[6,6]C[5a,6]3)(S[5a]C[5a,5a]){4|C<3>,4|S<2>}	128.1920	0.000	1	128.1920	0.000	1	128.1920	0.000	1	128.1920	0.000	1	125.9660	8.179	71	125.9660	8.179	71
727	286	727	6:SP2_SP2_SP2	C[5a,6]	S[6]	C[5a,6]	3:3:2:	3:4:	3:2:2:	C[5a,6a]-3:C[5a,6]-3:S[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6]-3:S[5a]-2:S[6]-2:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]S[6])(S[6]C[6])	S[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)	C[5a,6](C[5a,6]C[5a,6a]S[6])(S[5a]C[5a,6a])(S[6]C[6])	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]S[6])(S[6]C[6]){1|C<4>,2|C<3>,3|H<1>}	S[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH){2|C<3>,2|H<1>,2|S<2>}	C[5a,6](C[5a,6]C[5a,6a]S[6])(S[5a]C[5a,6a])(S[6]C[6]){1|C<4>,2|C<3>,2|H<1>}	127.0450	1.027	2	127.0450	1.054	2	127.0450	1.054	2	127.0450	1.054	2	125.9660	8.179	71	125.9660	8.179	71
727	286	727	6:SP2_SP2_SP2	C[5a,6]	S[6]	C[5a,6]	3:3:2:	3:4:	3:2:4:	C[5a,6a]-3:C[5a,6]-3:S[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6]-3:S[5a]-2:C[6]-4:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(S[6]C[6])	S[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)	C[5a,6](C[5a,6]C[5a,6a]S[6])(S[5a]C[5a,6a])(C[6]C[6]HH)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(S[6]C[6]){1|C<4>,2|C<3>,5|H<1>}	S[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a,6a]S[6])(S[5a]C[5a,6a])(C[6]C[6]HH){1|C<4>,2|C<3>,2|H<1>}	125.4200	0.000	1	125.4200	0.000	1	125.4200	0.000	1	125.4200	0.000	1	125.9660	8.179	71	125.9660	8.179	71
727	286	727	6:SP2_SP2_SP2	C[5a,6]	S[6]	C[5a,6]	3:3:2:	3:4:	3:3:2:	C[5a,6]-3:C[5a]-3:S[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6]-3:C[5a]-3:S[6]-2:	C[5a,6](C[5a,6]C[5a]S[6])(C[5a]C[5a]S[5a])(S[6]C[6])	S[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)	C[5a,6](C[5a,6]C[5a]S[6])(C[5a]C[5a]S[5a])(S[6]C[6])	C[5a,6](C[5a,6]C[5a]S[6])(C[5a]C[5a]S[5a])(S[6]C[6]){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	S[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH){2|C<3>,2|H<1>,2|S<2>}	C[5a,6](C[5a,6]C[5a]S[6])(C[5a]C[5a]S[5a])(S[6]C[6]){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	126.0185	1.336	2	126.0185	1.784	2	126.2971	0.898	11	126.2971	0.898	11	125.9660	8.179	71	125.9660	8.179	71
727	286	727	6:SP2_SP2_SP2	C[5a,6]	S[6]	C[5a,6]	3:3:2:	3:4:	3:3:2:	C[5a,6]-3:C[5a]-3:S[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6]-3:C[5a]-3:S[6]-2:	C[5a,6](C[5a,6]C[5a]S[6])(C[5a]C[5a]S[5a])(S[6]C[6])	S[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)	C[5a,6](C[5a,6]C[5a]S[6])(C[5a]S[5a]H)(S[6]C[6])	C[5a,6](C[5a,6]C[5a]S[6])(C[5a]C[5a]S[5a])(S[6]C[6]){1|C<3>,1|C<4>,1|S<2>,3|H<1>}	S[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH){2|C<3>,2|H<1>,2|S<2>}	C[5a,6](C[5a,6]C[5a]S[6])(C[5a]S[5a]H)(S[6]C[6]){1|C<3>,1|C<4>,2|H<1>}	125.2650	1.327	2	125.8392	1.073	4	126.2971	0.898	11	126.2971	0.898	11	125.9660	8.179	71	125.9660	8.179	71
727	286	727	6:SP2_SP2_SP2	C[5a,6]	S[6]	C[5a,6]	3:3:2:	3:4:	3:3:2:	C[5a,6]-3:C[5a]-3:S[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6]-3:C[5a]-3:S[6]-2:	C[5a,6](C[5a,6]C[5a]S[6])(C[5a]C[5a]S[5a])(S[6]C[6])	S[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)	C[5a,6](C[5a,6]C[5a]S[6])(C[5a]S[5a]H)(S[6]C[6])	C[5a,6](C[5a,6]C[5a]S[6])(C[5a]C[5a]S[5a])(S[6]C[6]){1|C<4>,1|N<2>,1|S<2>,3|H<1>}	S[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH){2|C<3>,2|H<1>,2|S<2>}	C[5a,6](C[5a,6]C[5a]S[6])(C[5a]S[5a]H)(S[6]C[6]){1|C<3>,1|C<4>,2|H<1>}	126.4135	0.374	2	125.8392	1.073	4	126.2971	0.898	11	126.2971	0.898	11	125.9660	8.179	71	125.9660	8.179	71
727	286	727	6:SP2_SP2_SP2	C[5a,6]	S[6]	C[5a,6]	3:3:2:	3:4:	3:3:2:	C[5a,6]-3:C[5a]-3:S[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6]-3:C[5a]-3:S[6]-2:	C[5a,6](C[5a,6]C[5a]S[6])(C[5a]S[5a]Br)(S[6]C[6])	S[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)	C[5a,6](C[5a,6]C[5a]S[6])(C[5a]S[5a]Br)(S[6]C[6])	C[5a,6](C[5a,6]C[5a]S[6])(C[5a]S[5a]Br)(S[6]C[6]){1|Br<1>,1|C<4>,2|H<1>}	S[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH){1|Br<1>,1|C<3>,2|H<1>,2|S<2>}	C[5a,6](C[5a,6]C[5a]S[6])(C[5a]S[5a]Br)(S[6]C[6]){1|Br<1>,1|C<4>,2|H<1>}	127.0660	0.000	1	127.0660	0.000	1	126.2971	0.898	11	126.2971	0.898	11	125.9660	8.179	71	125.9660	8.179	71
727	286	727	6:SP2_SP2_SP2	C[5a,6]	S[6]	C[5a,6]	3:3:2:	3:4:	3:3:2:	C[5a,6]-3:C[5a]-3:S[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6]-3:C[5a]-3:S[6]-2:	C[5a,6](C[5a,6]C[5a]S[6])(C[5a]S[5a]H)(S[6]C[6])	S[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)	C[5a,6](C[5a,6]C[5a]S[6])(C[5a]C[5a]S[5a])(S[6]C[6])	C[5a,6](C[5a,6]C[5a]S[6])(C[5a]S[5a]H)(S[6]C[6]){1|C<3>,1|C<4>,2|H<1>}	S[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH){1|C<3>,2|S<2>,3|H<1>}	C[5a,6](C[5a,6]C[5a]S[6])(C[5a]C[5a]S[5a])(S[6]C[6]){1|C<3>,1|C<4>,1|S<2>,3|H<1>}	126.6355	1.232	2	126.7020	0.580	4	126.2971	0.898	11	126.2971	0.898	11	125.9660	8.179	71	125.9660	8.179	71
727	286	727	6:SP2_SP2_SP2	C[5a,6]	S[6]	C[5a,6]	3:3:2:	3:4:	3:3:2:	C[5a,6]-3:C[5a]-3:S[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6]-3:C[5a]-3:S[6]-2:	C[5a,6](C[5a,6]C[5a]S[6])(C[5a]S[5a]H)(S[6]C[6])	S[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)	C[5a,6](C[5a,6]C[5a]S[6])(C[5a]C[5a]S[5a])(S[6]C[6])	C[5a,6](C[5a,6]C[5a]S[6])(C[5a]S[5a]H)(S[6]C[6]){1|C<3>,1|C<4>,2|H<1>}	S[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH){1|C<3>,2|S<2>,3|H<1>}	C[5a,6](C[5a,6]C[5a]S[6])(C[5a]C[5a]S[5a])(S[6]C[6]){1|C<4>,1|N<2>,1|S<2>,3|H<1>}	126.7685	0.452	2	126.7020	0.580	4	126.2971	0.898	11	126.2971	0.898	11	125.9660	8.179	71	125.9660	8.179	71
727	286	727	6:SP2_SP2_SP2	C[5a,6]	S[6]	C[5a,6]	3:3:2:	3:4:	3:3:3:	C[5a,5a]-3:C[5a,6]-3:S[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6](C[5a,5a]C[5a,5a]S[5a])(C[5a,6]N[5a]C[6])(S[6]C[6])	S[6](C[5a,6]C[5a,5a]C[5a,6])(C[6]C[6a]S[6]O)	C[5a,6](C[5a,6]C[5a,5a]S[6])(N[5a]C[5a,5a]C)(C[6]S[6]S)	C[5a,6](C[5a,5a]C[5a,5a]S[5a])(C[5a,6]N[5a]C[6])(S[6]C[6]){1|C<4>,1|O<2>,1|S<1>,2|C<3>,2|S<2>}	S[6](C[5a,6]C[5a,5a]C[5a,6])(C[6]C[6a]S[6]O){1|N<3>,1|S<2>,4|C<3>}	C[5a,6](C[5a,6]C[5a,5a]S[6])(N[5a]C[5a,5a]C)(C[6]S[6]S){1|C<3>,1|C<4>,1|S<2>}	128.8990	0.171	2	128.8990	0.029	2	128.8990	0.029	2	127.7980	3.651	3	125.9660	8.179	71	125.9660	8.179	71
727	286	727	6:SP2_SP2_SP2	C[5a,6]	S[6]	C[5a,6]	3:3:2:	3:4:	3:3:3:	C[5a,6]-3:N[5a]-3:S[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(S[6]C[6])	S[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]S[6])(C[6]C[6]C)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(S[6]C[6]){1|C<4>,1|H<1>,4|C<3>}	S[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6]H){1|C<4>,6|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]S[6])(C[6]C[6]C){1|H<1>,2|C<4>,3|C<3>}	125.5960	0.000	1	125.5960	0.000	1	125.5960	0.000	1	127.7980	3.651	3	125.9660	8.179	71	125.9660	8.179	71
727	286	727	6:SP2_SP2_SP2	C[5a,6]	S[6]	C[5a,6]	3:3:2:	3:4:	3:3:4:	C[5a,6]-3:N[5a]-3:S[6]-2:	C[5a,6]-3:C[6,6]-4:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(S[6]C[6,6])	S[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6]3)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]S[6])(C[6]C[6a]C[6]H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(S[6]C[6,6]){1|H<1>,3|C<3>,3|C<4>}	S[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6]3){2|C<4>,4|C<3>,6|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]S[6])(C[6]C[6a]C[6]H){1|C<4>,3|H<1>,5|C<3>}	129.1975	0.698	4	129.1975	0.487	4	128.9958	0.417	6	128.7800	0.674	7	125.9660	8.179	71	125.9660	8.179	71
727	286	727	6:SP2_SP2_SP2	C[5a,6]	S[6]	C[5a,6]	3:3:2:	3:4:	3:3:4:	C[5a,6]-3:N[5a]-3:S[6]-2:	C[5a,6]-3:C[6,6]-4:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(S[6]C[6,6])	S[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6]3)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]S[6])(C[6]C[6]CH)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(S[6]C[6,6]){1|H<1>,3|C<3>,3|C<4>}	S[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6]3){2|C<4>,3|C<3>,7|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]S[6])(C[6]C[6]CH){1|C<4>,2|C<3>,4|H<1>}	128.5925	0.371	2	128.5925	0.138	2	128.9958	0.417	6	128.7800	0.674	7	125.9660	8.179	71	125.9660	8.179	71
727	286	727	6:SP2_SP2_SP2	C[5a,6]	S[6]	C[5a,6]	3:3:2:	3:4:	3:3:4:	C[5a,6]-3:N[5a]-3:S[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(S[6]C[6])	S[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]S[6])(C[6]C[6a]C[6]H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(S[6]C[6]){1|C<4>,3|C<3>,3|H<1>}	S[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]S[6])(C[6]C[6a]C[6]H){1|N<3>,2|C<4>,2|H<1>,4|C<3>}	127.4850	0.000	1	127.4850	0.000	1	127.4850	0.000	1	128.7800	0.674	7	125.9660	8.179	71	125.9660	8.179	71
727	286	727	6:SP2_SP2_SP2	C[5a,6]	S[6]	C[5a,6]	3:3:2:	3:4:	3:4:2:	C[5a,6]-3:N[5a]-3:S[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6]-3:C[6]-4:S[5a]-2:	C[5a,6](C[5a,6]S[5a]C[6])(N[5a]C[5a]H)(S[6]C[6])	S[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)	C[5a,6](C[5a,6]N[5a]S[6])(C[6]C[6a]C[6]H)(S[5a]C[5a])	C[5a,6](C[5a,6]S[5a]C[6])(N[5a]C[5a]H)(S[6]C[6]){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	S[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH){1|H<1>,1|S<2>,2|C<3>,2|C<4>}	C[5a,6](C[5a,6]N[5a]S[6])(C[6]C[6a]C[6]H)(S[5a]C[5a]){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	126.9050	0.000	1	126.9050	0.000	1	126.8357	0.025	3	126.8357	0.025	3	125.9660	8.179	71	125.9660	8.179	71
727	286	727	6:SP2_SP2_SP2	C[5a,6]	S[6]	C[5a,6]	3:3:2:	3:4:	3:4:2:	C[5a,6]-3:N[5a]-3:S[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6]-3:C[6]-4:S[5a]-2:	C[5a,6](C[5a,6]S[5a]C[6])(N[5a]C[5a]H)(S[6]C[6])	S[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HO)	C[5a,6](C[5a,6]N[5a]S[6])(C[6]C[6a]C[6]H)(S[5a]C[5a])	C[5a,6](C[5a,6]S[5a]C[6])(N[5a]C[5a]H)(S[6]C[6]){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	S[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HO){1|C<3>,1|C<4>,1|S<2>,3|H<1>}	C[5a,6](C[5a,6]N[5a]S[6])(C[6]C[6a]C[6]H)(S[5a]C[5a]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	126.8010	0.206	2	126.8010	0.043	2	126.8357	0.025	3	126.8357	0.025	3	125.9660	8.179	71	125.9660	8.179	71
727	286	727	6:SP2_SP2_SP2	C[5a,6]	S[6]	C[5a,6]	3:3:2:	3:4:	3:4:3:	C[5a,6]-3:N[5a]-3:S[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5,6]-4:C[5a,6]-3:	C[5a,6](C[5a,6]C[5a,6a]C[5,6])(N[5a]C[5a,6a]C)(S[6]C[6])	S[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5,6]C[5]C[6]O[5])(C[5a,6]N[5a]S[6])	C[5a,6](C[5a,6]C[5a,6a]C[5,6])(N[5a]C[5a,6a]C)(S[6]C[6]){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	S[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH){2|C<3>,2|C<4>,2|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5,6]C[5]C[6]O[5])(C[5a,6]N[5a]S[6]){2|C<4>,4|C<3>,5|H<1>}	128.0180	0.000	1	128.0180	0.000	1	128.0180	0.000	1	128.0930	0.011	2	125.9660	8.179	71	125.9660	8.179	71
727	286	727	6:SP2_SP2_SP2	C[5a,6]	S[6]	C[5a,6]	3:3:2:	3:4:	3:4:3:	C[5a,6]-3:N[5a]-3:S[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[6]-4:C[5a,6]-3:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(S[6]C[6])	S[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]C[6a]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6]C[5,6]C[6a]H)(C[5a,6]N[5a]S[6])	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(S[6]C[6]){1|C<4>,2|H<1>,4|C<3>}	S[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]C[6a]H){2|C<4>,6|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6]C[5,6]C[6a]H)(C[5a,6]N[5a]S[6]){1|H<1>,2|C<4>,6|C<3>}	128.1680	0.000	1	128.1680	0.000	1	128.1680	0.000	1	128.0930	0.011	2	125.9660	8.179	71	125.9660	8.179	71
727	286	727	6:SP2_SP2_SP2	C[5a,6]	S[6]	C[5a,6]	3:3:2:	3:4:	4:3:3:	C[5a,6]-3:N[5a]-3:S[6]-2:	C[5a,6]-3:C[6]-4:	C[6,6]-4:C[5a,6]-3:C[5a]-3:	C[5a,6](C[5a,6]C[6,6]C[5a])(N[5a]C[6a]N[5a])(S[6]C[6])	S[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)	C[5a,6](C[6,6]C[6,6a]C[6,6]H)(C[5a,6]N[5a]S[6])(C[5a]N[5a]C)	C[5a,6](C[5a,6]C[6,6]C[5a])(N[5a]C[6a]N[5a])(S[6]C[6]){2|C<4>,3|C<3>,3|H<1>}	S[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[5a,6](C[6,6]C[6,6a]C[6,6]H)(C[5a,6]N[5a]S[6])(C[5a]N[5a]C){1|H<1>,2|C<4>,3|C<3>}	129.2950	0.000	1	129.2950	0.000	1	129.2950	0.000	1	129.2950	0.000	1	125.9660	8.179	71	125.9660	8.179	71
727	286	727	6:SP2_SP2_SP2	C[5a,6]	S[6]	C[5a,6]	3:3:2:	4:3:	3:3:4:	C[5a,6]-3:N[5a]-3:S[6]-2:	C[5,6]-4:C[5a,6]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(S[6]C[5,6])	S[6](C[5,6]C[5,6a]C[5,6]H)(C[5a,6]C[5a,6]N[5a])	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]S[6])(C[6]C[5,6]HO)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(S[6]C[5,6]){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	S[6](C[5,6]C[5,6a]C[5,6]H)(C[5a,6]C[5a,6]N[5a]){1|C<4>,1|H<1>,1|S<4>,5|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]S[6])(C[6]C[5,6]HO){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	128.6270	0.000	1	128.6270	0.000	1	128.8175	0.073	2	128.8175	0.073	2	125.9660	8.179	71	125.9660	8.179	71
727	286	727	6:SP2_SP2_SP2	C[5a,6]	S[6]	C[5a,6]	3:3:2:	4:3:	3:3:4:	C[5a,6]-3:N[5a]-3:S[6]-2:	C[5,6]-4:C[5a,6]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(S[6]C[5,6])	S[6](C[5,6]C[5,6a]C[6]N[5])(C[5a,6]C[5a,6]N[5a])	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]S[6])(C[6]C[6a]C[6]H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(S[6]C[5,6]){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	S[6](C[5,6]C[5,6a]C[6]N[5])(C[5a,6]C[5a,6]N[5a]){1|S<4>,2|C<4>,2|H<1>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]S[6])(C[6]C[6a]C[6]H){2|C<4>,3|H<1>,4|C<3>}	129.0080	0.000	1	129.0080	0.000	1	128.8175	0.073	2	128.8175	0.073	2	125.9660	8.179	71	125.9660	8.179	71
727	286	813	0:SP2_SP2_SP2	C[5a,6]	S[6]	N[5a]	3:3:2:	3:3:	3:3:3:	C[5a,6]-3:N[5a]-3:S[6]-2:	C[5a,6]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C[6a])(S[6]C[6])	S[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]S[6])(C[6a]C[6a]2)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C[6a])(S[6]C[6]){1|C<4>,1|H<1>,6|C<3>}	S[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]S[6])(C[6a]C[6a]2){1|C<4>,3|H<1>,5|C<3>}	120.0670	0.000	1	120.0670	0.000	1	120.0670	0.000	1	120.0670	0.000	1	120.7694	1.638	18	120.7694	1.638	18
727	286	813	0:SP2_SP2_SP2	C[5a,6]	S[6]	N[5a]	3:3:2:	3:3:	3:3:4:	C[5a,6]-3:N[5a]-3:S[6]-2:	C[5a,6]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(S[6]C[6])	S[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]S[6])(CH3)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(S[6]C[6]){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	S[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]O){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]S[6])(CH3){1|C<4>,1|H<1>,3|C<3>}	119.8000	0.000	1	119.8000	0.000	1	119.8000	0.000	1	119.8000	0.000	1	120.7694	1.638	18	120.7694	1.638	18
727	286	813	0:SP2_SP2_SP2	C[5a,6]	S[6]	N[5a]	3:3:2:	3:4:	3:3:1:	C[5a,6]-3:N[5a]-3:S[6]-2:	C[5a,6]-3:C[6,6]-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(S[6]C[6,6])	S[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6]3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]S[6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(S[6]C[6,6]){1|H<1>,3|C<3>,3|C<4>}	S[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6]3){2|C<4>,3|C<3>,7|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]S[6])(H){1|H<1>,2|C<3>,2|C<4>}	121.0930	0.751	2	121.0930	0.564	2	121.0930	0.564	2	119.7234	1.777	5	120.7694	1.638	18	120.7694	1.638	18
727	286	813	0:SP2_SP2_SP2	C[5a,6]	S[6]	N[5a]	3:3:2:	3:4:	3:3:1:	C[5a,6]-3:N[5a]-3:S[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6](C[5a,6]S[5a]C[6])(N[5a]C[5a]H)(S[6]C[6])	S[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)	N[5a](C[5a,6]C[5a,6]S[6])(C[5a]S[5a]O)(H)	C[5a,6](C[5a,6]S[5a]C[6])(N[5a]C[5a]H)(S[6]C[6]){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	S[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH){1|H<1>,1|S<2>,2|C<3>,2|C<4>}	N[5a](C[5a,6]C[5a,6]S[6])(C[5a]S[5a]O)(H){2|C<4>}	118.4450	0.000	1	118.4450	0.000	1	118.8103	0.146	3	119.7234	1.777	5	120.7694	1.638	18	120.7694	1.638	18
727	286	813	0:SP2_SP2_SP2	C[5a,6]	S[6]	N[5a]	3:3:2:	3:4:	3:3:1:	C[5a,6]-3:N[5a]-3:S[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6](C[5a,6]S[5a]C[6])(N[5a]C[5a]H)(S[6]C[6])	S[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HO)	N[5a](C[5a,6]C[5a,6]S[6])(C[5a]S[5a]O)(H)	C[5a,6](C[5a,6]S[5a]C[6])(N[5a]C[5a]H)(S[6]C[6]){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	S[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HO){1|C<3>,1|C<4>,1|S<2>,3|H<1>}	N[5a](C[5a,6]C[5a,6]S[6])(C[5a]S[5a]O)(H){2|C<4>}	118.9930	0.303	2	118.9930	0.092	2	118.8103	0.146	3	119.7234	1.777	5	120.7694	1.638	18	120.7694	1.638	18
727	286	813	0:SP2_SP2_SP2	C[5a,6]	S[6]	N[5a]	3:3:2:	3:4:	3:3:2:	C[5a,6]-3:N[5a]-3:S[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a,6](C[5a,6]C[6,6]C[5a])(N[5a]C[6a]N[5a])(S[6]C[6])	S[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)	N[5a](C[5a,6]C[5a,6]S[6])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6](C[5a,6]C[6,6]C[5a])(N[5a]C[6a]N[5a])(S[6]C[6]){2|C<4>,3|C<3>,3|H<1>}	S[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	N[5a](C[5a,6]C[5a,6]S[6])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,2|H<1>,3|C<4>}	122.3120	0.000	1	122.3120	0.000	1	122.3120	0.000	1	122.3120	0.000	1	120.7694	1.638	18	120.7694	1.638	18
727	286	813	0:SP2_SP2_SP2	C[5a,6]	S[6]	N[5a]	3:3:2:	3:4:	3:3:3:	C[5a,6]-3:N[5a]-3:S[6]-2:	C[5a,6]-3:C[6,6]-4:	C[5a,6a]-3:C[5a,6]-3:C-3:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(S[6]C[6,6])	S[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6]3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]S[6])(COO)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(S[6]C[6,6]){1|H<1>,3|C<3>,3|C<4>}	S[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6]3){2|C<4>,4|C<3>,6|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]S[6])(COO){1|H<1>,2|C<3>,2|C<4>}	121.1407	0.506	4	121.1407	0.256	4	121.1407	0.256	4	121.1407	0.256	4	120.7694	1.638	18	120.7694	1.638	18
727	286	813	0:SP2_SP2_SP2	C[5a,6]	S[6]	N[5a]	3:3:2:	3:4:	3:3:4:	C[5a,6]-3:N[5a]-3:S[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6](C[5a,6]C[5a,6a]C[5,6])(N[5a]C[5a,6a]C)(S[6]C[6])	S[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]S[6])(CH3)	C[5a,6](C[5a,6]C[5a,6a]C[5,6])(N[5a]C[5a,6a]C)(S[6]C[6]){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	S[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH){2|C<3>,2|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]S[6])(CH3){1|H<1>,2|C<3>,2|C<4>}	121.2820	0.000	1	121.2820	0.000	1	121.8590	0.943	4	121.8590	0.943	4	120.7694	1.638	18	120.7694	1.638	18
727	286	813	0:SP2_SP2_SP2	C[5a,6]	S[6]	N[5a]	3:3:2:	3:4:	3:3:4:	C[5a,6]-3:N[5a]-3:S[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(S[6]C[6])	S[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]S[6])(CH3)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(S[6]C[6]){1|C<4>,2|H<1>,4|C<3>}	S[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]C[6a]H){2|C<4>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]S[6])(CH3){1|H<1>,2|C<3>,2|C<4>}	121.0890	0.000	1	121.0890	0.000	1	121.8590	0.943	4	121.8590	0.943	4	120.7694	1.638	18	120.7694	1.638	18
727	286	813	0:SP2_SP2_SP2	C[5a,6]	S[6]	N[5a]	3:3:2:	3:4:	3:3:4:	C[5a,6]-3:N[5a]-3:S[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(S[6]C[6])	S[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]S[6])(CH3)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(S[6]C[6]){1|C<4>,3|C<3>,3|H<1>}	S[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]S[6])(CH3){1|H<1>,2|C<3>,2|C<4>}	121.8270	0.000	1	121.8270	0.000	1	121.8590	0.943	4	121.8590	0.943	4	120.7694	1.638	18	120.7694	1.638	18
727	286	813	0:SP2_SP2_SP2	C[5a,6]	S[6]	N[5a]	3:3:2:	3:4:	3:3:4:	C[5a,6]-3:N[5a]-3:S[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(S[6]C[6])	S[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]S[6])(CH3)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(S[6]C[6]){1|C<4>,1|H<1>,4|C<3>}	S[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6]H){1|C<4>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]S[6])(CH3){1|C<4>,1|H<1>,3|C<3>}	123.2380	0.000	1	123.2380	0.000	1	121.8590	0.943	4	121.8590	0.943	4	120.7694	1.638	18	120.7694	1.638	18
727	286	813	0:SP2_SP2_SP2	C[5a,6]	S[6]	N[5a]	3:3:2:	4:3:	3:3:3:	C[5a,6]-3:N[5a]-3:S[6]-2:	C[5,6]-4:C[5a,6]-3:	C[5a,6a]-3:C[5a,6]-3:C-3:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(S[6]C[5,6])	S[6](C[5,6]C[5,6a]C[5,6]H)(C[5a,6]C[5a,6]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]S[6])(COO)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(S[6]C[5,6]){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	S[6](C[5,6]C[5,6a]C[5,6]H)(C[5a,6]C[5a,6]N[5a]){1|C<4>,1|H<1>,1|S<4>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]S[6])(COO){1|H<1>,2|C<3>,2|C<4>}	121.6300	0.000	1	121.6300	0.000	1	121.6300	0.000	1	121.6300	0.000	1	120.7694	1.638	18	120.7694	1.638	18
727	286	813	0:SP2_SP2_SP2	C[5a,6]	S[6]	N[5a]	3:3:2:	4:3:	3:3:4:	C[5a,6]-3:N[5a]-3:S[6]-2:	C[5,6]-4:C[5a,6]-3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(S[6]C[5,6])	S[6](C[5,6]C[5,6a]C[6]N[5])(C[5a,6]C[5a,6]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]S[6])(CH3)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(S[6]C[5,6]){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	S[6](C[5,6]C[5,6a]C[6]N[5])(C[5a,6]C[5a,6]N[5a]){1|S<4>,2|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]S[6])(CH3){1|H<1>,2|C<3>,2|C<4>}	119.4240	0.000	1	119.4240	0.000	1	119.4240	0.000	1	119.4240	0.000	1	120.7694	1.638	18	120.7694	1.638	18
727	286	813	6:SP2_SP2_SP2	C[5a,6]	S[6]	N[5a,6]	3:2:2:	3:3:	3:3:2:	N[5a,6]-3:N[5a]-2:S[6]-2:	C[5a,6]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:N[6]-2:	C[5a,6](N[5a,6]C[5a]N[6])(N[5a]N[5a])(S[6]C[6])	S[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]C)	N[5a,6](C[5a,6]N[5a]S[6])(C[5a]C[6a]N[5a])(N[6]C[6])	C[5a,6](N[5a,6]C[5a]N[6])(N[5a]N[5a])(S[6]C[6]){3|C<3>}	S[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]C){2|C<3>,2|N<2>}	N[5a,6](C[5a,6]N[5a]S[6])(C[5a]C[6a]N[5a])(N[6]C[6]){4|C<3>}	124.5860	0.000	1	124.5860	0.000	1	123.6838	2.386	4	123.6810	1.789	5	121.9135	4.793	54	121.9135	4.793	54
727	286	813	6:SP2_SP2_SP2	C[5a,6]	S[6]	N[5a,6]	3:2:2:	3:3:	3:3:2:	N[5a,6]-3:N[5a]-2:S[6]-2:	C[5a,6]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:N[6]-2:	C[5a,6](N[5a,6]C[5a]N[6])(N[5a]N[5a])(S[6]C[6])	S[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]C)	N[5a,6](C[5a,6]N[5a]S[6])(C[5a]N[5a]C)(N[6]C[6])	C[5a,6](N[5a,6]C[5a]N[6])(N[5a]N[5a])(S[6]C[6]){1|C<4>,2|C<3>}	S[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]C){2|C<3>,2|N<2>}	N[5a,6](C[5a,6]N[5a]S[6])(C[5a]N[5a]C)(N[6]C[6]){2|C<3>}	121.4120	0.000	1	121.4120	0.000	1	123.6838	2.386	4	123.6810	1.789	5	121.9135	4.793	54	121.9135	4.793	54
727	286	813	6:SP2_SP2_SP2	C[5a,6]	S[6]	N[5a,6]	3:2:2:	3:3:	3:3:2:	N[5a,6]-3:N[5a]-2:S[6]-2:	C[5a,6]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:N[6]-2:	C[5a,6](N[5a,6]C[5a]N[6])(N[5a]N[5a])(S[6]C[6])	S[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]N)	N[5a,6](C[5a,6]N[5a]S[6])(C[5a]C[6a]N[5a])(N[6]C[6])	C[5a,6](N[5a,6]C[5a]N[6])(N[5a]N[5a])(S[6]C[6]){1|N<2>,2|C<3>}	S[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]N){1|C<3>,1|C<4>,2|N<2>}	N[5a,6](C[5a,6]N[5a]S[6])(C[5a]C[6a]N[5a])(N[6]C[6]){1|C<4>,3|C<3>}	124.3685	0.494	2	124.3685	0.244	2	123.6838	2.386	4	123.6810	1.789	5	121.9135	4.793	54	121.9135	4.793	54
727	286	813	6:SP2_SP2_SP2	C[5a,6]	S[6]	N[5a,6]	3:2:2:	3:3:	3:3:2:	N[5a,6]-3:N[5a]-2:S[6]-2:	C[5a,6]-3:C[6]-3:	C[6,6a]-3:C[5a,6]-3:N[5a]-2:	C[5a,6](N[5a,6]C[6,6a]N[5a])(N[5a]N[5a])(S[6]C[6])	S[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6,6a]C)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]S[6])(N[5a]N[5a])	C[5a,6](N[5a,6]C[6,6a]N[5a])(N[5a]N[5a])(S[6]C[6]){3|C<3>}	S[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6,6a]C){2|C<3>,2|N<2>}	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]S[6])(N[5a]N[5a]){1|H<1>,3|C<3>}	123.6700	0.000	1	123.6700	0.000	1	123.6700	0.000	1	123.6810	1.789	5	121.9135	4.793	54	121.9135	4.793	54
727	286	813	6:SP2_SP2_SP2	C[5a,6]	S[6]	N[5a,6]	3:2:2:	3:3:	3:3:3:	N[5a,6]-3:N[5a]-2:S[6]-2:	C[5a,6]-3:C[6,6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(S[6]C[6,6a])	S[6](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]S[6])(C[6]C[6,6a]N)	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(S[6]C[6,6a]){1|N<2>,4|C<3>}	S[6](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a]){1|H<1>,5|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]S[6])(C[6]C[6,6a]N){1|H<1>,4|C<3>}	124.5360	0.000	1	124.5360	0.000	1	124.3170	0.096	2	125.6188	2.496	4	121.9135	4.793	54	121.9135	4.793	54
727	286	813	6:SP2_SP2_SP2	C[5a,6]	S[6]	N[5a,6]	3:2:2:	3:3:	3:3:3:	N[5a,6]-3:N[5a]-2:S[6]-2:	C[5a,6]-3:C[6,6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(S[6]C[6,6a])	S[6](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]S[6])(C[6]C[6,6a]O)	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(S[6]C[6,6a]){1|O<1>,4|C<3>}	S[6](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a]){1|H<1>,5|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]S[6])(C[6]C[6,6a]O){1|H<1>,4|C<3>}	124.0980	0.000	1	124.0980	0.000	1	124.3170	0.096	2	125.6188	2.496	4	121.9135	4.793	54	121.9135	4.793	54
727	286	813	6:SP2_SP2_SP2	C[5a,6]	S[6]	N[5a,6]	3:2:2:	3:3:	3:3:3:	N[5a,6]-3:S[5a]-2:S[6]-2:	C[5a,6]-3:C[5,6]-3:	C[5a,6a]-3:C[5a,6]-3:B[6]-3:	C[5a,6](N[5a,6]C[5a,6a]B[6])(S[5a]C[5a,6a])(S[6]C[5,6])	S[6](C[5a,6]N[5a,6]S[5a])(C[5,6]N[5,6]S[5])	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]S[6])(B[6]N[5,6]N[5])	C[5a,6](N[5a,6]C[5a,6a]B[6])(S[5a]C[5a,6a])(S[6]C[5,6]){1|S<2>,2|C<3>,2|N<3>}	S[6](C[5a,6]N[5a,6]S[5a])(C[5,6]N[5,6]S[5]){1|B<3>,4|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]S[6])(B[6]N[5,6]N[5]){1|H<1>,6|C<3>}	126.9205	0.783	2	126.9205	0.613	2	126.9205	0.613	2	125.6188	2.496	4	121.9135	4.793	54	121.9135	4.793	54
727	286	813	6:SP2_SP2_SP2	C[5a,6]	S[6]	N[5a,6]	3:2:2:	3:3:	3:3:4:	N[5a,6]-3:S[6]-2:N[5a]-2:	C[5a,6]-3:C[6,6a]-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6](N[5a,6]C[5a]C[6])(S[6]C[6,6a])(N[5a]N[5a])	S[6](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])	N[5a,6](C[5a,6]N[5a]S[6])(C[5a]C[6a]N[5a])(C[6]C[6,6a]HH)	C[5a,6](N[5a,6]C[5a]C[6])(S[6]C[6,6a])(N[5a]N[5a]){2|H<1>,3|C<3>}	S[6](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	N[5a,6](C[5a,6]N[5a]S[6])(C[5a]C[6a]N[5a])(C[6]C[6,6a]HH){4|C<3>}	122.7930	0.000	1	122.7930	0.000	1	122.7930	0.000	1	122.7930	0.000	1	121.9135	4.793	54	121.9135	4.793	54
727	286	813	6:SP2_SP2_SP2	C[5a,6]	S[6]	N[5a,6]	3:2:2:	3:4:	3:3:2:	N[5a,6]-3:N[5a]-2:S[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6]-3:C[5a]-3:N[6]-2:	C[5a,6](N[5a,6]C[5a]N[6])(N[5a]N[5a])(S[6]C[6])	S[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]HH)	N[5a,6](C[5a,6]N[5a]S[6])(C[5a]C[5a]N[5a])(N[6]C[6])	C[5a,6](N[5a,6]C[5a]N[6])(N[5a]N[5a])(S[6]C[6]){2|C<3>,2|H<1>}	S[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]HH){2|C<3>,2|N<2>}	N[5a,6](C[5a,6]N[5a]S[6])(C[5a]C[5a]N[5a])(N[6]C[6]){1|C<3>,1|C<4>,1|N<2>,1|S<2>}	120.2710	0.000	1	119.7573	0.259	3	120.2462	0.339	30	120.2462	0.339	30	121.9135	4.793	54	121.9135	4.793	54
727	286	813	6:SP2_SP2_SP2	C[5a,6]	S[6]	N[5a,6]	3:2:2:	3:4:	3:3:2:	N[5a,6]-3:N[5a]-2:S[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6]-3:C[5a]-3:N[6]-2:	C[5a,6](N[5a,6]C[5a]N[6])(N[5a]N[5a])(S[6]C[6])	S[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]HH)	N[5a,6](C[5a,6]N[5a]S[6])(C[5a]C[5a]N[5a])(N[6]C[6])	C[5a,6](N[5a,6]C[5a]N[6])(N[5a]N[5a])(S[6]C[6]){2|C<3>,2|H<1>}	S[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]HH){2|C<3>,2|N<2>}	N[5a,6](C[5a,6]N[5a]S[6])(C[5a]C[5a]N[5a])(N[6]C[6]){1|C<4>,1|O<2>,2|C<3>}	119.5005	0.349	2	119.7573	0.259	3	120.2462	0.339	30	120.2462	0.339	30	121.9135	4.793	54	121.9135	4.793	54
727	286	813	6:SP2_SP2_SP2	C[5a,6]	S[6]	N[5a,6]	3:2:2:	3:4:	3:3:2:	N[5a,6]-3:N[5a]-2:S[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6]-3:C[5a]-3:N[6]-2:	C[5a,6](N[5a,6]C[5a]N[6])(N[5a]N[5a])(S[6]C[6])	S[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]HH)	N[5a,6](C[5a,6]N[5a]S[6])(C[5a]C[6a]N[5a])(N[6]C[6])	C[5a,6](N[5a,6]C[5a]N[6])(N[5a]N[5a])(S[6]C[6]){2|C<3>,2|H<1>}	S[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]HH){2|C<3>,2|N<2>}	N[5a,6](C[5a,6]N[5a]S[6])(C[5a]C[6a]N[5a])(N[6]C[6]){1|C<4>,3|C<3>}	120.5160	0.382	9	120.5160	0.146	9	120.2462	0.339	30	120.2462	0.339	30	121.9135	4.793	54	121.9135	4.793	54
727	286	813	6:SP2_SP2_SP2	C[5a,6]	S[6]	N[5a,6]	3:2:2:	3:4:	3:3:2:	N[5a,6]-3:N[5a]-2:S[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6]-3:C[5a]-3:N[6]-2:	C[5a,6](N[5a,6]C[5a]N[6])(N[5a]N[5a])(S[6]C[6])	S[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]HH)	N[5a,6](C[5a,6]N[5a]S[6])(C[5a]N[5a]C)(N[6]C[6])	C[5a,6](N[5a,6]C[5a]N[6])(N[5a]N[5a])(S[6]C[6]){1|C<3>,1|C<4>,2|H<1>}	S[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]HH){2|C<3>,2|N<2>}	N[5a,6](C[5a,6]N[5a]S[6])(C[5a]N[5a]C)(N[6]C[6]){1|C<3>,1|C<4>}	120.1927	0.629	18	120.1927	0.396	18	120.2462	0.339	30	120.2462	0.339	30	121.9135	4.793	54	121.9135	4.793	54
727	286	813	6:SP2_SP2_SP2	C[5a,6]	S[6]	N[5a,6]	3:2:2:	3:4:	3:3:3:	N[5a,6]-3:N[5a]-2:S[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(S[6]C[6])	S[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]HH)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]S[6])(C[6]C[6a]C[6])	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(S[6]C[6]){2|H<1>,4|C<3>}	S[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]HH){1|Se<2>,3|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]S[6])(C[6]C[6a]C[6]){1|Se<2>,1|C<4>,1|H<1>,4|C<3>}	121.2943	0.086	3	121.2943	0.007	3	121.2943	0.007	3	121.2943	0.007	3	121.9135	4.793	54	121.9135	4.793	54
727	286	813	6:SP2_SP2_SP2	C[5a,6]	S[6]	N[5a,6]	3:2:2:	3:4:	3:3:4:	N[5a,6]-3:N[5a]-2:S[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(S[6]C[6])	S[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]HH)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]S[6])(C[6]C[6]CH)	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(S[6]C[6]){2|C<3>,2|C<4>,3|H<1>}	S[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]S[6])(C[6]C[6]CH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	124.7420	0.000	1	124.7420	0.000	1	124.4643	0.125	4	124.4643	0.125	4	121.9135	4.793	54	121.9135	4.793	54
727	286	813	6:SP2_SP2_SP2	C[5a,6]	S[6]	N[5a,6]	3:2:2:	3:4:	3:3:4:	N[5a,6]-3:N[5a]-2:S[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(S[6]C[6])	S[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]HH)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]S[6])(C[6]C[6]HH)	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(S[6]C[6]){1|C<4>,2|C<3>,4|H<1>}	S[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]S[6])(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	124.7060	0.000	1	124.7060	0.000	1	124.4643	0.125	4	124.4643	0.125	4	121.9135	4.793	54	121.9135	4.793	54
727	286	813	6:SP2_SP2_SP2	C[5a,6]	S[6]	N[5a,6]	3:2:2:	3:4:	3:3:4:	N[5a,6]-3:N[5a]-2:S[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(S[6]C[6])	S[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]HH)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]S[6])(C[6]C[6a]C[6]H)	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(S[6]C[6]){1|C<4>,3|C<3>,3|H<1>}	S[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]S[6])(C[6]C[6a]C[6]H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	124.2045	0.322	2	124.2045	0.104	2	124.4643	0.125	4	124.4643	0.125	4	121.9135	4.793	54	121.9135	4.793	54
727	286	813	6:SP2_SP2_SP2	C[5a,6]	S[6]	N[5a,6]	3:3:2:	3:3:	3:3:3:	N[5a,6]-3:C[5a]-3:S[6]-2:	C[5a,6]-3:C[6]-3:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[5a]N[5a]C)(S[6]C[6])	S[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6,6a]C)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]S[6])(C[5a]N[5a]H)	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[5a]N[5a]C)(S[6]C[6]){1|H<1>,3|C<3>}	S[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6,6a]C){1|N<2>,4|C<3>}	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]S[6])(C[5a]N[5a]H){1|H<1>,4|C<3>}	123.1000	0.000	1	123.1000	0.000	1	123.1000	0.000	1	123.1000	0.000	1	121.9135	4.793	54	121.9135	4.793	54
727	286	813	6:SP2_SP2_SP2	C[5a,6]	S[6]	N[5a,6]	3:3:2:	3:4:	3:2:3:	N[5a,6]-3:C[5a]-3:S[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6]-3:N[5a]-2:N[6]-3:	C[5a,6](N[5a,6]N[5a]N[6])(C[5a]N[5a]C)(S[6]C[6])	S[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]CH)	N[5a,6](C[5a,6]C[5a]S[6])(N[5a]N[5a])(N[6]C[6]H)	C[5a,6](N[5a,6]N[5a]N[6])(C[5a]N[5a]C)(S[6]C[6]){1|C<3>,1|C<4>,2|H<1>}	S[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]CH){1|C<3>,1|N<3>,2|C<4>,2|N<2>}	N[5a,6](C[5a,6]C[5a]S[6])(N[5a]N[5a])(N[6]C[6]H){1|C<3>,3|C<4>}	124.9700	0.000	1	125.0335	0.008	2	125.0335	0.008	2	125.0335	0.008	2	121.9135	4.793	54	121.9135	4.793	54
727	286	813	6:SP2_SP2_SP2	C[5a,6]	S[6]	N[5a,6]	3:3:2:	3:4:	3:2:3:	N[5a,6]-3:C[5a]-3:S[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6]-3:N[5a]-2:N[6]-3:	C[5a,6](N[5a,6]N[5a]N[6])(C[5a]N[5a]C)(S[6]C[6])	S[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]CH)	N[5a,6](C[5a,6]C[5a]S[6])(N[5a]N[5a])(N[6]C[6]H)	C[5a,6](N[5a,6]N[5a]N[6])(C[5a]N[5a]C)(S[6]C[6]){1|C<3>,1|C<4>,2|H<1>}	S[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]CH){1|C<4>,1|N<3>,2|C<3>,2|N<2>}	N[5a,6](C[5a,6]C[5a]S[6])(N[5a]N[5a])(N[6]C[6]H){2|C<3>,2|C<4>}	125.0970	0.000	1	125.0335	0.008	2	125.0335	0.008	2	125.0335	0.008	2	121.9135	4.793	54	121.9135	4.793	54
727	286	813	6:SP2_SP2_SP2	C[5a,6]	S[6]	N[5a,6]	3:3:2:	3:4:	3:3:2:	N[5a,6]-3:C[5a]-3:S[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6]-3:N[6]-3:N[5a]-2:	C[5a,6](N[5a,6]N[5a]N[6])(C[5a]N[5a]C)(S[6]C[6])	S[6](C[5a,6]N[5a,6]C[5a])(C[6]C[5,6]CH)	N[5a,6](C[5a,6]C[5a]S[6])(N[6]C[5,6]H)(N[5a]N[5a])	C[5a,6](N[5a,6]N[5a]N[6])(C[5a]N[5a]C)(S[6]C[6]){1|C<3>,1|C<4>,2|H<1>}	S[6](C[5a,6]N[5a,6]C[5a])(C[6]C[5,6]CH){1|C<3>,1|N<3>,2|C<4>,2|N<2>}	N[5a,6](C[5a,6]C[5a]S[6])(N[6]C[5,6]H)(N[5a]N[5a]){1|C<3>,3|C<4>}	125.0010	0.000	1	125.0010	0.000	1	124.8167	0.041	3	124.8167	0.041	3	121.9135	4.793	54	121.9135	4.793	54
727	286	813	6:SP2_SP2_SP2	C[5a,6]	S[6]	N[5a,6]	3:3:2:	3:4:	3:3:2:	N[5a,6]-3:C[5a]-3:S[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6]-3:N[6]-3:N[5a]-2:	C[5a,6](N[5a,6]N[5a]N[6])(C[5a]N[5a]C)(S[6]C[6])	S[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6,6]CH)	N[5a,6](C[5a,6]C[5a]S[6])(N[6]C[6,6]H)(N[5a]N[5a])	C[5a,6](N[5a,6]N[5a]N[6])(C[5a]N[5a]C)(S[6]C[6]){1|C<3>,1|C<4>,2|H<1>}	S[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6,6]CH){1|C<3>,1|N<3>,2|C<4>,2|N<2>}	N[5a,6](C[5a,6]C[5a]S[6])(N[6]C[6,6]H)(N[5a]N[5a]){1|C<3>,3|C<4>}	124.7245	0.179	2	124.7245	0.032	2	124.8167	0.041	3	124.8167	0.041	3	121.9135	4.793	54	121.9135	4.793	54
727	286	813	6:SP2_SP2_SP2	C[5a,6]	S[6]	N[5a,6]	3:3:2:	3:4:	3:3:3:	N[5a,6]-3:C[5a]-3:S[6]-2:	C[5a,6]-3:C[6]-4:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[6a]N[5a])(S[6]C[6])	S[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)	N[5a,6](C[5a,6]C[5a]S[6])(C[5a]C[6a]N[5a])(C[6]C[6]O)	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[6a]N[5a])(S[6]C[6]){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	S[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH){1|N<2>,2|H<1>,3|C<3>}	N[5a,6](C[5a,6]C[5a]S[6])(C[5a]C[6a]N[5a])(C[6]C[6]O){1|C<4>,2|H<1>,3|C<3>}	122.9150	0.000	1	122.9150	0.000	1	122.9150	0.000	1	122.9150	0.000	1	121.9135	4.793	54	121.9135	4.793	54
727	310	727	0:SP2_SP2_SP3	C[5a]	Ge	C[5a]	3:2:4:	3:3:4:4:	3:3:1:	C[5a]-3:S[5a]-2:Ge-4:	C[5a]-3:C[5a]-3:C-4:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(GeC[5a]CC)	Ge(C[5a]C[5a]S[5a])2(CH3)2	C[5a](C[5a]S[5a]Ge)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(GeC[5a]CC){1|Ge<4>,1|H<1>}	Ge(C[5a]C[5a]S[5a])2(CH3)2	C[5a](C[5a]S[5a]Ge)(C[5a]C[5a]H)(H){1|Ge<4>}	128.1362	1.456	4	128.1362	2.121	4	128.1362	2.121	4	128.1362	2.121	4	126.4465	5.588	10	126.4465	5.588	10
727	310	727	0:SP2_SP2_SP3	C[5a]	Ge	C[5a]	3:2:4:	3:4:4:4:	3:3:1:	C[5a]-3:S[5a]-2:Ge-4:	C[5a]-3:Ge-4:C-4:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(GeGeCC)	Ge(C[5a]C[5a]S[5a])(GeC3)(CH3)2	C[5a](C[5a]S[5a]Ge)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(GeGeCC){1|C<3>,1|H<1>}	Ge(C[5a]C[5a]S[5a])(GeC3)(CH3)2	C[5a](C[5a]S[5a]Ge)(C[5a]C[5a]H)(H){1|C<3>}	126.7900	0.000	1	126.7900	0.000	1	127.9725	2.797	2	127.9725	2.797	2	126.4465	5.588	10	126.4465	5.588	10
727	310	727	0:SP2_SP2_SP3	C[5a]	Ge	C[5a]	3:2:4:	3:4:4:4:	3:3:1:	C[5a]-3:S[5a]-2:Ge-4:	C[5a]-3:Ge-4:C-4:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(GeGeCC)	Ge(C[5a]C[5a]S[5a])(GeC[5a]CC)(CH3)2	C[5a](C[5a]S[5a]Ge)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(GeGeCC){1|C<3>,1|H<1>}	Ge(C[5a]C[5a]S[5a])(GeC[5a]CC)(CH3)2	C[5a](C[5a]S[5a]Ge)(C[5a]C[5a]H)(H){1|C<3>}	129.1550	0.000	1	129.1550	0.000	1	127.9725	2.797	2	127.9725	2.797	2	126.4465	5.588	10	126.4465	5.588	10
727	310	727	0:SP2_SP2_SP3	C[5a]	Ge	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a]-3:C[5a]-3:Ge-4:	C[5a]-3:C[5a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(GeC[5a]HH)	Ge(C[5a]C[5a]2)2(H)2	C[5a](C[5a]C[5a]Ge)(C[5a]S[5a]H)(H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(GeC[5a]HH){1|C<3>,1|H<1>,1|S<2>}	Ge(C[5a]C[5a]2)2(H)2	C[5a](C[5a]C[5a]Ge)(C[5a]S[5a]H)(H){1|C<3>}	124.4875	0.115	2	124.4875	0.013	2	124.4875	0.013	2	124.4875	0.013	2	126.4465	5.588	10	126.4465	5.588	10
727	310	727	0:SP2_SP2_SP3	C[5a]	Ge	C[5a]	3:3:4:	3:3:1:1:	3:3:2:	C[5a]-3:C[5a]-3:Ge-4:	C[5a]-3:C[5a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(GeC[5a]HH)	Ge(C[5a]C[5a]2)2(H)2	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]Ge)(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(GeC[5a]HH){1|C<3>,1|H<1>,1|S<2>}	Ge(C[5a]C[5a]2)2(H)2	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]Ge)(S[5a]C[5a]){1|Ge<4>,2|C<3>,2|H<1>}	123.5000	0.048	2	123.5000	0.002	2	123.5000	0.002	2	123.5000	0.002	2	126.4465	5.588	10	126.4465	5.588	10
727	334	643	0:SP2_SP1_SP2	C[5,6a]	C[5]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[5,6a]-3:C[5]-2:	C[5,6a]-3:C[5]-3:	C[6a,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[5,6a]S[5])(C[5]C[5])	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]S[5]H)	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[5,6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[5,6a]S[5])(C[5]C[5]){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]S[5]H){1|N<2>,2|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>}	127.8005	1.282	2	127.8005	1.643	2	127.8005	1.643	2	127.8005	1.643	2	127.8483	0.829	3	127.8483	0.829	3
727	334	643	0:SP2_SP1_SP2	C[5,6a]	C[5]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:C[5]-2:	C[5,6a]-3:C[5]-3:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]N[5])(C[5]C[5])	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]N[5])	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]N[5])(C[5]C[5]){1|N<2>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]N[5]){1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	127.9440	0.000	1	127.9440	0.000	1	127.9440	0.000	1	127.9440	0.000	1	127.8483	0.829	3	127.8483	0.829	3
727	334	727	0:SP2_SP1_SP2	C[5,5a]	C[5]	C[5a,5a]	3:3:2:	3:3:	3:3:3:	C[5a,5a]-3:C[5,5a]-3:C[5]-2:	C[5,5a]-3:C[5]-3:	C[5,5a]-3:C[5a,5a]-3:C[5a,5a]-3:	C[5,5a](C[5a,5a]C[5a,5a]2)(C[5,5a]S[5a]S[5])(C[5]C[5])	C[5](C[5,5a]C[5a,5a]C[5,5a])(C[5]S[5]C)	C[5a,5a](C[5,5a]C[5,5a]C[5])(C[5a,5a]C[5a,5a]2)(C[5a,5a]S[5a]2)	C[5,5a](C[5a,5a]C[5a,5a]2)(C[5,5a]S[5a]S[5])(C[5]C[5]){1|C<4>,1|S<2>,2|C<3>}	C[5](C[5,5a]C[5a,5a]C[5,5a])(C[5]S[5]C){1|S<2>,2|C<3>}	C[5a,5a](C[5,5a]C[5,5a]C[5])(C[5a,5a]C[5a,5a]2)(C[5a,5a]S[5a]2){2|S<2>,3|C<3>}	136.9420	0.624	4	136.9420	0.390	4	136.9420	0.390	4	136.9420	0.390	4	136.9420	0.390	4	134.1813	18.587	6
727	334	727	0:SP2_SP1_SP2	C[5,6a]	C[5]	C[5,6a]	3:3:2:	3:3:	3:3:2:	C[5,6a]-3:C[5,6a]-3:C[5]-2:	C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[5,6a]-3:C[5]-2:	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6,6a]S[5])(C[5]C[5])	C[5](C[5,6a]C[5,6a]2)(C[5]C[6]S[5])	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6,6a]S[5])(C[5]C[5])	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6,6a]S[5])(C[5]C[5]){1|C<2>,1|S<2>,3|C<3>}	C[5](C[5,6a]C[5,6a]2)(C[5]C[6]S[5]){2|C<3>,3|C<2>}	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6,6a]S[5])(C[5]C[5]){1|C<2>,1|S<2>,3|C<3>}	128.6600	0.556	2	128.6600	0.309	2	128.6600	0.309	2	128.6600	0.309	2	128.6600	0.309	2	134.1813	18.587	6
727	334	727	5:SP2_SP1_SP2	C[5,5a]	C[5]	C[5,5a]	3:3:2:	3:3:	3:2:2:	C[5a,5a]-3:C[5,5a]-3:C[5]-2:	C[5,5a]-3:C[5]-3:	C[5,5a]-3:S[5a]-2:S[5]-2:	C[5,5a](C[5a,5a]C[5a,5a]2)(C[5,5a]S[5a]S[5])(C[5]C[5])	C[5](C[5,5a]C[5a,5a]C[5,5a])(C[5]S[5]C)	C[5,5a](C[5,5a]C[5a,5a]C[5])(S[5a]C[5a,5a])(S[5]C[5])	C[5,5a](C[5a,5a]C[5a,5a]2)(C[5,5a]S[5a]S[5])(C[5]C[5]){1|C<4>,1|S<2>,2|C<3>}	C[5](C[5,5a]C[5a,5a]C[5,5a])(C[5]S[5]C){1|S<2>,2|C<3>}	C[5,5a](C[5,5a]C[5a,5a]C[5])(S[5a]C[5a,5a])(S[5]C[5]){1|C<3>,1|C<4>,1|S<2>}	112.2952	0.307	4	112.2952	0.094	4	112.2952	0.094	4	112.2952	0.094	4	112.2952	0.094	4	112.2743	0.451	9
727	334	727	5:SP2_SP1_SP2	C[5,6a]	C[5]	C[5,6a]	3:3:2:	3:3:	3:3:2:	C[5,6a]-3:C[5,6a]-3:C[5]-2:	C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6,6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6,6a]S[5])(C[5]C[5])	C[5](C[5,6a]C[5,6a]2)(C[5]C[6]S[5])	C[5,6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6a]C[6])(S[5]C[5])	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6,6a]S[5])(C[5]C[5]){1|C<2>,1|S<2>,3|C<3>}	C[5](C[5,6a]C[5,6a]2)(C[5]C[6]S[5]){2|C<3>,3|C<2>}	C[5,6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6a]C[6])(S[5]C[5]){2|C<2>,3|C<3>}	112.7010	0.421	2	112.7010	0.178	2	112.7010	0.178	2	112.6300	0.182	4	112.2576	0.830	5	112.2743	0.451	9
727	334	727	5:SP2_SP1_SP2	C[5,6a]	C[5]	C[5,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[5,6a]-3:C[5]-2:	C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[5,6a]-3:S[5]-2:	C[5,6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[5,6a]S[5])(C[5]C[5])	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]S[5]H)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[5,6a]C[5,6a]S[5])(S[5]C[5])	C[5,6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[5,6a]S[5])(C[5]C[5]){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]S[5]H){1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[5,6a]C[5,6a]S[5])(S[5]C[5]){1|C<2>,1|H<1>,1|N<2>,2|C<3>}	112.5590	0.590	2	112.5590	0.348	2	112.5590	0.348	2	112.6300	0.182	4	112.2576	0.830	5	112.2743	0.451	9
727	334	727	5:SP2_SP1_SP2	C[5,6a]	C[5]	C[5,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:C[5]-2:	C[5,6a]-3:C[5]-3:	C[6a,6a]-3:C[5,6a]-3:N[5]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]N[5])(C[5]C[5])	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]N[5])	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(N[5]C[5]H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]N[5])(C[5]C[5]){1|N<2>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]N[5]){1|H<1>,5|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(N[5]C[5]H){1|H<1>,1|N<2>,4|C<3>}	110.7680	0.000	1	110.7680	0.000	1	110.7680	0.000	1	110.7680	0.000	1	112.2576	0.830	5	112.2743	0.451	9
727	362	371	0:SP2_SP2_SPD6	C[5,6a]	C[5x3,6x5,20x6]	N[6a]	6:3:2:	6:6:6:6:6:3:	3:3:	C[5x3,6x5,20x6]-6:C[5,6a]-3:N[6a]-2:	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[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5x3,6x5,20x6]B[5x3,5x5,20x6]3B[5x3,6x5,20x6]C[5x3,5x5,20x6])(C[5,6a]C[6a]C[5])(N[6a]C[6a,6a])	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])(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(C[5,6a]C[5,6a]N[6a])	N[6a](C[5,6a]C[5x3,6x5,20x6]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])	C[5,6a](C[5x3,6x5,20x6]B[5x3,5x5,20x6]3B[5x3,6x5,20x6]C[5x3,5x5,20x6])(C[5,6a]C[6a]C[5])(N[6a]C[6a,6a]){2|C<3>,2|C<4>,5|B<6>,5|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])(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(C[5,6a]C[5,6a]N[6a]){1|B<6>,2|C<3>,7|H<1>}	N[6a](C[5,6a]C[5x3,6x5,20x6]C[5,6a])(C[6a,6a]C[6a,6a]C[6a]){1|C<4>,1|C<6>,1|H<1>,3|C<3>,4|B<6>}	122.2240	0.000	1	122.2240	0.000	1	122.2240	0.000	1	122.2240	0.000	1	122.2240	0.000	1	122.2240	0.000	1
727	362	519	0:SP2_SP2_SPD6	C[5a]	C[5x3,5x5,20x6]	N[5a]	6:2:2:	6:6:6:6:6:3:	3:3:	C[5x3,5x5,20x6]-6:N[5a]-2:S[5a]-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[5a]-3:	C[5a]-3:C[5a,6a]-3:	C[5a](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(N[5a]C[5a,6a])(S[5a]C[5a,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)(C[5a]N[5a]S[5a])	N[5a](C[5a]C[5x3,5x5,20x6]S[5a])(C[5a,6a]C[5a,6a]C[6a])	C[5a](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(N[5a]C[5a,6a])(S[5a]C[5a,6a]){2|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(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>}	N[5a](C[5a]C[5x3,5x5,20x6]S[5a])(C[5a,6a]C[5a,6a]C[6a]){1|C<6>,1|H<1>,2|C<3>,4|B<6>}	121.8860	0.000	1	121.8860	0.000	1	121.8860	0.000	1	121.8860	0.000	1	121.8860	0.000	1	121.8860	0.000	1
727	362	643	0:SP2_SP2_SPD6	C[5,6a]	C[5x3,6x5,20x6]	C[6a]	6:3:3:	6:6:6:6:6:3:	3:3:1:	C[5x3,6x5,20x6]-6:C[5,6a]-3:C[6a]-3:	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[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5x3,6x5,20x6]B[5x3,5x5,20x6]3B[5x3,6x5,20x6]C[5x3,5x5,20x6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]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])	C[6a](C[5,6a]C[5x3,6x5,20x6]C[5,6a])(C[6a]C[6a]F)(H)	C[5,6a](C[5x3,6x5,20x6]B[5x3,5x5,20x6]3B[5x3,6x5,20x6]C[5x3,5x5,20x6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<3>,1|F<1>,5|B<6>,5|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>}	C[6a](C[5,6a]C[5x3,6x5,20x6]C[5,6a])(C[6a]C[6a]F)(H){1|C<3>,1|C<6>,1|H<1>,1|O<2>,4|B<6>}	130.4600	0.000	1	130.4600	0.000	1	130.4600	0.000	1	129.2340	1.820	4	129.3728	1.461	5	129.3728	1.461	5
727	362	643	0:SP2_SP2_SPD6	C[5,6a]	C[5x3,6x5,20x6]	C[6a]	6:3:3:	6:6:6:6:6:3:	3:3:1:	C[5x3,6x5,20x6]-6:C[5,6a]-3:C[6a]-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[5,6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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(C[5,6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5x3,6x5,20x6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,5|B<6>,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]4C[5])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5,6a]C[5,6a]C[6a]){1|B<6>,2|C<3>,8|H<1>}	C[6a](C[5,6a]C[5x3,6x5,20x6]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|C<6>,1|H<1>,4|B<6>}	127.3300	0.000	1	127.3300	0.000	1	128.5640	3.046	2	129.2340	1.820	4	129.3728	1.461	5	129.3728	1.461	5
727	362	643	0:SP2_SP2_SPD6	C[5,6a]	C[5x3,6x5,20x6]	C[6a]	6:3:3:	6:6:6:6:6:3:	3:3:1:	C[5x3,6x5,20x6]-6:C[5,6a]-3:C[6a]-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[5,6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	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]4N[5])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5,6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5x3,6x5,20x6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<3>,5|B<6>,6|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]4N[5])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5,6a]C[5,6a]C[6a]){1|B<6>,3|C<3>,6|H<1>}	C[6a](C[5,6a]C[5x3,6x5,20x6]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<6>,1|H<1>,1|N<3>,4|B<6>}	129.7980	0.000	1	129.7980	0.000	1	128.5640	3.046	2	129.2340	1.820	4	129.3728	1.461	5	129.3728	1.461	5
727	362	643	0:SP2_SP2_SPD6	C[5,6a]	C[5x3,6x5,20x6]	C[6a]	6:3:3:	6:6:6:6:6:3:	3:3:1:	C[5x3,6x5,20x6]-6:C[5,6a]-3:C[6a]-3:	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[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5x3,6x5,20x6]B[5x3,5x5,20x6]3B[5x3,6x5,20x6]C[5x3,5x5,20x6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]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]C)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[5,6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5x3,6x5,20x6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5x3,6x5,20x6]B[5x3,5x5,20x6]3B[5x3,6x5,20x6]C[5x3,5x5,20x6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,5|B<6>,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]C)(B[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>}	C[6a](C[5,6a]C[5x3,6x5,20x6]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<6>,1|H<1>,1|O<2>,4|B<6>}	129.3480	0.000	1	129.3480	0.000	1	129.3480	0.000	1	129.2340	1.820	4	129.3728	1.461	5	129.3728	1.461	5
727	362	643	0:SP2_SP2_SPD6	C[5,6a]	C[5x3,6x5,20x6]	C[6a]	6:3:3:	6:6:6:6:6:3:	3:3:2:	C[5x3,6x5,20x6]-6:C[5,6a]-3:C[6a]-3:	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[5,6a]-3:C[6a]-3:O-2:	C[5,6a](C[5x3,6x5,20x6]B[5x3,5x5,20x6]3B[5x3,6x5,20x6]C[5x3,5x5,20x6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]O)	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])	C[6a](C[5,6a]C[5x3,6x5,20x6]C[5,6a])(C[6a]C[6a]H)(OC)	C[5,6a](C[5x3,6x5,20x6]B[5x3,5x5,20x6]3B[5x3,6x5,20x6]C[5x3,5x5,20x6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]O){1|C<3>,5|B<6>,6|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>}	C[6a](C[5,6a]C[5x3,6x5,20x6]C[5,6a])(C[6a]C[6a]H)(OC){1|C<3>,1|C<6>,1|H<1>,1|O<2>,4|B<6>}	129.9280	0.000	1	129.9280	0.000	1	129.9280	0.000	1	129.9280	0.000	1	129.3728	1.461	5	129.3728	1.461	5
727	362	727	0:SP2_SP2_SPD6	C[5a]	C[5x3,5x5,20x6]	C[5a]	6:3:3:	6:6:6:6:6:3:	3:3:1:	C[5x3,5x5,20x6]-6:C[5a]-3:C[5a]-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:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[5a]C[5a]H)(C[5a]N[5a]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)	C[5a](C[5a]C[5x3,5x5,20x6]C[5a])(C[5a]N[5a]H)(H)	C[5a](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[5a]C[5a]H)(C[5a]N[5a]H){1|C<4>,5|B<6>,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[5a]C[5a]2){1|B<6>,1|C<3>,1|N<3>,7|H<1>}	C[5a](C[5a]C[5x3,5x5,20x6]C[5a])(C[5a]N[5a]H)(H){1|C<4>,1|C<6>,1|H<1>,4|B<6>}	127.8660	0.000	1	127.8660	0.000	1	127.8660	0.000	1	126.6615	2.902	2	126.6615	2.902	2	126.6615	2.902	2
727	362	727	0:SP2_SP2_SPD6	C[5a]	C[5x3,5x5,20x6]	C[5a]	6:3:3:	6:6:6:6:6:3:	3:3:1:	C[5x3,5x5,20x6]-6:C[5a]-3:C[5a]-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:C[5a]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[5a]C[5a]H)(C[5a]N[5a]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)	C[5a](C[5a]C[5x3,5x5,20x6]C[5a])(N[5a]C[5a]C)(H)	C[5a](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[5a]C[5a]H)(C[5a]N[5a]H){1|C<4>,5|B<6>,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[5a]C[5a]2){1|B<6>,1|C<3>,1|N<3>,7|H<1>}	C[5a](C[5a]C[5x3,5x5,20x6]C[5a])(N[5a]C[5a]C)(H){1|C<6>,2|H<1>,4|B<6>}	125.4570	0.000	1	125.4570	0.000	1	125.4570	0.000	1	126.6615	2.902	2	126.6615	2.902	2	126.6615	2.902	2
727	362	727	5:SP2_SP2_SPD6	C[5,6a]	C[5x3,6x5,20x6]	C[5,6a]	6:3:2:	6:6:6:6:6:3:	3:4:3:	C[5x3,6x5,20x6]-6:C[5,6a]-3:N[6a]-2:	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[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5x3,6x5,20x6]B[5x3,5x5,20x6]3B[5x3,6x5,20x6]C[5x3,5x5,20x6])(C[5,6a]C[6a]C[5])(N[6a]C[6a,6a])	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])(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(C[5,6a]C[5,6a]N[6a])	C[5,6a](C[5,6a]C[5x3,6x5,20x6]N[6a])(C[5]B[5x3,6x5,20x6]HH)(C[6a]C[6a,6a]C)	C[5,6a](C[5x3,6x5,20x6]B[5x3,5x5,20x6]3B[5x3,6x5,20x6]C[5x3,5x5,20x6])(C[5,6a]C[6a]C[5])(N[6a]C[6a,6a]){2|C<3>,2|C<4>,5|B<6>,5|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])(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(C[5,6a]C[5,6a]N[6a]){1|B<6>,2|C<3>,7|H<1>}	C[5,6a](C[5,6a]C[5x3,6x5,20x6]N[6a])(C[5]B[5x3,6x5,20x6]HH)(C[6a]C[6a,6a]C){1|C<6>,2|C<3>,5|B<6>}	110.7510	0.000	1	110.7510	0.000	1	110.7510	0.000	1	110.7510	0.000	1	109.8137	1.142	6	109.8137	1.142	6
727	362	727	5:SP2_SP2_SPD6	C[5,6a]	C[5x3,6x5,20x6]	C[5,6a]	6:3:3:	6:6:6:6:6:3:	3:2:3:	C[5x3,6x5,20x6]-6:C[5,6a]-3:C[6a]-3:	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[5,6a]-3:O[5]-2:C[6a]-3:	C[5,6a](C[5x3,6x5,20x6]B[5x3,5x5,20x6]3B[5x3,6x5,20x6]C[5x3,5x5,20x6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]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])	C[5,6a](C[5,6a]C[5x3,6x5,20x6]C[6a])(O[5]B[5x3,6x5,20x6])(C[6a]C[6a]H)	C[5,6a](C[5x3,6x5,20x6]B[5x3,5x5,20x6]3B[5x3,6x5,20x6]C[5x3,5x5,20x6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<3>,1|F<1>,5|B<6>,5|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>}	C[5,6a](C[5,6a]C[5x3,6x5,20x6]C[6a])(O[5]B[5x3,6x5,20x6])(C[6a]C[6a]H){1|C<3>,1|C<6>,2|H<1>,5|B<6>}	108.0160	0.000	1	108.0160	0.000	1	108.0160	0.000	1	109.3813	1.455	3	109.8137	1.142	6	109.8137	1.142	6
727	362	727	5:SP2_SP2_SPD6	C[5,6a]	C[5x3,6x5,20x6]	C[5,6a]	6:3:3:	6:6:6:6:6:3:	3:2:3:	C[5x3,6x5,20x6]-6:C[5,6a]-3:C[6a]-3:	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[5,6a]-3:O[5]-2:C[6a]-3:	C[5,6a](C[5x3,6x5,20x6]B[5x3,5x5,20x6]3B[5x3,6x5,20x6]C[5x3,5x5,20x6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]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]C)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]C[5x3,6x5,20x6]C[6a])(O[5]B[5x3,6x5,20x6])(C[6a]C[6a]H)	C[5,6a](C[5x3,6x5,20x6]B[5x3,5x5,20x6]3B[5x3,6x5,20x6]C[5x3,5x5,20x6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,5|B<6>,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]C)(B[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>}	C[5,6a](C[5,6a]C[5x3,6x5,20x6]C[6a])(O[5]B[5x3,6x5,20x6])(C[6a]C[6a]H){1|C<3>,1|C<6>,2|H<1>,5|B<6>}	109.8250	0.000	1	109.8250	0.000	1	110.0640	0.114	2	109.3813	1.455	3	109.8137	1.142	6	109.8137	1.142	6
727	362	727	5:SP2_SP2_SPD6	C[5,6a]	C[5x3,6x5,20x6]	C[5,6a]	6:3:3:	6:6:6:6:6:3:	3:2:3:	C[5x3,6x5,20x6]-6:C[5,6a]-3:C[6a]-3:	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[5,6a]-3:O[5]-2:C[6a]-3:	C[5,6a](C[5x3,6x5,20x6]B[5x3,5x5,20x6]3B[5x3,6x5,20x6]C[5x3,5x5,20x6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]O)	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])	C[5,6a](C[5,6a]C[5x3,6x5,20x6]C[6a])(O[5]B[5x3,6x5,20x6])(C[6a]C[6a]H)	C[5,6a](C[5x3,6x5,20x6]B[5x3,5x5,20x6]3B[5x3,6x5,20x6]C[5x3,5x5,20x6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]O){1|C<3>,5|B<6>,6|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>}	C[5,6a](C[5,6a]C[5x3,6x5,20x6]C[6a])(O[5]B[5x3,6x5,20x6])(C[6a]C[6a]H){1|C<3>,1|C<6>,1|H<1>,1|O<2>,5|B<6>}	110.3030	0.000	1	110.3030	0.000	1	110.0640	0.114	2	109.3813	1.455	3	109.8137	1.142	6	109.8137	1.142	6
727	362	727	5:SP2_SP2_SPD6	C[5,6a]	C[5x3,6x5,20x6]	C[5,6a]	6:3:3:	6:6:6:6:6:3:	3:3:3:	C[5x3,6x5,20x6]-6:C[5,6a]-3:C[6a]-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[5,6a]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	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]4N[5])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]C[5x3,6x5,20x6]C[6a])(N[5]C[5x3,6x5,20x6]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<3>,5|B<6>,6|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]4N[5])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5,6a]C[5,6a]C[6a]){1|B<6>,3|C<3>,6|H<1>}	C[5,6a](C[5,6a]C[5x3,6x5,20x6]C[6a])(N[5]C[5x3,6x5,20x6]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>,6|B<6>}	109.1880	0.000	1	109.1880	0.000	1	109.1880	0.000	1	109.1880	0.000	1	109.8137	1.142	6	109.8137	1.142	6
727	362	727	5:SP2_SP2_SPD6	C[5,6a]	C[5x3,6x5,20x6]	C[5,6a]	6:3:3:	6:6:6:6:6:3:	3:4:3:	C[5x3,6x5,20x6]-6:C[5,6a]-3:C[6a]-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[5,6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]C[5x3,6x5,20x6]C[6a])(C[5]C[5x3,6x5,20x6]HH)(C[6a]C[6a]H)	C[5,6a](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,5|B<6>,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]4C[5])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5,6a]C[5,6a]C[6a]){1|B<6>,2|C<3>,8|H<1>}	C[5,6a](C[5,6a]C[5x3,6x5,20x6]C[6a])(C[5]C[5x3,6x5,20x6]HH)(C[6a]C[6a]H){1|C<3>,2|H<1>,6|B<6>}	110.7990	0.000	1	110.7990	0.000	1	110.7990	0.000	1	110.7990	0.000	1	109.8137	1.142	6	109.8137	1.142	6
727	371	474	0:SP2_SP2_SP3	C[5,6,6a]	N[6a]	C[5,5,6]	3:4:2:	3:3:	3:4:3:1:	C[5,6,6a]-3:C[5,5,6]-4:N[6a]-2:	C[5,6,6a]-3:C[6a,6a]-3:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-3:H-1:	C[5,6,6a](C[5,6,6a]C[5,5,6]N[6a])(C[5,5,6]C[5,5]C[5,6]H)(N[6a]C[6a,6a])	N[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a,6a]C[6a,6a]C[6a])	C[5,5,6](C[5,6,6a]C[5,6,6a]N[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]C)(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]N[6a])(C[5,5,6]C[5,5]C[5,6]H)(N[6a]C[6a,6a]){1|C<4>,3|C<3>,3|H<1>}	N[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a,6a]C[6a,6a]C[6a]){1|N<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]N[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]C)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	130.2250	0.000	1	130.2250	0.000	1	130.2250	0.000	1	130.2250	0.000	1	129.1755	0.591	26	125.7411	4.858	125
727	371	474	0:SP2_SP2_SP3	C[5,6,6a]	N[6a]	C[5,5,6]	3:4:2:	3:3:	3:4:4:1:	C[5,6,6a]-3:C[5,5,6]-4:N[6a]-2:	C[5,6,6a]-3:C[5,6,6a]-3:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,6,6a](C[5,6,6a]C[5,5,6]N[6a])(C[5,5,6]C[5,5]C[5,6]H)(N[6a]C[5,6,6a])	N[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])2	C[5,5,6](C[5,6,6a]C[5,6,6a]N[6a])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]N[6a])(C[5,5,6]C[5,5]C[5,6]H)(N[6a]C[5,6,6a]){1|C<3>,2|H<1>,5|C<4>}	N[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])2{1|H<1>,1|N<2>,7|C<4>}	C[5,5,6](C[5,6,6a]C[5,6,6a]N[6a])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	128.6510	0.000	1	128.8500	0.079	2	128.8500	0.079	2	129.3872	0.330	5	129.1755	0.591	26	125.7411	4.858	125
727	371	474	0:SP2_SP2_SP3	C[5,6,6a]	N[6a]	C[5,5,6]	3:4:2:	3:3:	3:4:4:1:	C[5,6,6a]-3:C[5,5,6]-4:N[6a]-2:	C[5,6,6a]-3:C[5,6,6a]-3:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,6,6a](C[5,6,6a]C[5,5,6]N[6a])(C[5,5,6]C[5,5]C[5,6]H)(N[6a]C[5,6,6a])	N[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])2	C[5,5,6](C[5,6,6a]C[5,6,6a]N[6a])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]N[6a])(C[5,5,6]C[5,5]C[5,6]H)(N[6a]C[5,6,6a]){1|C<3>,2|H<1>,5|C<4>}	N[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])2{1|N<2>,2|H<1>,6|C<4>}	C[5,5,6](C[5,6,6a]C[5,6,6a]N[6a])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	129.0490	0.000	1	128.8500	0.079	2	128.8500	0.079	2	129.3872	0.330	5	129.1755	0.591	26	125.7411	4.858	125
727	371	474	0:SP2_SP2_SP3	C[5,6,6a]	N[6a]	C[5,5,6]	3:4:2:	3:3:	3:4:4:1:	C[5,6,6a]-3:C[5,5,6]-4:N[6a]-2:	C[5,6,6a]-3:C[6a,6a]-3:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,6,6a](C[5,6,6a]C[5,5,6]N[6a])(C[5,5,6]C[5,5]C[5,6]H)(N[6a]C[6a,6a])	N[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a,6a]C[6a,6a]C[6a])	C[5,5,6](C[5,6,6a]C[5,6,6a]N[6a])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]N[6a])(C[5,5,6]C[5,5]C[5,6]H)(N[6a]C[6a,6a]){2|C<3>,2|H<1>,4|C<4>}	N[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a,6a]C[6a,6a]C[6a]){1|N<2>,2|C<3>,2|H<1>,3|C<4>}	C[5,5,6](C[5,6,6a]C[5,6,6a]N[6a])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	129.6270	0.440	2	129.6270	0.193	2	129.6270	0.193	2	129.3872	0.330	5	129.1755	0.591	26	125.7411	4.858	125
727	371	474	0:SP2_SP2_SP3	C[5,6,6a]	N[6a]	C[5,5,6]	3:4:2:	3:3:	3:4:4:1:	C[5,6,6a]-3:C[5,5,6]-4:N[6a]-2:	C[5,6,6a]-3:C[6a]-3:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,6,6a](C[5,6,6a]C[5,5,6]N[6a])(C[5,5,6]C[5,5]C[5,6]H)(N[6a]C[6a])	N[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]N[6a])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]N[6a])(C[5,5,6]C[5,5]C[5,6]H)(N[6a]C[6a]){1|C<3>,3|H<1>,4|C<4>}	N[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<4>}	C[5,5,6](C[5,6,6a]C[5,6,6a]N[6a])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	129.9820	0.000	1	129.9820	0.000	1	129.9820	0.000	1	129.3872	0.330	5	129.1755	0.591	26	125.7411	4.858	125
727	371	474	0:SP2_SP2_SP3	C[5,6,6a]	N[6a]	C[5,5,6]	3:4:2:	3:3:	3:4:4:4:	C[5,6,6a]-3:C[5,5,6]-4:N[6a]-2:	C[5,6,6a]-3:C[5,6,6a]-3:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-4:C-4:	C[5,6,6a](C[5,6,6a]C[5,5,6]N[6a])(C[5,5,6]C[5,5]C[5,6]C)(N[6a]C[5,6,6a])	N[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])2	C[5,5,6](C[5,6,6a]C[5,6,6a]N[6a])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3)	C[5,6,6a](C[5,6,6a]C[5,5,6]N[6a])(C[5,5,6]C[5,5]C[5,6]C)(N[6a]C[5,6,6a]){1|C<3>,3|H<1>,4|C<4>}	N[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])2{1|H<1>,1|N<2>,7|C<4>}	C[5,5,6](C[5,6,6a]C[5,6,6a]N[6a])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3){1|C<3>,1|N<2>,3|H<1>}	127.7260	0.000	1	128.2525	0.554	2	128.2525	0.554	2	128.2028	0.622	6	129.1755	0.591	26	125.7411	4.858	125
727	371	474	0:SP2_SP2_SP3	C[5,6,6a]	N[6a]	C[5,5,6]	3:4:2:	3:3:	3:4:4:4:	C[5,6,6a]-3:C[5,5,6]-4:N[6a]-2:	C[5,6,6a]-3:C[5,6,6a]-3:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-4:C-4:	C[5,6,6a](C[5,6,6a]C[5,5,6]N[6a])(C[5,5,6]C[5,5]C[5,6]C)(N[6a]C[5,6,6a])	N[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])2	C[5,5,6](C[5,6,6a]C[5,6,6a]N[6a])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3)	C[5,6,6a](C[5,6,6a]C[5,5,6]N[6a])(C[5,5,6]C[5,5]C[5,6]C)(N[6a]C[5,6,6a]){1|C<3>,3|H<1>,4|C<4>}	N[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])2{1|N<2>,8|C<4>}	C[5,5,6](C[5,6,6a]C[5,6,6a]N[6a])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3){1|C<3>,1|N<2>,3|H<1>}	128.7790	0.000	1	128.2525	0.554	2	128.2525	0.554	2	128.2028	0.622	6	129.1755	0.591	26	125.7411	4.858	125
727	371	474	0:SP2_SP2_SP3	C[5,6,6a]	N[6a]	C[5,5,6]	3:4:2:	3:3:	3:4:4:4:	C[5,6,6a]-3:C[5,5,6]-4:N[6a]-2:	C[5,6,6a]-3:C[6a,6a]-3:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-4:C-4:	C[5,6,6a](C[5,6,6a]C[5,5,6]N[6a])(C[5,5,6]C[5,5]C[5,6]C)(N[6a]C[6a,6a])	N[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a,6a]C[6a,6a]C[6a])	C[5,5,6](C[5,6,6a]C[5,6,6a]N[6a])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3)	C[5,6,6a](C[5,6,6a]C[5,5,6]N[6a])(C[5,5,6]C[5,5]C[5,6]C)(N[6a]C[6a,6a]){2|C<3>,3|C<4>,3|H<1>}	N[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,1|N<2>,2|C<3>,4|C<4>}	C[5,5,6](C[5,6,6a]C[5,6,6a]N[6a])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3){1|C<3>,1|N<2>,3|H<1>}	128.5420	0.136	2	128.5420	0.018	2	128.5420	0.018	2	128.2028	0.622	6	129.1755	0.591	26	125.7411	4.858	125
727	371	474	0:SP2_SP2_SP3	C[5,6,6a]	N[6a]	C[5,5,6]	3:4:2:	3:3:	3:4:4:4:	C[5,6,6a]-3:C[5,5,6]-4:N[6a]-2:	C[5,6,6a]-3:C[6a]-3:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-4:C-4:	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]C)(N[6a]C[6a])	N[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]N[6a]N)	C[5,5,6](C[5,6,6a]C[5,6,6a]N[6a])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]C)(N[6a]C[6a]){1|C<3>,1|N<2>,1|N<3>,3|C<4>,3|H<1>}	N[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]N[6a]N){1|C<3>,4|C<4>}	C[5,5,6](C[5,6,6a]C[5,6,6a]N[6a])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3){2|C<3>,3|H<1>}	126.8140	0.000	1	126.8140	0.000	1	127.8140	2.000	2	128.2028	0.622	6	129.1755	0.591	26	125.7411	4.858	125
727	371	474	0:SP2_SP2_SP3	C[5,6,6a]	N[6a]	C[5,5,6]	3:4:2:	3:3:	3:4:4:4:	C[5,6,6a]-3:C[5,5,6]-4:N[6a]-2:	C[5,6,6a]-3:C[6a]-3:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-4:C-4:	C[5,6,6a](C[5,6,6a]C[5,5,6]N[6a])(C[5,5,6]C[5,5]C[5,6]C)(N[6a]C[6a])	N[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]N[6a])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3)	C[5,6,6a](C[5,6,6a]C[5,5,6]N[6a])(C[5,5,6]C[5,5]C[5,6]C)(N[6a]C[6a]){1|C<3>,3|C<4>,4|H<1>}	N[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H){1|H<1>,1|N<2>,4|C<4>}	C[5,5,6](C[5,6,6a]C[5,6,6a]N[6a])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3){1|C<3>,1|N<2>,3|H<1>}	128.8140	0.000	1	128.8140	0.000	1	127.8140	2.000	2	128.2028	0.622	6	129.1755	0.591	26	125.7411	4.858	125
727	371	474	0:SP2_SP2_SP3	C[5,6,6a]	N[6a]	C[5,5,6]	4:3:2:	3:3:	3:3:4:1:	C[5,5,6]-4:C[5,6,6a]-3:N[6a]-2:	C[5,6,6a]-3:C[6a,6a]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,5]-4:H-1:	C[5,6,6a](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6,6a]C[5,5,6]N[6a])(N[6a]C[6a,6a])	N[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a,6a]C[6a,6a]C[6a])	C[5,5,6](C[5,6,6a]C[5,6,6a]N[6a])(C[5,6,6a]C[5,6,6a]2)(C[5,5]C[5,5,6]HH)(H)	C[5,6,6a](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6,6a]C[5,5,6]N[6a])(N[6a]C[6a,6a]){3|H<1>,4|C<3>}	N[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a,6a]C[6a,6a]C[6a]){1|N<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]N[6a])(C[5,6,6a]C[5,6,6a]2)(C[5,5]C[5,5,6]HH)(H){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	129.5908	0.535	6	129.5908	0.287	6	129.5908	0.287	6	129.5908	0.287	6	129.1755	0.591	26	125.7411	4.858	125
727	371	474	0:SP2_SP2_SP3	C[5,6,6a]	N[6a]	C[5,5,6]	4:3:2:	3:3:	3:4:4:1:	C[5,5,6]-4:C[5,6,6a]-3:N[6a]-2:	C[5,6,6a]-3:C[6a,6a]-3:	C[5,6,6a]-3:C[5,6,6]-4:C[5,5]-4:Cl-1:	C[5,6,6a](C[5,5,6]C[5,6,6]C[5,5]Cl)(C[5,6,6a]C[5,5,6]N[6a])(N[6a]C[6a,6a])	N[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a,6a]C[6a,6a]C[6a])	C[5,5,6](C[5,6,6a]C[5,6,6a]N[6a])(C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]OO)(Cl)	C[5,6,6a](C[5,5,6]C[5,6,6]C[5,5]Cl)(C[5,6,6a]C[5,5,6]N[6a])(N[6a]C[6a,6a]){1|Cl<1>,1|H<1>,2|C<3>,2|C<4>,2|O<2>}	N[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a,6a]C[6a,6a]C[6a]){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>,3|C<4>}	C[5,5,6](C[5,6,6a]C[5,6,6a]N[6a])(C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]OO)(Cl){1|Cl<1>,1|C<3>,1|N<2>,2|C<4>,3|H<1>}	129.3301	0.314	8	129.3301	0.098	8	129.3301	0.098	8	129.3301	0.098	8	129.1755	0.591	26	125.7411	4.858	125
727	371	474	0:SP2_SP2_SP3	C[5,6a]	N[6a]	C[5,5]	4:3:2:	3:3:	3:3:3:3:	C[5,5]-4:C[5,6a]-3:N[6a]-2:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[5]-3:N[5]-3:	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(N[6a]C[6a])	N[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[5]N[5]O)(N[5]C[5]C)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(N[6a]C[6a]){1|C<4>,1|N<3>,2|H<1>,2|O<1>,3|C<3>}	N[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H){1|H<1>,1|N<3>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[5]N[5]O)(N[5]C[5]C){1|C<4>,1|H<1>,1|N<2>,1|O<1>,3|C<3>}	123.8510	0.000	1	123.8510	0.000	1	123.8510	0.000	1	123.8510	0.000	1	125.2678	1.405	33	125.7411	4.858	125
727	371	474	0:SP2_SP2_SP3	C[5,6a]	N[6a]	C[5,5]	4:3:2:	3:3:	3:3:3:4:	C[5,5]-4:C[5,6a]-3:N[6a]-2:	C[6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5,6a]-3:N[5,5]-3:C[5,5]-4:	C[5,6a](C[5,5]C[5,6a]C[5,5]N[5,5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5,5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5,5]C[5,5]C[5])(C[5,5]C[5]3)	C[5,6a](C[5,5]C[5,6a]C[5,5]N[5,5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a]){3|C<4>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5,5]){1|C<4>,1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5,5]C[5,5]C[5])(C[5,5]C[5]3){1|N<2>,2|C<4>,2|O<1>,5|H<1>,6|C<3>}	126.5560	0.000	1	126.5560	0.000	1	126.5560	0.000	1	125.8273	0.324	9	125.2678	1.405	33	125.7411	4.858	125
727	371	474	0:SP2_SP2_SP3	C[5,6a]	N[6a]	C[5,5]	4:3:2:	3:3:	3:3:3:4:	C[5,5]-4:C[5,6a]-3:N[6a]-2:	C[6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5,6a]-3:N[5,5]-3:C[5]-4:	C[5,6a](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5,5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]2H)	C[5,6a](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a]){1|H<1>,3|C<4>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5,5]){1|C<4>,1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]2H){1|N<2>,1|O<2>,2|C<4>,5|C<3>,5|H<1>}	126.4210	0.000	1	126.3240	0.019	2	125.7362	0.285	8	125.8273	0.324	9	125.2678	1.405	33	125.7411	4.858	125
727	371	474	0:SP2_SP2_SP3	C[5,6a]	N[6a]	C[5,5]	4:3:2:	3:3:	3:3:3:4:	C[5,5]-4:C[5,6a]-3:N[6a]-2:	C[6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5,6a]-3:N[5,5]-3:C[5]-4:	C[5,6a](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5,5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]2H)	C[5,6a](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a]){1|H<1>,4|C<3>,4|C<4>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5,5]){1|C<4>,1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]2H){1|Fe<10>,1|N<2>,4|C<3>,4|C<4>,5|H<1>}	126.2270	0.000	1	126.3240	0.019	2	125.7362	0.285	8	125.8273	0.324	9	125.2678	1.405	33	125.7411	4.858	125
727	371	474	0:SP2_SP2_SP3	C[5,6a]	N[6a]	C[5,5]	4:3:2:	3:3:	3:3:3:4:	C[5,5]-4:C[5,6a]-3:N[6a]-2:	C[6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5,6a]-3:N[5,5]-3:C[5]-4:	C[5,6a](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5,5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]CC)	C[5,6a](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a]){1|C<2>,3|C<4>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5,5]){1|C<4>,1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]CC){1|C<4>,1|N<2>,1|S<2>,4|C<3>,5|H<1>}	125.0720	0.000	1	125.0720	0.000	1	125.7362	0.285	8	125.8273	0.324	9	125.2678	1.405	33	125.7411	4.858	125
727	371	474	0:SP2_SP2_SP3	C[5,6a]	N[6a]	C[5,5]	4:3:2:	3:3:	3:3:3:4:	C[5,5]-4:C[5,6a]-3:N[6a]-2:	C[6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5,6a]-3:N[5,5]-3:C[5]-4:	C[5,6a](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5,5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]CH)	C[5,6a](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a]){1|H<1>,3|C<4>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5,5]){1|C<4>,1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]CH){1|C<4>,1|N<2>,1|S<2>,4|C<3>,5|H<1>}	125.4890	0.461	2	125.3820	0.141	3	125.7362	0.285	8	125.8273	0.324	9	125.2678	1.405	33	125.7411	4.858	125
727	371	474	0:SP2_SP2_SP3	C[5,6a]	N[6a]	C[5,5]	4:3:2:	3:3:	3:3:3:4:	C[5,5]-4:C[5,6a]-3:N[6a]-2:	C[6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5,6a]-3:N[5,5]-3:C[5]-4:	C[5,6a](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5,5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]CH)	C[5,6a](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a]){1|H<1>,3|C<4>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5,5]){1|C<4>,1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]CH){1|N<2>,3|C<3>,3|C<4>,5|H<1>}	125.1680	0.000	1	125.3820	0.141	3	125.7362	0.285	8	125.8273	0.324	9	125.2678	1.405	33	125.7411	4.858	125
727	371	474	0:SP2_SP2_SP3	C[5,6a]	N[6a]	C[5,5]	4:3:2:	3:3:	3:3:3:4:	C[5,5]-4:C[5,6a]-3:N[6a]-2:	C[6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5,6a]-3:N[5,5]-3:C[5]-4:	C[5,6a](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5,5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)	C[5,6a](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a]){1|H<1>,3|C<4>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5,5]){1|C<4>,1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H){1|C<4>,1|N<2>,1|N<3>,1|S<2>,5|C<3>,5|H<1>}	125.8830	0.000	1	126.0120	0.033	2	125.7362	0.285	8	125.8273	0.324	9	125.2678	1.405	33	125.7411	4.858	125
727	371	474	0:SP2_SP2_SP3	C[5,6a]	N[6a]	C[5,5]	4:3:2:	3:3:	3:3:3:4:	C[5,5]-4:C[5,6a]-3:N[6a]-2:	C[6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5,6a]-3:N[5,5]-3:C[5]-4:	C[5,6a](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5,5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)	C[5,6a](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a]){1|H<1>,3|C<4>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5,5]){1|C<4>,1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H){1|N<2>,1|N<3>,2|C<4>,5|C<3>,5|H<1>}	126.1410	0.000	1	126.0120	0.033	2	125.7362	0.285	8	125.8273	0.324	9	125.2678	1.405	33	125.7411	4.858	125
727	371	474	0:SP2_SP2_SP3	C[5,6a]	N[6a]	C[5,5]	4:3:2:	3:3:	3:3:4:3:	C[5,5]-4:C[5,6a]-3:N[6a]-2:	C[6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5,6a]-3:C[5,6]-4:N[5]-3:	C[5,6a](C[5,5]C[5,6a]C[5,6]N[5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5,5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[5,6]C[5]C[6]2)(N[5]C[5]C)	C[5,6a](C[5,5]C[5,6a]C[5,6]N[5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a]){4|C<4>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5,5]){1|C<4>,1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[5,6]C[5]C[6]2)(N[5]C[5]C){1|C<4>,1|N<2>,1|N<3>,1|O<1>,4|C<3>,6|H<1>}	126.1705	0.269	2	126.1705	0.073	2	126.1705	0.073	2	126.0454	0.119	8	125.2678	1.405	33	125.7411	4.858	125
727	371	474	0:SP2_SP2_SP3	C[5,6a]	N[6a]	C[5,5]	4:3:2:	3:3:	3:3:4:3:	C[5,5]-4:C[5,6a]-3:N[6a]-2:	C[6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5,6a]-3:C[5]-4:N[5]-3:	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5,5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[5]C[5]CH)(N[5]C[5]C)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a]){1|H<1>,3|C<4>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5,5]){1|C<4>,1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[5]C[5]CH)(N[5]C[5]C){1|C<4>,1|N<2>,3|C<3>,4|H<1>}	125.8030	0.000	1	125.6703	0.014	3	126.0037	0.143	6	126.0454	0.119	8	125.2678	1.405	33	125.7411	4.858	125
727	371	474	0:SP2_SP2_SP3	C[5,6a]	N[6a]	C[5,5]	4:3:2:	3:3:	3:3:4:3:	C[5,5]-4:C[5,6a]-3:N[6a]-2:	C[6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5,6a]-3:C[5]-4:N[5]-3:	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5,5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[5]C[5]CH)(N[5]C[5]C)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a]){1|H<1>,3|C<4>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5,5]){1|C<4>,1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[5]C[5]CH)(N[5]C[5]C){1|N<2>,4|C<3>,4|H<1>}	125.6040	0.041	2	125.6703	0.014	3	126.0037	0.143	6	126.0454	0.119	8	125.2678	1.405	33	125.7411	4.858	125
727	371	474	0:SP2_SP2_SP3	C[5,6a]	N[6a]	C[5,5]	4:3:2:	3:3:	3:3:4:3:	C[5,5]-4:C[5,6a]-3:N[6a]-2:	C[6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5,6a]-3:C[5]-4:N[5]-3:	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5,5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[5]C[5]CH)(N[5]C[5]H)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a]){2|C<4>,2|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5,5]){1|C<4>,1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[5]C[5]CH)(N[5]C[5]H){1|N<2>,2|C<4>,3|C<3>,3|H<1>}	126.2160	0.000	1	126.2160	0.000	1	126.0037	0.143	6	126.0454	0.119	8	125.2678	1.405	33	125.7411	4.858	125
727	371	474	0:SP2_SP2_SP3	C[5,6a]	N[6a]	C[5,5]	4:3:2:	3:3:	3:3:4:3:	C[5,5]-4:C[5,6a]-3:N[6a]-2:	C[6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5,6a]-3:C[5]-4:N[5]-3:	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5,5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[5]C[5]CN)(N[5]C[5]C)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a]){1|N<3>,3|C<4>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5,5]){1|C<4>,1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[5]C[5]CN)(N[5]C[5]C){1|N<2>,4|C<3>,4|H<1>}	126.3940	0.000	1	126.3940	0.000	1	126.0037	0.143	6	126.0454	0.119	8	125.2678	1.405	33	125.7411	4.858	125
727	371	474	0:SP2_SP2_SP3	C[5,6a]	N[6a]	C[5,5]	4:3:2:	3:3:	3:3:4:3:	C[5,5]-4:C[5,6a]-3:N[6a]-2:	C[6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5,6a]-3:C[5]-4:N[5]-3:	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5,5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[5]C[6a]C[5]H)(N[5]C[5]H)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a]){2|C<4>,2|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5,5]){1|C<4>,1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[5]C[6a]C[5]H)(N[5]C[5]H){1|C<4>,1|N<2>,1|N<3>,3|H<1>,5|C<3>}	126.4010	0.000	1	126.4010	0.000	1	126.0037	0.143	6	126.0454	0.119	8	125.2678	1.405	33	125.7411	4.858	125
727	371	474	0:SP2_SP2_SP3	C[5,6a]	N[6a]	C[5,5]	4:3:2:	3:3:	3:4:4:1:	C[5,5]-4:C[5,6a]-3:N[6a]-2:	C[6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5,5])	C[5,5](C[5,6a]C[5,6a]N[6a])(C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]BrH)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(N[6a]C[6a,6a]){2|Br<1>,4|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5,5]){1|Br<1>,1|H<1>,3|C<3>,3|C<4>}	C[5,5](C[5,6a]C[5,6a]N[6a])(C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]BrH)(H){1|Br<1>,1|H<1>,1|N<2>,3|C<3>}	123.4480	0.887	4	123.4117	0.491	6	123.3946	0.411	7	123.3946	0.411	7	125.2678	1.405	33	125.7411	4.858	125
727	371	474	0:SP2_SP2_SP3	C[5,6a]	N[6a]	C[5,5]	4:3:2:	3:3:	3:4:4:1:	C[5,5]-4:C[5,6a]-3:N[6a]-2:	C[6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5,5])	C[5,5](C[5,6a]C[5,6a]N[6a])(C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]BrH)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(N[6a]C[6a,6a]){2|Br<1>,4|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5,5]){2|H<1>,3|C<3>,3|C<4>}	C[5,5](C[5,6a]C[5,6a]N[6a])(C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]BrH)(H){1|Br<1>,1|H<1>,1|N<2>,3|C<3>}	123.3390	0.276	2	123.4117	0.491	6	123.3946	0.411	7	123.3946	0.411	7	125.2678	1.405	33	125.7411	4.858	125
727	371	474	0:SP2_SP2_SP3	C[5,6a]	N[6a]	C[5,5]	4:3:2:	3:3:	3:4:4:1:	C[5,5]-4:C[5,6a]-3:N[6a]-2:	C[6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5,5])	C[5,5](C[5,6a]C[5,6a]N[6a])(C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(N[6a]C[6a,6a]){4|C<3>,6|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5,5]){1|Br<1>,1|H<1>,3|C<3>,3|C<4>}	C[5,5](C[5,6a]C[5,6a]N[6a])(C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(H){1|N<2>,2|H<1>,3|C<3>}	123.2920	0.000	1	123.2920	0.000	1	123.3946	0.411	7	123.3946	0.411	7	125.2678	1.405	33	125.7411	4.858	125
727	371	474	0:SP2_SP2_SP3	C[5,6a]	N[6a]	C[5,5]	4:3:2:	3:3:	4:3:3:2:	C[5,5]-4:C[5,6a]-3:N[6a]-2:	C[6a,6a]-3:C[5,6a]-3:	C[3,5]-4:C[5,6a]-3:C[5,6a]-3:N[5]-2:	C[5,6a](C[5,5]C[5,6a]C[3,5]N[5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5,5])	C[5,5](C[3,5]C[3,5]C[6a]C[3])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5]C[5])	C[5,6a](C[5,5]C[5,6a]C[3,5]N[5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a]){2|C<4>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5,5]){1|C<4>,1|H<1>,2|N<2>,4|C<3>}	C[5,5](C[3,5]C[3,5]C[6a]C[3])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5]C[5]){1|N<2>,2|H<1>,8|C<3>}	125.1995	0.012	2	125.1995	0.000	2	125.1995	0.000	2	125.1995	0.000	2	125.2678	1.405	33	125.7411	4.858	125
727	371	474	0:SP2_SP2_SP3	C[5,6a]	N[6a]	C[5,5]	4:3:2:	3:3:	4:3:3:3:	C[5,5]-4:C[5,6a]-3:N[6a]-2:	C[6a,6a]-3:C[5,6a]-3:	C[3,5]-4:C[5,6a]-3:C[5,6a]-3:N[5,5]-3:	C[5,6a](C[5,5]C[5,6a]C[3,5]N[5,5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5,5])	C[5,5](C[3,5]C[3,5]C[6a]C[3])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5,5]C[5,5]C[5])	C[5,6a](C[5,5]C[5,6a]C[3,5]N[5,5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a]){4|C<4>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5,5]){1|C<4>,1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[5,5](C[3,5]C[3,5]C[6a]C[3])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5,5]C[5,5]C[5]){1|N<2>,2|C<4>,5|H<1>,7|C<3>}	126.5810	0.000	1	126.5810	0.000	1	126.5810	0.000	1	125.5750	0.759	3	125.2678	1.405	33	125.7411	4.858	125
727	371	474	0:SP2_SP2_SP3	C[5,6a]	N[6a]	C[5,5]	4:3:2:	3:3:	4:3:3:3:	C[5,5]-4:C[5,6a]-3:N[6a]-2:	C[6a,6a]-3:C[5,6a]-3:	C[5,6]-4:C[5,6a]-3:C[5,6a]-3:N[5,5]-3:	C[5,6a](C[5,5]C[5,6a]C[5,6]N[5,5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5,5])	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5,5]C[5,5]C[5])	C[5,6a](C[5,5]C[5,6a]C[5,6]N[5,5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a]){1|H<1>,3|C<4>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5,5]){1|C<4>,1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5,5]C[5,5]C[5]){1|N<2>,1|N<3>,1|S<2>,2|C<4>,4|H<1>,5|C<3>}	125.0660	0.000	1	125.0720	0.000	2	125.0720	0.000	2	125.5750	0.759	3	125.2678	1.405	33	125.7411	4.858	125
727	371	474	0:SP2_SP2_SP3	C[5,6a]	N[6a]	C[5,5]	4:3:2:	3:3:	4:3:3:3:	C[5,5]-4:C[5,6a]-3:N[6a]-2:	C[6a,6a]-3:C[5,6a]-3:	C[5,6]-4:C[5,6a]-3:C[5,6a]-3:N[5,5]-3:	C[5,6a](C[5,5]C[5,6a]C[5,6]N[5,5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5,5])	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5,5]C[5,5]C[5])	C[5,6a](C[5,5]C[5,6a]C[5,6]N[5,5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a]){1|H<1>,3|C<4>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5,5]){1|C<4>,1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5,5]C[5,5]C[5]){1|N<2>,1|N<3>,3|C<4>,4|H<1>,5|C<3>}	125.0780	0.000	1	125.0720	0.000	2	125.0720	0.000	2	125.5750	0.759	3	125.2678	1.405	33	125.7411	4.858	125
727	371	474	0:SP2_SP2_SP3	C[5,6a]	N[6a]	C[5,5]	4:3:2:	3:3:	4:3:3:4:	C[5,5]-4:C[5,6a]-3:N[6a]-2:	C[6a,6a]-3:C[5,6a]-3:	C[5,5]-4:C[5,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5,5])	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[5]C[5]CH)	C[5,6a](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a]){1|C<4>,1|H<1>,1|N<3>,7|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5,5]){1|H<1>,1|N<2>,2|C<4>,4|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[5]C[5]CH){1|C<4>,1|N<2>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	126.1670	0.000	1	126.1670	0.000	1	126.4645	0.177	2	126.0973	0.493	3	125.2678	1.405	33	125.7411	4.858	125
727	371	474	0:SP2_SP2_SP3	C[5,6a]	N[6a]	C[5,5]	4:3:2:	3:3:	4:3:3:4:	C[5,5]-4:C[5,6a]-3:N[6a]-2:	C[6a,6a]-3:C[5,6a]-3:	C[5,5]-4:C[5,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5,5])	C[5,5](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[5]C[5,5]CH)	C[5,6a](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a]){1|C<4>,1|H<1>,1|N<3>,7|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5,5]){1|H<1>,1|N<2>,2|C<4>,4|C<3>}	C[5,5](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[5]C[5,5]CH){1|N<2>,1|N<3>,1|O<1>,2|C<4>,2|H<1>,5|C<3>}	126.7620	0.000	1	126.7620	0.000	1	126.4645	0.177	2	126.0973	0.493	3	125.2678	1.405	33	125.7411	4.858	125
727	371	474	0:SP2_SP2_SP3	C[5,6a]	N[6a]	C[5,5]	4:3:2:	3:3:	4:3:3:4:	C[5,5]-4:N[5,6a]-3:N[6a]-2:	C[6a,6a]-3:C[5,6a]-3:	C[5,5]-4:C[5,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a](C[5,5]C[5,6a]C[5,5]C[5])(N[5,6a]C[5,6a]C[6a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]N[5,6a]C[5,5])	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5,6a]N[5,6a]N[6a])(C[5]C[5]CH)	C[5,6a](C[5,5]C[5,6a]C[5,5]C[5])(N[5,6a]C[5,6a]C[6a])(N[6a]C[6a,6a]){1|C<4>,1|H<1>,1|N<3>,1|O<1>,7|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]N[5,6a]C[5,5]){1|H<1>,2|C<4>,5|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5,6a]N[5,6a]N[6a])(C[5]C[5]CH){1|C<4>,1|N<3>,1|O<1>,3|H<1>,6|C<3>}	125.3630	0.000	1	125.3630	0.000	1	125.3630	0.000	1	126.0973	0.493	3	125.2678	1.405	33	125.7411	4.858	125
727	371	474	0:SP2_SP2_SP3	C[5,6a]	N[6a]	C[5,6]	4:3:2:	3:3:	3:3:3:3:	C[5,6]-4:C[5,6a]-3:N[6a]-2:	C[6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5,6a]-3:C[5a,6]-3:C[6]-3:	C[5,6a](C[5,6]C[5,6a]C[5a,6]C[6])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5,6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[5a,6]C[5a,6]C[5a])(C[6]C[6]C)	C[5,6a](C[5,6]C[5,6a]C[5a,6]C[6])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a]){1|C<2>,7|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5,6]){1|H<1>,1|N<2>,6|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[5a,6]C[5a,6]C[5a])(C[6]C[6]C){1|C<4>,1|H<1>,1|O<2>,2|N<2>,2|N<3>,3|C<3>}	126.3580	0.000	1	126.3580	0.000	1	126.3580	0.000	1	126.3580	0.000	1	125.2977	1.959	4	125.7411	4.858	125
727	371	474	0:SP2_SP2_SP3	C[5,6a]	N[6a]	C[5,6]	4:3:2:	3:3:	3:3:3:4:	C[5,6]-4:C[5,6a]-3:N[6a]-2:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:N[5,6]-3:C[6]-3:C-4:	C[5,6a](C[5,6]N[5,6]C[6]C)(C[5,6a]C[6a]C[5])(N[6a]C[6a])	N[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]C)	C[5,6](C[5,6a]C[5,6a]N[6a])(N[5,6]C[5]C[6])(C[6]O[6]O)(CH3)	C[5,6a](C[5,6]N[5,6]C[6]C)(C[5,6a]C[6a]C[5])(N[6a]C[6a]){1|C<3>,1|H<1>,1|O<2>,2|C<4>,2|O<1>}	N[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]C){1|C<4>,2|N<3>,3|C<3>}	C[5,6](C[5,6a]C[5,6a]N[6a])(N[5,6]C[5]C[6])(C[6]O[6]O)(CH3){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	123.6840	0.000	1	123.6840	0.000	1	123.6840	0.000	1	123.6840	0.000	1	125.2977	1.959	4	125.7411	4.858	125
727	371	474	0:SP2_SP2_SP3	C[5,6a]	N[6a]	C[5,6]	4:3:2:	3:3:	3:4:4:4:	C[5,6]-4:C[5,6a]-3:N[6a]-2:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-4:C[6]-4:C-4:	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]C[5])(N[6a]C[6a])	N[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]2)	C[5,6](C[5,6a]C[5,6a]N[6a])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]C[5])(N[6a]C[6a]){2|C<3>,2|C<4>,6|H<1>}	N[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]2){4|C<3>,4|C<4>}	C[5,6](C[5,6a]C[5,6a]N[6a])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,5|H<1>}	124.5760	0.000	1	124.5760	0.000	1	125.5745	1.994	2	125.5745	1.994	2	125.2977	1.959	4	125.7411	4.858	125
727	371	474	0:SP2_SP2_SP3	C[5,6a]	N[6a]	C[5,6]	4:3:2:	3:3:	3:4:4:4:	C[5,6]-4:C[5,6a]-3:N[6a]-2:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-4:C[6]-4:C-4:	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]C[5])(N[6a]C[6a])	N[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]N[6a]N)	C[5,6](C[5,6a]C[5,6a]N[6a])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]C[5])(N[6a]C[6a]){1|N<2>,1|N<3>,2|C<4>,6|H<1>}	N[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]N[6a]N){1|C<3>,4|C<4>}	C[5,6](C[5,6a]C[5,6a]N[6a])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,5|H<1>}	126.5730	0.000	1	126.5730	0.000	1	125.5745	1.994	2	125.5745	1.994	2	125.2977	1.959	4	125.7411	4.858	125
727	371	474	0:SP2_SP2_SP3	C[5,6a]	N[6a]	C[5]	3:2:4:	3:3:	3:2:1:1:	C[5,6a]-3:N[6a]-2:C[5]-4:	C[5,6a]-3:C[5,6a]-3:	C[5,6a]-3:S[5]-2:H-1:H-1:	C[5,6a](C[5,6a]N[6a]C[5])(N[6a]C[5,6a])(C[5]S[5]HH)	N[6a](C[5,6a]C[5,6a]C[5])2	C[5](C[5,6a]C[5,6a]N[6a])(S[5]C[5])(H)2	C[5,6a](C[5,6a]N[6a]C[5])(N[6a]C[5,6a])(C[5]S[5]HH){1|C<3>,1|C<4>,2|H<1>}	N[6a](C[5,6a]C[5,6a]C[5])2{1|N<2>,2|C<4>,2|S<2>,4|H<1>}	C[5](C[5,6a]C[5,6a]N[6a])(S[5]C[5])(H)2{1|C<3>,1|N<2>,2|H<1>}	121.7130	0.419	2	121.7130	0.175	2	121.7130	0.175	2	122.7080	1.378	4	124.5814	2.272	62	125.7411	4.858	125
727	371	474	0:SP2_SP2_SP3	C[5,6a]	N[6a]	C[5]	3:2:4:	3:3:	3:2:1:1:	C[5,6a]-3:N[6a]-2:C[5]-4:	C[5a,6a]-3:C[5,6a]-3:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[5a,6a])(C[5]O[5]HH)	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[5,6a]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]N[6a])(O[5]C[5])(H)2	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[5a,6a])(C[5]O[5]HH){1|O<1>,1|O<2>,2|C<3>}	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[5,6a]C[5,6a]C[5]){1|N<2>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]N[6a])(O[5]C[5])(H)2{1|O<1>,2|C<3>}	123.7030	0.000	2	123.7030	0.000	2	123.7030	0.000	2	122.7080	1.378	4	124.5814	2.272	62	125.7411	4.858	125
727	371	474	0:SP2_SP2_SP3	C[5,6a]	N[6a]	C[5]	3:2:4:	3:3:	3:2:4:4:	C[5,6a]-3:N[6a]-2:C[5]-4:	C[5a,6a]-3:C[5,6a]-3:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5,6a](C[5,6a]C[6a]S[5])(N[6a]C[5a,6a])(C[5]O[5]CC)	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[5,6a]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]N[6a])(O[5]S[5])(CH3)2	C[5,6a](C[5,6a]C[6a]S[5])(N[6a]C[5a,6a])(C[5]O[5]CC){1|C<3>,1|H<1>,1|N<3>,2|O<1>}	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[5,6a]C[5,6a]C[5]){1|C<2>,1|N<2>,1|O<2>,1|S<4>,2|C<3>,2|C<4>}	C[5](C[5,6a]C[5,6a]N[6a])(O[5]S[5])(CH3)2{2|C<3>,2|O<1>}	121.9590	0.000	1	121.9590	0.000	1	121.9590	0.000	1	121.9590	0.000	1	124.5814	2.272	62	125.7411	4.858	125
727	371	474	0:SP2_SP2_SP3	C[5,6a]	N[6a]	C[5]	3:2:4:	3:3:	3:3:1:1:	C[5,6a]-3:N[6a]-2:C[5]-4:	C[5,6a]-3:C[5,6a]-3:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5,6a](C[5,6a]N[6a]C[5])(N[6a]C[5,6a])(C[5]N[5]HH)	N[6a](C[5,6a]C[5,6a]C[5])2	C[5](C[5,6a]C[5,6a]N[6a])(N[5]C[5]C)(H)2	C[5,6a](C[5,6a]N[6a]C[5])(N[6a]C[5,6a])(C[5]N[5]HH){1|C<3>,2|C<4>,2|H<1>}	N[6a](C[5,6a]C[5,6a]C[5])2{1|N<2>,2|C<4>,2|N<3>,4|H<1>}	C[5](C[5,6a]C[5,6a]N[6a])(N[5]C[5]C)(H)2{1|C<3>,1|N<2>,2|H<1>}	126.8848	0.149	6	126.8848	0.022	6	126.8848	0.022	6	126.2763	1.325	8	124.5814	2.272	62	125.7411	4.858	125
727	371	474	0:SP2_SP2_SP3	C[5,6a]	N[6a]	C[5]	3:2:4:	3:3:	3:3:1:1:	C[5,6a]-3:N[6a]-2:C[5]-4:	C[6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(C[5]N[5]HH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]N[6a])(N[5]C[5]C)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(C[5]N[5]HH){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5]){1|N<3>,3|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]N[6a])(N[5]C[5]C)(H)2{1|O<1>,2|C<3>}	124.8220	0.000	1	124.4505	0.276	2	124.4505	0.276	2	126.2763	1.325	8	124.5814	2.272	62	125.7411	4.858	125
727	371	474	0:SP2_SP2_SP3	C[5,6a]	N[6a]	C[5]	3:2:4:	3:3:	3:3:1:1:	C[5,6a]-3:N[6a]-2:C[5]-4:	C[6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(C[5]N[5]HH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]N[6a])(N[5]C[5]C)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(C[5]N[5]HH){1|C<4>,1|O<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5]){1|N<3>,3|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]N[6a])(N[5]C[5]C)(H)2{1|O<1>,2|C<3>}	124.0790	0.000	1	124.4505	0.276	2	124.4505	0.276	2	126.2763	1.325	8	124.5814	2.272	62	125.7411	4.858	125
727	371	474	0:SP2_SP2_SP3	C[5,6a]	N[6a]	C[5]	3:2:4:	3:3:	3:3:4:2:	N[5,6a]-3:N[6a]-2:C[5]-4:	C[6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5]-3:C[5]-4:O-2:	C[5,6a](N[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(C[5]C[5]2O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]N[5,6a]C[5])	C[5](C[5,6a]N[5,6a]N[6a])(C[5]C[5]N[5])(C[5]C[5]HH)(OH)	C[5,6a](N[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(C[5]C[5]2O){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]N[5,6a]C[5]){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	C[5](C[5,6a]N[5,6a]N[6a])(C[5]C[5]N[5])(C[5]C[5]HH)(OH){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	125.6930	0.000	1	125.6930	0.000	1	125.6930	0.000	1	125.6930	0.000	1	124.5814	2.272	62	125.7411	4.858	125
727	371	474	0:SP2_SP2_SP3	C[5,6a]	N[6a]	C[5]	3:2:4:	3:3:	3:3:4:4:	N[5,6a]-3:N[6a]-2:C[5]-4:	C[6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5,6a](N[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(C[5]C[5]CC)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]N[5,6a]C[5])	C[5](C[5,6a]N[5,6a]N[6a])(C[5]C[5]H)(CHHP)(CH3)	C[5,6a](N[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(C[5]C[5]CC){1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]N[5,6a]C[5]){1|H<1>,2|C<4>,5|C<3>}	C[5](C[5,6a]N[5,6a]N[6a])(C[5]C[5]H)(CHHP)(CH3){1|H<1>,2|C<3>}	124.5160	0.000	1	124.5160	0.000	1	124.5160	0.000	1	124.5160	0.000	1	124.5814	2.272	62	125.7411	4.858	125
727	371	474	0:SP2_SP2_SP3	C[5,6a]	N[6a]	C[5]	3:2:4:	3:3:	3:4:1:1:	C[5,6a]-3:N[6a]-2:C[5]-4:	C[5,6a]-3:C[6,6a]-3:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6,6a])(C[5]C[5]HH)	N[6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6a]C[6])	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6,6a])(C[5]C[5]HH){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6a]C[6]){1|C<3>,4|C<4>,4|H<1>}	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>}	124.9650	0.000	1	124.9650	0.000	1	124.9650	0.000	1	123.7428	6.102	4	124.5814	2.272	62	125.7411	4.858	125
727	371	474	0:SP2_SP2_SP3	C[5,6a]	N[6a]	C[5]	3:2:4:	3:3:	3:4:1:1:	C[5,6a]-3:N[6a]-2:C[5]-4:	C[5a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a](C[5,6a]C[6a]S[5])(N[6a]C[5a,6a])(C[5]C[5]HH)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]N[6a])(C[5]S[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]S[5])(N[6a]C[5a,6a])(C[5]C[5]HH){1|N<3>,2|C<3>,2|H<1>,2|O<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[5]){1|C<4>,1|N<2>,1|S<4>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]N[6a])(C[5]S[5]HH)(H)2{2|C<3>,2|O<1>}	120.2220	0.000	1	120.2220	0.000	1	120.2220	0.000	1	123.7428	6.102	4	124.5814	2.272	62	125.7411	4.858	125
727	371	474	0:SP2_SP2_SP3	C[5,6a]	N[6a]	C[5]	3:2:4:	3:3:	3:4:1:1:	C[5,6a]-3:N[6a]-2:C[5]-4:	C[6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(C[5]C[5]HH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(C[5]C[5]HH){1|Br<1>,2|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5]){2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>}	123.9500	0.000	1	123.9500	0.000	1	123.9500	0.000	1	123.7428	6.102	4	124.5814	2.272	62	125.7411	4.858	125
727	371	474	0:SP2_SP2_SP3	C[5,6a]	N[6a]	C[5]	3:2:4:	3:3:	3:4:1:1:	N[5,6a]-3:N[6a]-2:C[5]-4:	C[5a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a](N[5,6a]C[6a]C[5])(N[6a]C[5a,6a])(C[5]C[5]HH)	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[5,6a]N[5,6a]C[5])	C[5](C[5,6a]N[5,6a]N[6a])(C[5]C[5]HH)(H)2	C[5,6a](N[5,6a]C[6a]C[5])(N[6a]C[5a,6a])(C[5]C[5]HH){1|C<3>,1|O<1>,1|S<2>,4|H<1>}	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[5,6a]N[5,6a]C[5]){2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6a]N[5,6a]N[6a])(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>}	125.8340	0.000	1	125.8340	0.000	1	125.8340	0.000	1	123.7428	6.102	4	124.5814	2.272	62	125.7411	4.858	125
727	371	474	0:SP2_SP2_SP3	C[5,6a]	N[6a]	C[5]	3:2:4:	3:3:	3:4:2:1:	N[5,6a]-3:N[6a]-2:C[5]-4:	C[6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5,6a](N[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(C[5]C[5]HO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]N[5,6a]C[5])	C[5](C[5,6a]N[5,6a]N[6a])(C[5]C[5]HH)(OH)(H)	C[5,6a](N[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(C[5]C[5]HO){1|O<1>,2|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]N[5,6a]C[5]){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6a]N[5,6a]N[6a])(C[5]C[5]HH)(OH)(H){2|C<3>,2|H<1>}	126.1420	0.000	1	126.1420	0.000	1	126.1420	0.000	1	126.1420	0.000	1	124.5814	2.272	62	125.7411	4.858	125
727	371	474	0:SP2_SP2_SP3	C[5,6a]	N[6a]	C[5]	3:2:4:	3:3:	3:4:4:1:	N[5,6a]-3:N[6a]-2:C[5]-4:	C[5,6a]-3:C[6a,6a]-3:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5,6a](N[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(C[5]C[5]CH)	N[6a](C[5,6a]N[5,6a]C[5])(C[6a,6a]C[6a,6a]2)	C[5](C[5,6a]N[5,6a]N[6a])(C[5]C[5]HH)(CCHH)(H)	C[5,6a](N[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(C[5]C[5]CH){1|O<1>,2|C<3>,4|H<1>}	N[6a](C[5,6a]N[5,6a]C[5])(C[6a,6a]C[6a,6a]2){1|H<1>,3|C<4>,4|C<3>}	C[5](C[5,6a]N[5,6a]N[6a])(C[5]C[5]HH)(CCHH)(H){2|C<3>,2|H<1>}	125.8120	0.000	1	125.8120	0.000	1	125.8120	0.000	1	125.6045	0.086	2	124.5814	2.272	62	125.7411	4.858	125
727	371	474	0:SP2_SP2_SP3	C[5,6a]	N[6a]	C[5]	3:2:4:	3:3:	3:4:4:1:	N[5,6a]-3:N[6a]-2:C[5]-4:	C[6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5,6a](N[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(C[5]C[5]CH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]N[5,6a]C[5])	C[5](C[5,6a]N[5,6a]N[6a])(C[5]C[5]HH)(CCHH)(H)	C[5,6a](N[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(C[5]C[5]CH){1|O<1>,2|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]N[5,6a]C[5]){2|H<1>,3|C<3>,3|C<4>}	C[5](C[5,6a]N[5,6a]N[6a])(C[5]C[5]HH)(CCHH)(H){2|C<3>,2|H<1>}	125.3970	0.000	1	125.3970	0.000	1	125.3970	0.000	1	125.6045	0.086	2	124.5814	2.272	62	125.7411	4.858	125
727	371	474	0:SP2_SP2_SP3	C[5,6a]	N[6a]	C[5]	3:4:2:	3:3:	3:2:3:1:	C[5,6a]-3:C[5]-4:N[6a]-2:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:O[5]-2:C-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]O[5]CH)(N[6a]C[6a])	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)	C[5](C[5,6a]C[5,6a]N[6a])(O[5]C[5])(COO)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]O[5]CH)(N[6a]C[6a]){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O){1|H<1>,2|O<2>,3|C<3>}	C[5](C[5,6a]C[5,6a]N[6a])(O[5]C[5])(COO)(H){1|O<1>,2|C<3>}	125.8640	0.000	1	125.8640	0.000	1	125.8640	0.000	1	125.8640	0.000	1	124.5814	2.272	62	125.7411	4.858	125
727	371	474	0:SP2_SP2_SP3	C[5,6a]	N[6a]	C[5]	3:4:2:	3:3:	3:2:4:4:	C[5,6a]-3:C[5]-4:N[6a]-2:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5,6a](C[5,6a]C[6a]S[5])(C[5]O[5]CC)(N[6a]C[6a])	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]N[6a]N)	C[5](C[5,6a]C[5,6a]N[6a])(O[5]S[5])(CH3)2	C[5,6a](C[5,6a]C[6a]S[5])(C[5]O[5]CC)(N[6a]C[6a]){1|H<1>,2|N<2>,2|O<1>}	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]N[6a]N){1|C<3>,1|O<2>,1|S<4>,2|C<4>}	C[5](C[5,6a]C[5,6a]N[6a])(O[5]S[5])(CH3)2{2|C<3>,2|O<1>}	122.6170	0.000	1	122.6170	0.000	1	122.6170	0.000	1	122.6170	0.000	1	124.5814	2.272	62	125.7411	4.858	125
727	371	474	0:SP2_SP2_SP3	C[5,6a]	N[6a]	C[5]	3:4:2:	3:3:	3:3:1:1:	C[5,6a]-3:C[5]-4:N[6a]-2:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5,6a](C[5,6a]N[6a]C[5])(C[5]N[5]HH)(N[6a]C[6a])	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)	C[5](C[5,6a]C[5,6a]N[6a])(N[5]C[6a]C[5])(H)2	C[5,6a](C[5,6a]N[6a]C[5])(C[5]N[5]HH)(N[6a]C[6a]){1|C<4>,2|C<3>,2|H<1>}	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C){1|N<2>,1|N<3>,2|C<4>,2|H<1>}	C[5](C[5,6a]C[5,6a]N[6a])(N[5]C[6a]C[5])(H)2{1|N<2>,2|H<1>,3|C<3>}	126.1535	0.244	2	126.1535	0.060	2	126.1535	0.060	2	126.3493	0.145	3	124.5814	2.272	62	125.7411	4.858	125
727	371	474	0:SP2_SP2_SP3	C[5,6a]	N[6a]	C[5]	3:4:2:	3:3:	3:3:1:1:	C[5,6a]-3:C[5]-4:N[6a]-2:	C[6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5,6a]-3:H-1:H-1:	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]HH)(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(H)2	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]HH)(N[6a]C[6a,6a]){4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5]){1|C<2>,1|N<2>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(H)2{1|H<1>,1|N<2>,3|C<3>}	126.7410	0.000	1	126.7410	0.000	1	126.7410	0.000	1	126.3493	0.145	3	124.5814	2.272	62	125.7411	4.858	125
727	371	474	0:SP2_SP2_SP3	C[5,6a]	N[6a]	C[5]	3:4:2:	3:3:	3:3:2:1:	C[5,6a]-3:C[5]-4:N[6a]-2:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:N[5]-3:O-2:H-1:	C[5,6a](C[5,6a]N[6a]C[5])(C[5]N[5]HO)(N[6a]C[6a])	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]N[6a])(N[5]C[6a]C[5])(OC)(H)	C[5,6a](C[5,6a]N[6a]C[5])(C[5]N[5]HO)(N[6a]C[6a]){1|H<1>,1|O<1>,2|C<3>}	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,1|O<2>,2|H<1>}	C[5](C[5,6a]C[5,6a]N[6a])(N[5]C[6a]C[5])(OC)(H){1|O<1>,2|C<3>,2|N<2>}	125.6153	0.227	3	125.6153	0.052	3	125.6153	0.052	3	125.6153	0.052	3	124.5814	2.272	62	125.7411	4.858	125
727	371	474	0:SP2_SP2_SP3	C[5,6a]	N[6a]	C[5]	3:4:2:	3:3:	3:3:3:2:	N[5,6a]-3:C[5]-4:N[6a]-2:	C[6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5,6a]-3:C[5a]-3:O-2:	C[5,6a](N[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5a]O)(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]N[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[5,6a]N[6a])(C[5a]C[5a,6a]C[5a])(OH)	C[5,6a](N[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5a]O)(N[6a]C[6a,6a]){1|O<1>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]N[5,6a]C[5]){1|H<1>,1|O<2>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[5,6a]N[6a])(C[5a]C[5a,6a]C[5a])(OH){1|N<3>,2|H<1>,6|C<3>}	125.0240	0.000	1	125.0240	0.000	1	125.0240	0.000	1	125.0240	0.000	1	124.5814	2.272	62	125.7411	4.858	125
727	371	474	0:SP2_SP2_SP3	C[5,6a]	N[6a]	C[5]	3:4:2:	3:3:	3:3:3:3:	C[5,6a]-3:C[5]-4:N[6a]-2:	C[6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]C[6a]2)(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[6a]C[6a]2)2	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]C[6a]2)(N[6a]C[6a,6a]){8|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5]){1|H<1>,1|N<2>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[6a]C[6a]2)2{1|N<2>,5|H<1>,7|C<3>}	126.2000	0.000	1	126.2000	0.000	1	126.2000	0.000	1	124.7855	4.002	2	124.5814	2.272	62	125.7411	4.858	125
727	371	474	0:SP2_SP2_SP3	C[5,6a]	N[6a]	C[5]	3:4:2:	3:3:	3:3:3:3:	N[5,6a]-3:C[5]-4:N[6a]-2:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a](N[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[5,6a]N[5,6a]C[5])(C[6a]C[6a,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[5,6a]N[6a])(C[6a]C[6a]2)2	C[5,6a](N[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]C[6a]2)(N[6a]C[6a]){1|O<1>,8|C<3>}	N[6a](C[5,6a]N[5,6a]C[5])(C[6a]C[6a,6a]O){6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[5,6a]N[6a])(C[6a]C[6a]2)2{5|H<1>,8|C<3>}	123.3710	0.000	1	123.3710	0.000	1	123.3710	0.000	1	124.7855	4.002	2	124.5814	2.272	62	125.7411	4.858	125
727	371	474	0:SP2_SP2_SP3	C[5,6a]	N[6a]	C[5]	3:4:2:	3:3:	3:3:4:2:	N[5,6a]-3:C[5]-4:N[6a]-2:	C[6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5,6a]-3:C-4:O-2:	C[5,6a](N[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CO)(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]N[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[5,6a]N[6a])(CCHH)(OC)	C[5,6a](N[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CO)(N[6a]C[6a,6a]){1|O<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]N[5,6a]C[5]){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[5,6a]N[6a])(CCHH)(OC){1|H<1>,4|C<3>}	125.1120	0.219	2	125.1120	0.048	2	125.1120	0.048	2	125.3457	0.188	3	124.5814	2.272	62	125.7411	4.858	125
727	371	474	0:SP2_SP2_SP3	C[5,6a]	N[6a]	C[5]	3:4:2:	3:3:	3:3:4:2:	N[5,6a]-3:C[5]-4:N[6a]-2:	C[6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5,6a]-3:C[5]-4:O-2:	C[5,6a](N[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]O)(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]N[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[5,6a]N[6a])(C[5]C[5]2F)(OH)	C[5,6a](N[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]O)(N[6a]C[6a,6a]){1|C<4>,1|F<1>,1|O<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]N[5,6a]C[5]){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[5,6a]N[6a])(C[5]C[5]2F)(OH){1|O<1>,3|H<1>,6|C<3>}	125.8130	0.000	1	125.8130	0.000	1	125.8130	0.000	1	125.3457	0.188	3	124.5814	2.272	62	125.7411	4.858	125
727	371	474	0:SP2_SP2_SP3	C[5,6a]	N[6a]	C[5]	3:4:2:	3:3:	3:4:1:1:	C[5,6a]-3:C[5]-4:N[6a]-2:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(N[6a]C[6a])	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]N[6a])(C[5,6]C[5,6]C[6]H)(H)2	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(N[6a]C[6a]){1|C<4>,3|C<3>,3|H<1>}	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6a]C[5,6a]N[6a])(C[5,6]C[5,6]C[6]H)(H)2{1|C<4>,2|H<1>,4|C<3>}	124.4990	0.000	1	124.4990	0.000	1	124.4990	0.000	1	123.7498	0.636	9	124.5814	2.272	62	125.7411	4.858	125
727	371	474	0:SP2_SP2_SP3	C[5,6a]	N[6a]	C[5]	3:4:2:	3:3:	3:4:1:1:	C[5,6a]-3:C[5]-4:N[6a]-2:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]HH)(N[6a]C[6a])	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]HH)(N[6a]C[6a]){1|C<3>,1|O<1>,4|H<1>}	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(H)2{1|O<1>,2|C<3>}	123.7200	0.000	1	123.7390	0.042	3	123.6561	0.637	8	123.7498	0.636	9	124.5814	2.272	62	125.7411	4.858	125
727	371	474	0:SP2_SP2_SP3	C[5,6a]	N[6a]	C[5]	3:4:2:	3:3:	3:4:1:1:	C[5,6a]-3:C[5]-4:N[6a]-2:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]HH)(N[6a]C[6a])	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]HH)(N[6a]C[6a]){1|N<3>,2|C<3>,4|H<1>}	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(H)2{1|H<1>,1|N<3>,2|C<3>}	123.7485	0.288	2	123.7390	0.042	3	123.6561	0.637	8	123.7498	0.636	9	124.5814	2.272	62	125.7411	4.858	125
727	371	474	0:SP2_SP2_SP3	C[5,6a]	N[6a]	C[5]	3:4:2:	3:3:	3:4:1:1:	C[5,6a]-3:C[5]-4:N[6a]-2:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]HH)(N[6a]C[6a])	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]HH)(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N){1|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>}	122.4330	0.000	1	122.4740	0.003	2	123.6561	0.637	8	123.7498	0.636	9	124.5814	2.272	62	125.7411	4.858	125
727	371	474	0:SP2_SP2_SP3	C[5,6a]	N[6a]	C[5]	3:4:2:	3:3:	3:4:1:1:	C[5,6a]-3:C[5]-4:N[6a]-2:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]HH)(N[6a]C[6a])	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]HH)(N[6a]C[6a]){1|N<3>,2|C<3>,4|H<1>}	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N){1|C<2>,1|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>}	122.5150	0.000	1	122.4740	0.003	2	123.6561	0.637	8	123.7498	0.636	9	124.5814	2.272	62	125.7411	4.858	125
727	371	474	0:SP2_SP2_SP3	C[5,6a]	N[6a]	C[5]	3:4:2:	3:3:	3:4:1:1:	C[5,6a]-3:C[5]-4:N[6a]-2:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]HH)(N[6a]C[6a])	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]N[6a]N)	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]CC)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]HH)(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]N[6a]N){1|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]CC)(H)2{2|C<3>,2|H<1>}	124.1570	0.000	1	124.1570	0.000	1	123.6561	0.637	8	123.7498	0.636	9	124.5814	2.272	62	125.7411	4.858	125
727	371	474	0:SP2_SP2_SP3	C[5,6a]	N[6a]	C[5]	3:4:2:	3:3:	3:4:1:1:	C[5,6a]-3:C[5]-4:N[6a]-2:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]HH)(N[6a]C[6a])	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]N[6a]S)	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]HH)(N[6a]C[6a]){1|N<2>,1|O<2>,1|S<2>,4|H<1>}	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]N[6a]S){1|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>}	124.4635	0.060	2	124.4635	0.004	2	123.6561	0.637	8	123.7498	0.636	9	124.5814	2.272	62	125.7411	4.858	125
727	371	474	0:SP2_SP2_SP3	C[5,6a]	N[6a]	C[5]	3:4:2:	3:3:	3:4:2:1:	C[5,6a]-3:C[5]-4:N[6a]-2:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]HO)(N[6a]C[6a])	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(OC)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]HO)(N[6a]C[6a]){1|C<3>,6|H<1>}	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(OC)(H){2|C<3>,2|H<1>}	122.8370	0.000	1	122.8370	0.000	1	123.8454	0.468	14	123.8454	0.468	14	124.5814	2.272	62	125.7411	4.858	125
727	371	474	0:SP2_SP2_SP3	C[5,6a]	N[6a]	C[5]	3:4:2:	3:3:	3:4:2:1:	C[5,6a]-3:C[5]-4:N[6a]-2:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]HO)(N[6a]C[6a])	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(OC)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]HO)(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(OC)(H){2|C<3>,2|H<1>}	123.9229	0.645	13	123.9229	0.416	13	123.8454	0.468	14	123.8454	0.468	14	124.5814	2.272	62	125.7411	4.858	125
727	371	474	0:SP2_SP2_SP3	C[5,6a]	N[6a]	C[5]	3:4:2:	3:3:	3:4:3:2:	C[5,6a]-3:C[5]-4:N[6a]-2:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:C-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(N[6a]C[6a])	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(CN)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(N[6a]C[6a]){4|C<3>,4|H<1>}	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H){1|C<2>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(CN){3|H<1>,6|C<3>}	125.9965	0.057	2	125.9965	0.003	2	125.9965	0.003	2	125.9965	0.003	2	124.5814	2.272	62	125.7411	4.858	125
727	371	474	0:SP2_SP2_SP3	C[5,6a]	N[6a]	C[5]	3:4:2:	3:3:	4:3:1:1:	C[5,6a]-3:C[5]-4:N[6a]-2:	C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:H-1:H-1:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[5,6]HH)(N[6a]C[6a])	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]N[6a])(H)2	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[5,6]HH)(N[6a]C[6a]){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O){1|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]N[6a])(H)2{2|C<3>,2|H<1>,3|C<4>}	123.9340	0.000	1	123.9340	0.000	1	123.9340	0.000	1	123.9340	0.000	1	124.5814	2.272	62	125.7411	4.858	125
727	371	486	0:SP2_SP2_SP3	C[5,6a]	N[6a]	C[3,5]	4:3:2:	3:3:	3:4:4:3:	C[3,5]-4:C[5,6a]-3:N[6a]-2:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[3,6]-4:C[3,6]-4:C[5]-3:	C[5,6a](C[3,5]C[3,6]2C[5])(C[5,6a]N[6a]C[5])(N[6a]C[6a])	N[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]N[6a])(C[3,6]C[3,6]C[6]H)2(C[5]C[5]H)	C[5,6a](C[3,5]C[3,6]2C[5])(C[5,6a]N[6a]C[5])(N[6a]C[6a]){2|C<3>,2|C<4>,4|H<1>}	N[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[3,5](C[5,6a]C[5,6a]N[6a])(C[3,6]C[3,6]C[6]H)2(C[5]C[5]H){1|N<2>,4|C<3>,4|H<1>}	127.6005	0.192	2	127.6005	0.037	2	127.6005	0.037	2	127.6005	0.037	2	127.6005	0.037	2	127.6005	0.037	2
727	371	519	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a]	3:2:2:	3:2:	3:2:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:N[6a]-2:	C[5a,6a]-3:N[5a]-2:	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])	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])	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>}	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[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a]){1|C<3>,1|N<2>,1|O<1>}	126.3445	0.955	2	126.3445	0.913	2	126.3445	0.913	2	128.1989	0.733	25	126.5539	5.199	201	126.5539	5.199	201
727	371	519	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a]	3:2:2:	3:2:	3:2:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:N[6a]-2:	C[5a,6a]-3:N[5a]-2:	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])	N[5a](C[5a,6a]N[5a,6a]N[6a])(N[5a]C[5a])	C[5a,6a](N[5a,6a]C[5a]N[6a])(N[5a]N[5a])(N[6a]N[6a]){1|C<3>,1|C<4>}	N[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a]){1|C<3>,1|N<3>,2|N<2>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(N[5a]C[5a]){1|C<4>,2|N<2>}	128.6010	0.000	1	128.3601	0.418	23	128.3601	0.418	23	128.1989	0.733	25	126.5539	5.199	201	126.5539	5.199	201
727	371	519	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a]	3:2:2:	3:2:	3:2:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:N[6a]-2:	C[5a,6a]-3:N[5a]-2:	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])	N[5a](C[5a,6a]N[5a,6a]N[6a])(N[5a]C[5a])	C[5a,6a](N[5a,6a]C[5a]N[6a])(N[5a]N[5a])(N[6a]N[6a]){1|C<3>,1|H<1>}	N[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a]){1|C<3>,1|H<1>,2|N<2>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(N[5a]C[5a]){1|H<1>,2|N<2>}	130.1010	0.000	1	128.3601	0.418	23	128.3601	0.418	23	128.1989	0.733	25	126.5539	5.199	201	126.5539	5.199	201
727	371	519	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a]	3:2:2:	3:2:	3:2:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:N[6a]-2:	C[5a,6a]-3:N[5a]-2:	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])	N[5a](C[5a,6a]N[5a,6a]N[6a])(N[5a]C[5a])	C[5a,6a](N[5a,6a]C[5a]N[6a])(N[5a]N[5a])(N[6a]N[6a]){1|C<3>,1|H<1>}	N[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a]){1|C<3>,1|N<3>,2|N<2>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(N[5a]C[5a]){1|H<1>,2|N<2>}	127.8767	0.497	6	128.3601	0.418	23	128.3601	0.418	23	128.1989	0.733	25	126.5539	5.199	201	126.5539	5.199	201
727	371	519	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a]	3:2:2:	3:2:	3:2:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:N[6a]-2:	C[5a,6a]-3:N[5a]-2:	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])	N[5a](C[5a,6a]N[5a,6a]N[6a])(N[5a]C[5a])	C[5a,6a](N[5a,6a]C[5a]N[6a])(N[5a]N[5a])(N[6a]N[6a]){1|C<3>,1|H<1>}	N[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a]){1|C<3>,1|O<1>,2|N<2>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(N[5a]C[5a]){1|H<1>,2|N<2>}	127.4570	0.000	1	128.3601	0.418	23	128.3601	0.418	23	128.1989	0.733	25	126.5539	5.199	201	126.5539	5.199	201
727	371	519	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a]	3:2:2:	3:2:	3:2:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:N[6a]-2:	C[5a,6a]-3:N[5a]-2:	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])	N[5a](C[5a,6a]N[5a,6a]N[6a])(N[5a]C[5a])	C[5a,6a](N[5a,6a]C[5a]N[6a])(N[5a]N[5a])(N[6a]N[6a]){1|C<3>,1|H<1>}	N[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a]){1|C<3>,1|O<2>,2|N<2>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(N[5a]C[5a]){1|H<1>,2|N<2>}	128.4790	0.000	1	128.3601	0.418	23	128.3601	0.418	23	128.1989	0.733	25	126.5539	5.199	201	126.5539	5.199	201
727	371	519	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a]	3:2:2:	3:2:	3:2:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:N[6a]-2:	C[5a,6a]-3:N[5a]-2:	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])	N[5a](C[5a,6a]N[5a,6a]N[6a])(N[5a]C[5a])	C[5a,6a](N[5a,6a]C[5a]N[6a])(N[5a]N[5a])(N[6a]N[6a]){1|C<3>,1|H<1>}	N[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a]){1|C<3>,3|N<2>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(N[5a]C[5a]){1|H<1>,2|N<2>}	128.7135	0.183	2	128.3601	0.418	23	128.3601	0.418	23	128.1989	0.733	25	126.5539	5.199	201	126.5539	5.199	201
727	371	519	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a]	3:2:2:	3:2:	3:2:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:N[6a]-2:	C[5a,6a]-3:N[5a]-2:	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])	N[5a](C[5a,6a]N[5a,6a]N[6a])(N[5a]C[5a])	C[5a,6a](N[5a,6a]C[5a]N[6a])(N[5a]N[5a])(N[6a]N[6a]){1|C<3>,1|N<2>}	N[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a]){1|C<3>,1|H<1>,2|N<2>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(N[5a]C[5a]){3|N<2>}	128.6800	0.000	1	128.3601	0.418	23	128.3601	0.418	23	128.1989	0.733	25	126.5539	5.199	201	126.5539	5.199	201
727	371	519	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a]	3:2:2:	3:2:	3:2:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:N[6a]-2:	C[5a,6a]-3:N[5a]-2:	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])	N[5a](C[5a,6a]N[5a,6a]N[6a])(N[5a]C[5a])	C[5a,6a](N[5a,6a]C[5a]N[6a])(N[5a]N[5a])(N[6a]N[6a]){1|C<3>,1|N<2>}	N[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a]){1|C<3>,1|N<3>,2|N<2>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(N[5a]C[5a]){3|N<2>}	128.0117	0.249	3	128.3601	0.418	23	128.3601	0.418	23	128.1989	0.733	25	126.5539	5.199	201	126.5539	5.199	201
727	371	519	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a]	3:2:2:	3:2:	3:2:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:N[6a]-2:	C[5a,6a]-3:N[5a]-2:	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])	N[5a](C[5a,6a]N[5a,6a]N[6a])(N[5a]C[5a])	C[5a,6a](N[5a,6a]C[5a]N[6a])(N[5a]N[5a])(N[6a]N[6a]){1|C<3>,1|N<2>}	N[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a]){1|C<3>,3|N<2>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(N[5a]C[5a]){3|N<2>}	128.8160	0.685	3	128.3601	0.418	23	128.3601	0.418	23	128.1989	0.733	25	126.5539	5.199	201	126.5539	5.199	201
727	371	519	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a]	3:2:2:	3:2:	3:2:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:N[6a]-2:	C[5a,6a]-3:N[5a]-2:	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])	N[5a](C[5a,6a]N[5a,6a]N[6a])(N[5a]C[5a])	C[5a,6a](N[5a,6a]C[5a]N[6a])(N[5a]N[5a])(N[6a]N[6a]){1|C<3>,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>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(N[5a]C[5a]){1|N<3>,2|N<2>}	128.7320	0.000	1	128.3601	0.418	23	128.3601	0.418	23	128.1989	0.733	25	126.5539	5.199	201	126.5539	5.199	201
727	371	519	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a]	3:2:2:	3:2:	3:2:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:N[6a]-2:	C[5a,6a]-3:N[5a]-2:	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])	N[5a](C[5a,6a]N[5a,6a]N[6a])(N[5a]C[5a])	C[5a,6a](N[5a,6a]C[5a]N[6a])(N[5a]N[5a])(N[6a]N[6a]){1|C<3>,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>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(N[5a]C[5a]){1|N<3>,2|N<2>}	128.2560	0.000	1	128.3601	0.418	23	128.3601	0.418	23	128.1989	0.733	25	126.5539	5.199	201	126.5539	5.199	201
727	371	519	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a]	3:2:2:	3:2:	3:2:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:N[6a]-2:	C[5a,6a]-3:N[5a]-2:	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])	N[5a](C[5a,6a]N[5a,6a]N[6a])(N[5a]C[5a])	C[5a,6a](N[5a,6a]C[5a]N[6a])(N[5a]N[5a])(N[6a]N[6a]){1|C<3>,1|N<3>}	N[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a]){1|C<3>,3|N<2>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(N[5a]C[5a]){1|N<3>,2|N<2>}	128.5630	0.000	1	128.3601	0.418	23	128.3601	0.418	23	128.1989	0.733	25	126.5539	5.199	201	126.5539	5.199	201
727	371	519	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a]	3:2:2:	3:2:	3:2:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:N[6a]-2:	C[5a,6a]-3:N[5a]-2:	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])	N[5a](C[5a,6a]N[5a,6a]N[6a])(N[5a]C[5a])	C[5a,6a](N[5a,6a]C[5a]N[6a])(N[5a]N[5a])(N[6a]N[6a]){1|Cl<1>,1|C<3>}	N[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a]){1|C<3>,1|N<3>,2|N<2>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(N[5a]C[5a]){1|Cl<1>,2|N<2>}	128.2440	0.000	1	128.3601	0.418	23	128.3601	0.418	23	128.1989	0.733	25	126.5539	5.199	201	126.5539	5.199	201
727	371	519	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a]	3:2:2:	3:2:	3:3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:	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])	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]C)	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>}	N[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a,6a]){1|N<2>,3|C<3>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]C){1|C<3>,1|N<2>}	127.5855	0.054	2	127.5855	0.003	2	127.7460	0.042	5	127.5424	0.224	7	126.5539	5.199	201	126.5539	5.199	201
727	371	519	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a]	3:2:2:	3:2:	3:3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:	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])	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]H)	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>}	N[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a,6a]){1|N<2>,3|C<3>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]H){1|C<3>,1|N<2>}	127.7485	0.122	2	127.7485	0.015	2	127.7460	0.042	5	127.5424	0.224	7	126.5539	5.199	201	126.5539	5.199	201
727	371	519	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a]	3:2:2:	3:2:	3:3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:	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])	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]N)	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]N[6a]){1|C<3>,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>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]N){1|C<3>,1|N<2>}	128.0620	0.000	1	128.0620	0.000	1	127.7460	0.042	5	127.5424	0.224	7	126.5539	5.199	201	126.5539	5.199	201
727	371	519	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a]	3:2:2:	3:2:	3:3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:N[6a]-2:	C[5a,6a]-3:N[5a]-3:	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])	N[5a](C[5a,6a]N[5a,6a]N[6a])(N[5a]C[5a]H)	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>}	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[5a](C[5a,6a]N[5a,6a]N[6a])(N[5a]C[5a]H){1|N<3>,2|N<2>}	127.0335	0.671	2	127.0335	0.450	2	127.0335	0.450	2	127.5424	0.224	7	126.5539	5.199	201	126.5539	5.199	201
727	371	519	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a]	3:2:2:	3:3:	3:2:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a])(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<2>,1|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|C<3>,1|N<2>,1|N<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a]){1|C<4>,2|C<3>}	126.0940	0.000	1	126.0940	0.000	1	126.0940	0.000	1	125.2342	5.645	28	126.5539	5.199	201	126.5539	5.199	201
727	371	519	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a]	3:2:2:	3:3:	3:2:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[5a]O[5a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)	N[5a](C[5a,6a]C[5a,6a]N[6a])(O[5a]N[5a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[5a]O[5a])(N[6a]C[6a]){1|Cl<1>,1|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl){1|Cl<1>,1|O<2>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(O[5a]N[5a]){1|C<3>,1|N<2>}	126.5920	0.051	2	126.5920	0.003	2	126.5554	0.114	5	125.2342	5.645	28	126.5539	5.199	201	126.5539	5.199	201
727	371	519	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a]	3:2:2:	3:3:	3:2:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[5a]O[5a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)	N[5a](C[5a,6a]C[5a,6a]N[6a])(O[5a]N[5a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[5a]O[5a])(N[6a]C[6a]){1|C<3>,1|O<2>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O){2|N<2>,2|O<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(O[5a]N[5a]){1|C<3>,1|N<2>}	126.5310	0.474	3	126.5310	0.225	3	126.5554	0.114	5	125.2342	5.645	28	126.5539	5.199	201	126.5539	5.199	201
727	371	519	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a]	3:2:2:	3:3:	3:2:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]S[5a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(S[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]S[5a])(N[6a]C[6a]){1|C<3>,2|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|N<2>,1|S<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(S[5a]N[5a]){2|C<3>}	123.1515	0.073	2	123.1515	0.005	2	123.1822	0.030	4	125.2342	5.645	28	126.5539	5.199	201	126.5539	5.199	201
727	371	519	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a]	3:2:2:	3:3:	3:2:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[5a]S[5a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)	N[5a](C[5a,6a]C[5a,6a]N[6a])(S[5a]N[5a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[5a]S[5a])(N[6a]C[6a]){1|C<3>,1|N<2>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N){2|N<2>,2|S<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(S[5a]N[5a]){1|C<3>,1|N<2>}	123.0130	0.000	1	123.0130	0.000	1	123.1822	0.030	4	125.2342	5.645	28	126.5539	5.199	201	126.5539	5.199	201
727	371	519	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a]	3:2:2:	3:3:	3:2:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[5a]S[5a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]S)	N[5a](C[5a,6a]C[5a,6a]N[6a])(S[5a]N[5a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[5a]S[5a])(N[6a]C[6a]){1|C<3>,1|S<2>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]S){1|S<2>,3|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(S[5a]N[5a]){1|C<3>,1|N<2>}	123.4130	0.000	1	123.4130	0.000	1	123.1822	0.030	4	125.2342	5.645	28	126.5539	5.199	201	126.5539	5.199	201
727	371	519	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a]	3:2:2:	3:3:	3:2:	C[5a,6a]-3:N[6a]-2:N[5a]-2:	C[5a,6a]-3:C[5,6a]-3:	C[5a,6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[6a]C[5,6a])(N[5a]S[5a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]N[5])	N[5a](C[5a,6a]C[5a,6a]N[6a])(S[5a]N[5a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[6a]C[5,6a])(N[5a]S[5a]){1|C<3>,1|N<2>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]N[5]){2|N<2>,3|S<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(S[5a]N[5a]){1|C<3>,1|N<2>}	122.4160	0.000	1	122.4160	0.000	1	123.4191	0.330	8	125.2342	5.645	28	126.5539	5.199	201	126.5539	5.199	201
727	371	519	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a]	3:2:2:	3:3:	3:2:	C[5a,6a]-3:N[6a]-2:N[5a]-2:	C[5a,6a]-3:C[5,6a]-3:	C[5a,6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[6a]C[5,6a])(N[5a]S[5a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]S[5])	N[5a](C[5a,6a]C[5a,6a]N[6a])(S[5a]N[5a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[6a]C[5,6a])(N[5a]S[5a]){1|C<3>,1|S<2>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]S[5]){1|N<3>,2|N<2>,2|S<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(S[5a]N[5a]){1|C<3>,1|N<2>}	123.3360	0.429	4	123.5624	0.194	7	123.4191	0.330	8	125.2342	5.645	28	126.5539	5.199	201	126.5539	5.199	201
727	371	519	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a]	3:2:2:	3:3:	3:2:	C[5a,6a]-3:N[6a]-2:N[5a]-2:	C[5a,6a]-3:C[5,6a]-3:	C[5a,6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[6a]C[5,6a])(N[5a]S[5a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]S[5])	N[5a](C[5a,6a]C[5a,6a]N[6a])(S[5a]N[5a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[6a]C[5,6a])(N[5a]S[5a]){1|C<3>,1|S<2>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]S[5]){2|S<2>,3|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(S[5a]N[5a]){1|C<3>,1|N<2>}	123.8643	0.254	3	123.5624	0.194	7	123.4191	0.330	8	125.2342	5.645	28	126.5539	5.199	201	126.5539	5.199	201
727	371	519	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a]	3:2:2:	3:3:	3:2:	C[5a,6a]-3:N[6a]-2:N[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[6a]C[5a,6a])(N[5a]O[5a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)	N[5a](C[5a,6a]C[5a,6a]N[6a])(O[5a]N[5a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[6a]C[5a,6a])(N[5a]O[5a]){2|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2){1|N<3>,1|O<2>,2|C<3>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(O[5a]N[5a]){1|C<3>,1|N<2>}	125.2830	0.000	1	125.2830	0.000	1	125.3375	0.014	4	125.2342	5.645	28	126.5539	5.199	201	126.5539	5.199	201
727	371	519	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a]	3:2:2:	3:3:	3:2:	C[5a,6a]-3:N[6a]-2:N[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[6a]C[5a,6a])(N[5a]O[5a])	N[6a](C[5a,6a]C[5a,6a]N[5a])2	N[5a](C[5a,6a]C[5a,6a]N[6a])(O[5a]N[5a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[6a]C[5a,6a])(N[5a]O[5a]){1|C<3>,1|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(O[5a]N[5a]){1|C<3>,1|N<2>}	125.4310	0.066	2	125.3557	0.019	3	125.3375	0.014	4	125.2342	5.645	28	126.5539	5.199	201	126.5539	5.199	201
727	371	519	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a]	3:2:2:	3:3:	3:2:	C[5a,6a]-3:N[6a]-2:N[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[6a]C[5a,6a])(N[5a]O[5a])	N[6a](C[5a,6a]C[5a,6a]N[5a])2	N[5a](C[5a,6a]C[5a,6a]N[6a])(O[5a]N[5a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[6a]C[5a,6a])(N[5a]O[5a]){1|C<3>,1|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])2{1|O<2>,2|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(O[5a]N[5a]){1|C<3>,1|N<2>}	125.2050	0.000	1	125.3557	0.019	3	125.3375	0.014	4	125.2342	5.645	28	126.5539	5.199	201	126.5539	5.199	201
727	371	519	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a]	3:2:2:	3:3:	3:2:	C[5a,6a]-3:N[6a]-2:N[5a]-2:	C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[6a]C[6a,6a])(N[5a]S[5a])	N[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(S[5a]N[5a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[6a]C[6a,6a])(N[5a]S[5a]){2|C<3>}	N[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]N[5a]){1|S<2>,2|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(S[5a]N[5a]){1|C<3>,1|N<2>}	123.2805	0.443	2	123.2805	0.197	2	123.2805	0.197	2	125.2342	5.645	28	126.5539	5.199	201	126.5539	5.199	201
727	371	519	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a]	3:2:2:	3:3:	3:2:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]N[5a])(N[6a]C[6a])	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]N[5a,6a]N[6a])(N[5a]N[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]N[5a])(N[6a]C[6a]){1|C<3>,2|H<1>}	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|H<1>,2|N<2>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(N[5a]N[5a]){2|C<3>}	129.1850	0.000	1	129.1850	0.000	1	129.9235	0.339	4	125.2342	5.645	28	126.5539	5.199	201	126.5539	5.199	201
727	371	519	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a]	3:2:2:	3:3:	3:2:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]N[5a]N[6a])(N[5a]N[5a])(N[6a]C[6a])	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]N)	N[5a](C[5a,6a]N[5a,6a]N[6a])(N[5a]N[5a])	C[5a,6a](N[5a,6a]N[5a]N[6a])(N[5a]N[5a])(N[6a]C[6a]){1|C<3>,1|N<3>}	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]N){1|C<3>,3|N<2>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(N[5a]N[5a]){1|C<3>,1|N<2>}	130.1697	0.380	3	130.1697	0.144	3	129.9235	0.339	4	125.2342	5.645	28	126.5539	5.199	201	126.5539	5.199	201
727	371	519	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a]	3:2:2:	3:3:	3:3:	C[5a,6,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(N[5a]C[5a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6,6a]N[5a])(C[6a]N[6a]H)	N[5a](C[5a,6a]C[5a,6,6a]N[6a])(C[5a]N[5a,6]H)	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(N[5a]C[5a])(N[6a]C[6a]){1|B<4>,1|N<2>,1|N<3>,2|H<1>}	N[6a](C[5a,6a]C[5a,6,6a]N[5a])(C[6a]N[6a]H){1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6,6a]N[6a])(C[5a]N[5a,6]H){1|B<4>,2|C<3>}	129.4600	0.000	1	129.4600	0.000	1	129.4600	0.000	1	126.4752	5.316	141	126.5539	5.199	201	126.5539	5.199	201
727	371	519	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a]	3:2:2:	3:3:	3:3:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|C<4>,2|C<3>,2|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|Br<1>,1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a]){1|C<4>,4|C<3>}	125.5030	0.000	1	125.5030	0.000	1	125.1273	5.199	48	126.4752	5.316	141	126.5539	5.199	201	126.5539	5.199	201
727	371	519	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a]	3:2:2:	3:3:	3:3:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]C[5])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|C<3>,1|C<4>,3|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]C[5]){1|Fe<10>,1|H<1>,2|C<3>,2|C<4>}	134.2540	0.000	1	134.2540	0.000	1	125.1273	5.199	48	126.4752	5.316	141	126.5539	5.199	201	126.5539	5.199	201
727	371	519	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a]	3:2:2:	3:3:	3:3:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|C<3>,1|N<3>,3|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H){1|H<1>,2|C<3>}	124.1130	0.000	1	124.4128	0.075	5	125.1273	5.199	48	126.4752	5.316	141	126.5539	5.199	201	126.5539	5.199	201
727	371	519	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a]	3:2:2:	3:3:	3:3:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|C<3>,4|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H){1|H<1>,2|C<3>}	124.4878	0.250	4	124.4128	0.075	5	125.1273	5.199	48	126.4752	5.316	141	126.5539	5.199	201	126.5539	5.199	201
727	371	519	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a]	3:2:2:	3:3:	3:3:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]Cl)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){2|Cl<1>,1|C<4>,1|H<1>,1|N<2>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]Cl){1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H){1|C<4>,2|C<3>}	126.0580	0.311	3	126.1047	0.073	4	125.1273	5.199	48	126.4752	5.316	141	126.5539	5.199	201	126.5539	5.199	201
727	371	519	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a]	3:2:2:	3:3:	3:3:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]Cl)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){2|Cl<1>,1|N<2>,2|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]Cl){1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H){1|H<1>,2|C<3>}	126.2450	0.000	1	126.1047	0.073	4	125.1273	5.199	48	126.4752	5.316	141	126.5539	5.199	201	126.5539	5.199	201
727	371	519	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a]	3:2:2:	3:3:	3:3:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|C<2>,1|C<4>,1|N<2>,2|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H){1|C<4>,2|C<3>}	126.2630	0.151	2	125.8993	0.703	21	125.1273	5.199	48	126.4752	5.316	141	126.5539	5.199	201	126.5539	5.199	201
727	371	519	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a]	3:2:2:	3:3:	3:3:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|C<4>,1|I<1>,1|N<2>,2|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H){1|C<4>,2|C<3>}	125.5760	0.000	1	125.8993	0.703	21	125.1273	5.199	48	126.4752	5.316	141	126.5539	5.199	201	126.5539	5.199	201
727	371	519	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a]	3:2:2:	3:3:	3:3:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,2|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H){1|C<4>,2|C<3>}	125.3820	0.000	1	125.8993	0.703	21	125.1273	5.199	48	126.4752	5.316	141	126.5539	5.199	201	126.5539	5.199	201
727	371	519	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a]	3:2:2:	3:3:	3:3:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|C<4>,1|N<2>,1|O<2>,2|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H){1|C<4>,2|C<3>}	126.5970	0.000	1	125.8993	0.703	21	125.1273	5.199	48	126.4752	5.316	141	126.5539	5.199	201	126.5539	5.199	201
727	371	519	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a]	3:2:2:	3:3:	3:3:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|C<4>,1|N<2>,3|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H){1|H<1>,2|C<3>}	126.7200	0.000	1	125.8993	0.703	21	125.1273	5.199	48	126.4752	5.316	141	126.5539	5.199	201	126.5539	5.199	201
727	371	519	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a]	3:2:2:	3:3:	3:3:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H){1|C<4>,2|C<3>}	125.0270	0.000	1	125.8993	0.703	21	125.1273	5.199	48	126.4752	5.316	141	126.5539	5.199	201	126.5539	5.199	201
727	371	519	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a]	3:2:2:	3:3:	3:3:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|Cl<1>,1|C<4>,1|N<2>,2|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H){1|C<4>,2|C<3>}	126.2253	0.197	3	125.8993	0.703	21	125.1273	5.199	48	126.4752	5.316	141	126.5539	5.199	201	126.5539	5.199	201
727	371	519	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a]	3:2:2:	3:3:	3:3:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|N<2>,1|N<3>,3|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H){1|H<1>,2|C<3>}	125.8130	1.112	9	125.8993	0.703	21	125.1273	5.199	48	126.4752	5.316	141	126.5539	5.199	201	126.5539	5.199	201
727	371	519	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a]	3:2:2:	3:3:	3:3:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|N<2>,4|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H){1|H<1>,2|C<3>}	126.1820	0.000	1	125.8993	0.703	21	125.1273	5.199	48	126.4752	5.316	141	126.5539	5.199	201	126.5539	5.199	201
727	371	519	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a]	3:2:2:	3:3:	3:3:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|N<3>,1|S<1>,2|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H){2|C<3>}	124.8820	0.000	1	125.8993	0.703	21	125.1273	5.199	48	126.4752	5.316	141	126.5539	5.199	201	126.5539	5.199	201
727	371	519	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a]	3:2:2:	3:3:	3:3:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]I)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|C<4>,1|H<1>,1|I<1>,1|N<2>,1|O<2>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]I){1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H){1|C<4>,2|C<3>}	125.5620	0.000	1	125.5620	0.000	1	125.1273	5.199	48	126.4752	5.316	141	126.5539	5.199	201	126.5539	5.199	201
727	371	519	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a]	3:2:2:	3:3:	3:3:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|C<2>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N){1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H){1|C<4>,2|C<3>}	125.4265	0.008	2	125.1740	0.949	5	125.1273	5.199	48	126.4752	5.316	141	126.5539	5.199	201	126.5539	5.199	201
727	371	519	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a]	3:2:2:	3:3:	3:3:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|C<4>,1|H<1>,1|O<1>,2|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N){1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H){1|C<4>,2|C<3>}	124.2350	0.144	2	125.1740	0.949	5	125.1273	5.199	48	126.4752	5.316	141	126.5539	5.199	201	126.5539	5.199	201
727	371	519	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a]	3:2:2:	3:3:	3:3:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|Rh<5>,1|H<1>,1|N<2>,2|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N){1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H){1|Rh<5>,2|C<3>}	126.5470	0.000	1	125.1740	0.949	5	125.1273	5.199	48	126.4752	5.316	141	126.5539	5.199	201	126.5539	5.199	201
727	371	519	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a]	3:2:2:	3:3:	3:3:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(N[5a]C[5a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]O[5a]N)	C[5a,6a](C[5a,6a]C[6a]O[5a])(N[5a]C[5a])(N[6a]C[6a]){1|C<3>,1|N<3>,2|C<4>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C){1|H<1>,1|O<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]O[5a]N){2|C<3>}	126.9890	0.127	2	126.9890	0.016	2	125.1273	5.199	48	126.4752	5.316	141	126.5539	5.199	201	126.5539	5.199	201
727	371	519	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a]	3:2:2:	3:3:	3:3:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]S[5a])(N[5a]C[5a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]S[5a]N[6])	C[5a,6a](C[5a,6a]C[6a]S[5a])(N[5a]C[5a])(N[6a]C[6a]){1|H<1>,1|N<3>,2|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2){1|H<1>,1|S<2>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]S[5a]N[6]){2|C<3>,2|C<4>}	121.5430	0.062	2	121.5430	0.004	2	125.1273	5.199	48	126.4752	5.316	141	126.5539	5.199	201	126.5539	5.199	201
727	371	519	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a]	3:2:2:	3:3:	3:3:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]S[5a])(N[5a]C[5a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]S[5a]N)	C[5a,6a](C[5a,6a]C[6a]S[5a])(N[5a]C[5a])(N[6a]C[6a]){1|H<1>,1|N<3>,2|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C){1|S<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]S[5a]N){2|C<3>}	121.6650	0.000	1	121.6650	0.000	1	125.1273	5.199	48	126.4752	5.316	141	126.5539	5.199	201	126.5539	5.199	201
727	371	519	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a]	3:2:2:	3:3:	3:3:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]S[5a])(N[5a]C[5a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]S[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(N[5a]C[5a])(N[6a]C[6a]){2|C<3>,2|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|H<1>,1|S<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]S[5a]){4|C<3>}	121.2540	0.495	2	121.2540	0.245	2	125.1273	5.199	48	126.4752	5.316	141	126.5539	5.199	201	126.5539	5.199	201
727	371	519	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a]	3:2:2:	3:3:	3:3:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]S[5a])(N[5a]C[5a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]S[5a]C)	C[5a,6a](C[5a,6a]C[6a]S[5a])(N[5a]C[5a])(N[6a]C[6a]){1|C<3>,1|C<4>,2|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|H<1>,1|S<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]S[5a]C){2|C<3>}	121.0740	0.134	2	121.0740	0.018	2	125.1273	5.199	48	126.4752	5.316	141	126.5539	5.199	201	126.5539	5.199	201
727	371	519	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a]	3:2:2:	3:3:	3:3:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]S[5a])(N[5a]C[5a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]S[5a]C[6])	C[5a,6a](C[5a,6a]C[6a]S[5a])(N[5a]C[5a])(N[6a]C[6a]){1|C<3>,1|C<4>,2|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|H<1>,1|S<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]S[5a]C[6]){1|H<1>,2|C<3>,2|C<4>}	121.1660	0.000	1	121.1660	0.000	1	125.1273	5.199	48	126.4752	5.316	141	126.5539	5.199	201	126.5539	5.199	201
727	371	519	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a]	3:2:2:	3:3:	3:3:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a,6a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a,6a]C[5a,6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a,6a])(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[5a]){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a,6a]C[5a,6a]C[6a]){1|N<2>,4|C<3>}	121.8620	0.000	1	121.8620	0.000	1	121.8620	0.000	1	126.4752	5.316	141	126.5539	5.199	201	126.5539	5.199	201
727	371	519	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a]	3:2:2:	3:3:	3:3:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(N[5a]N[5a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[5a,6a]N)	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(N[5a]N[5a])(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<2>,2|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[5a,6a]N){1|N<2>,1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a]C){1|H<1>,2|C<3>}	122.7540	0.088	3	122.7540	0.008	3	123.8133	0.762	16	126.4752	5.316	141	126.5539	5.199	201	126.5539	5.199	201
727	371	519	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a]	3:2:2:	3:3:	3:3:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a]Ru)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a])(N[6a]C[6a]){1|Ru<6>,2|C<3>,2|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|Br<1>,1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a]Ru){3|C<3>}	123.6180	0.000	1	123.6180	0.000	1	123.8133	0.762	16	126.4752	5.316	141	126.5539	5.199	201	126.5539	5.199	201
727	371	519	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a]	3:2:2:	3:3:	3:3:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a])(N[6a]C[6a]){1|C<4>,1|N<2>,1|O<2>,2|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a]C){1|H<1>,2|C<3>}	124.3510	1.194	2	124.3510	1.425	2	123.8133	0.762	16	126.4752	5.316	141	126.5539	5.199	201	126.5539	5.199	201
727	371	519	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a]	3:2:2:	3:3:	3:3:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a]C[5])	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a])(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,2|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a]C[5]){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	124.5220	0.000	1	124.5010	0.001	2	123.8133	0.762	16	126.4752	5.316	141	126.5539	5.199	201	126.5539	5.199	201
727	371	519	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a]	3:2:2:	3:3:	3:3:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a]C[5])	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a])(N[6a]C[6a]){1|C<4>,1|N<2>,3|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a]C[5]){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	124.4800	0.000	1	124.5010	0.001	2	123.8133	0.762	16	126.4752	5.316	141	126.5539	5.199	201	126.5539	5.199	201
727	371	519	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a]	3:2:2:	3:3:	3:3:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]S)	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a])(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|S<2>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]S){1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a]C){1|H<1>,2|C<3>}	123.7875	0.047	2	124.1198	0.148	4	123.8133	0.762	16	126.4752	5.316	141	126.5539	5.199	201	126.5539	5.199	201
727	371	519	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a]	3:2:2:	3:3:	3:3:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]S)	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a])(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<2>,2|S<2>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]S){1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a]C){1|H<1>,2|C<3>}	124.4520	0.040	2	124.1198	0.148	4	123.8133	0.762	16	126.4752	5.316	141	126.5539	5.199	201	126.5539	5.199	201
727	371	519	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a]	3:2:2:	3:3:	3:3:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]S)	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a]C[5])	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a])(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<2>,2|S<2>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]S){1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a]C[5]){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	123.1620	0.350	3	123.1620	0.123	3	123.8133	0.762	16	126.4752	5.316	141	126.5539	5.199	201	126.5539	5.199	201
727	371	519	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a]	3:2:2:	3:3:	3:3:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a])(N[6a]C[6a]){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a]C){2|C<3>}	125.4640	0.000	1	125.4640	0.000	1	123.8133	0.762	16	126.4752	5.316	141	126.5539	5.199	201	126.5539	5.199	201
727	371	519	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a]	3:2:2:	3:3:	3:3:	C[5a,6a]-3:N[6a]-2:N[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a,6a])(N[5a]N[5a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a]C[6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a,6a])(N[5a]N[5a]){1|Cl<1>,1|H<1>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,1|N<3>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a]C[6a]){1|Cl<1>,4|C<3>}	123.1990	0.000	1	123.1990	0.000	1	123.1990	0.000	1	126.4752	5.316	141	126.5539	5.199	201	126.5539	5.199	201
727	371	519	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a]	3:2:2:	3:3:	3:3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[6,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(N[6a]C[6,6a])	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6,6a]C[6,6a]C[6])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]N[6a])	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(N[6a]C[6,6a]){1|C<4>,1|H<1>,3|C<3>}	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6,6a]C[6,6a]C[6]){2|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]N[6a]){1|H<1>,4|C<3>}	126.2810	0.000	1	126.2810	0.000	1	126.2810	0.000	1	126.4752	5.316	141	126.5539	5.199	201	126.5539	5.199	201
727	371	519	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a]	3:2:2:	3:3:	3:3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a])(N[6a]C[6a])	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a,6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]N[6a])	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a])(N[6a]C[6a]){1|H<1>,4|C<3>}	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a,6a]H){4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]N[6a]){1|H<1>,4|C<3>}	124.7590	0.000	1	124.7590	0.000	1	125.4263	0.350	3	126.4752	5.316	141	126.5539	5.199	201	126.5539	5.199	201
727	371	519	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a]	3:2:2:	3:3:	3:3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(N[6a]C[6a])	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]N[6a])	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(N[6a]C[6a]){5|C<3>}	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]2){1|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]N[6a]){1|H<1>,4|C<3>}	125.8880	0.000	1	125.8880	0.000	1	125.4263	0.350	3	126.4752	5.316	141	126.5539	5.199	201	126.5539	5.199	201
727	371	519	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a]	3:2:2:	3:3:	3:3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(N[6a]C[6a])	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]N[6a])	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(N[6a]C[6a]){1|C<4>,4|C<3>}	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]C){4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]N[6a]){1|H<1>,4|C<3>}	125.6320	0.000	1	125.6320	0.000	1	125.4263	0.350	3	126.4752	5.316	141	126.5539	5.199	201	126.5539	5.199	201
727	371	519	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a]	3:2:2:	3:3:	3:3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(N[5a]C[5a])(N[6a]C[6a])	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]C)	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[5a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(N[5a]C[5a])(N[6a]C[6a]){1|C<3>,2|C<4>,2|H<1>}	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]C){1|H<1>,3|C<3>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[5a]H){1|H<1>,2|C<3>}	126.9805	0.118	2	126.9805	0.014	2	128.1398	0.754	69	126.4752	5.316	141	126.5539	5.199	201	126.5539	5.199	201
727	371	519	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a]	3:2:2:	3:3:	3:3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(N[5a]C[5a])(N[6a]C[6a])	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[5a]C)	C[5a,6a](N[5a,6a]C[5a]C[6a])(N[5a]C[5a])(N[6a]C[6a]){1|C<3>,1|C<4>,3|H<1>}	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H){1|H<1>,3|C<3>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[5a]C){1|H<1>,2|C<3>}	127.1847	0.655	3	127.1077	0.203	6	128.1398	0.754	69	126.4752	5.316	141	126.5539	5.199	201	126.5539	5.199	201
727	371	519	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a]	3:2:2:	3:3:	3:3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(N[5a]C[5a])(N[6a]C[6a])	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[5a]C)	C[5a,6a](N[5a,6a]C[5a]C[6a])(N[5a]C[5a])(N[6a]C[6a]){1|C<4>,2|C<3>,2|H<1>}	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H){1|H<1>,3|C<3>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[5a]C){1|C<4>,2|C<3>}	127.1205	0.276	2	127.1077	0.203	6	128.1398	0.754	69	126.4752	5.316	141	126.5539	5.199	201	126.5539	5.199	201
727	371	519	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a]	3:2:2:	3:3:	3:3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(N[5a]C[5a])(N[6a]C[6a])	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[5a]C)	C[5a,6a](N[5a,6a]C[5a]C[6a])(N[5a]C[5a])(N[6a]C[6a]){1|C<4>,2|C<3>,2|H<1>}	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H){1|H<1>,3|C<3>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[5a]C){3|C<3>}	126.8510	0.000	1	127.1077	0.203	6	128.1398	0.754	69	126.4752	5.316	141	126.5539	5.199	201	126.5539	5.199	201
727	371	519	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a]	3:2:2:	3:3:	3:3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(N[5a]C[5a])(N[6a]C[6a])	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[5a]C[6a])	C[5a,6a](N[5a,6a]C[5a]C[6a])(N[5a]C[5a])(N[6a]C[6a]){1|N<2>,2|C<3>,2|H<1>}	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H){1|H<1>,3|C<3>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[5a]C[6a]){1|N<2>,4|C<3>}	125.7350	0.000	1	126.2905	0.617	2	128.1398	0.754	69	126.4752	5.316	141	126.5539	5.199	201	126.5539	5.199	201
727	371	519	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a]	3:2:2:	3:3:	3:3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(N[5a]C[5a])(N[6a]C[6a])	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[5a]C[6a])	C[5a,6a](N[5a,6a]C[5a]C[6a])(N[5a]C[5a])(N[6a]C[6a]){1|N<3>,2|C<3>,2|H<1>}	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H){1|H<1>,3|C<3>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[5a]C[6a]){1|N<3>,4|C<3>}	126.8460	0.000	1	126.2905	0.617	2	128.1398	0.754	69	126.4752	5.316	141	126.5539	5.199	201	126.5539	5.199	201
727	371	519	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a]	3:2:2:	3:3:	3:3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(N[5a]C[5a])(N[6a]C[6a])	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[5a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(N[5a]C[5a])(N[6a]C[6a]){2|C<3>,3|H<1>}	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H){1|H<1>,3|C<3>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[5a]H){3|C<3>}	127.2145	0.293	2	127.2145	0.086	2	128.1398	0.754	69	126.4752	5.316	141	126.5539	5.199	201	126.5539	5.199	201
727	371	519	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a]	3:2:2:	3:3:	3:3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(N[5a]C[5a])(N[6a]C[6a])	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[5a]N)	C[5a,6a](N[5a,6a]C[5a]C[6a])(N[5a]C[5a])(N[6a]C[6a]){1|N<3>,2|C<3>,2|H<1>}	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H){1|H<1>,3|C<3>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[5a]N){3|C<3>}	126.6640	0.000	1	126.6640	0.000	1	128.1398	0.754	69	126.4752	5.316	141	126.5539	5.199	201	126.5539	5.199	201
727	371	519	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a]	3:2:2:	3:3:	3:3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(N[5a]C[5a])(N[6a]C[6a])	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]N[6a]C)	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[5a]C[6a])	C[5a,6a](N[5a,6a]C[5a]C[6a])(N[5a]C[5a])(N[6a]C[6a]){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]N[6a]C){3|C<3>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[5a]C[6a]){1|H<1>,4|C<3>}	127.7483	0.401	3	127.7483	0.160	3	128.1398	0.754	69	126.4752	5.316	141	126.5539	5.199	201	126.5539	5.199	201
727	371	519	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a]	3:2:2:	3:3:	3:3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(N[5a]C[5a])(N[6a]C[6a])	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]N[6a]H)	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[5a]C[6a])	C[5a,6a](N[5a,6a]C[5a]C[6a])(N[5a]C[5a])(N[6a]C[6a]){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]N[6a]H){3|C<3>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[5a]C[6a]){1|H<1>,4|C<3>}	127.3720	0.000	1	127.3720	0.000	1	128.1398	0.754	69	126.4752	5.316	141	126.5539	5.199	201	126.5539	5.199	201
727	371	519	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a]	3:2:2:	3:3:	3:3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(N[5a]C[5a])(N[6a]C[6a])	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]N[6a]N)	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[5a]C[6a])	C[5a,6a](N[5a,6a]C[5a]C[6a])(N[5a]C[5a])(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]N[6a]N){3|C<3>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[5a]C[6a]){5|C<3>}	126.9630	0.621	2	126.9630	0.385	2	128.1398	0.754	69	126.4752	5.316	141	126.5539	5.199	201	126.5539	5.199	201
727	371	519	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a]	3:2:2:	3:3:	3:3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a,6a]Cl)	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]S)	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|Cl<1>,1|S<4>,2|C<3>}	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a,6a]Cl){1|N<2>,3|C<3>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]S){2|C<3>}	127.8260	0.000	1	127.8260	0.000	1	128.1398	0.754	69	126.4752	5.316	141	126.5539	5.199	201	126.5539	5.199	201
727	371	519	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a]	3:2:2:	3:3:	3:3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]2)	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|C<4>,1|H<1>,2|C<3>}	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]2){1|N<2>,5|C<3>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]H){2|C<3>}	128.6480	0.000	1	128.4200	0.168	3	128.1398	0.754	69	126.4752	5.316	141	126.5539	5.199	201	126.5539	5.199	201
727	371	519	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a]	3:2:2:	3:3:	3:3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]2)	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|H<1>,3|C<3>}	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]2){1|H<1>,1|N<2>,4|C<3>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]H){2|C<3>}	127.9470	0.000	1	128.4200	0.168	3	128.1398	0.754	69	126.4752	5.316	141	126.5539	5.199	201	126.5539	5.199	201
727	371	519	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a]	3:2:2:	3:3:	3:3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]2)	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){2|C<3>,2|H<1>}	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]2){1|H<1>,1|N<2>,4|C<3>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]H){2|C<3>}	128.6650	0.000	1	128.4200	0.168	3	128.1398	0.754	69	126.4752	5.316	141	126.5539	5.199	201	126.5539	5.199	201
727	371	519	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a]	3:2:2:	3:3:	3:3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]Br)	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|Br<1>,1|C<3>,2|H<1>}	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]Br){1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]H){2|C<3>}	128.7840	0.000	1	128.7840	0.000	1	128.1398	0.754	69	126.4752	5.316	141	126.5539	5.199	201	126.5539	5.199	201
727	371	519	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a]	3:2:2:	3:3:	3:3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]C)	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]C){1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]H){2|C<3>}	129.4350	0.000	1	128.5968	0.289	20	128.1398	0.754	69	126.4752	5.316	141	126.5539	5.199	201	126.5539	5.199	201
727	371	519	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a]	3:2:2:	3:3:	3:3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]C)	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|C<3>,1|C<4>,2|H<1>}	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]C){1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]H){2|C<3>}	128.4290	0.000	1	128.5968	0.289	20	128.1398	0.754	69	126.4752	5.316	141	126.5539	5.199	201	126.5539	5.199	201
727	371	519	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a]	3:2:2:	3:3:	3:3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]C)	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|C<3>,1|H<1>,2|C<4>}	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]C){1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]H){2|C<3>}	128.6376	0.504	16	128.5968	0.289	20	128.1398	0.754	69	126.4752	5.316	141	126.5539	5.199	201	126.5539	5.199	201
727	371	519	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a]	3:2:2:	3:3:	3:3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]C)	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|C<4>,1|H<1>,2|C<3>}	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]C){1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]H){2|C<3>}	127.9350	0.215	2	128.5968	0.289	20	128.1398	0.754	69	126.4752	5.316	141	126.5539	5.199	201	126.5539	5.199	201
727	371	519	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a]	3:2:2:	3:3:	3:3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]C)	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]N)	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|C<3>,1|N<3>,2|C<4>}	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]C){1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]N){2|C<3>}	128.6160	0.386	3	128.6160	0.149	3	128.1398	0.754	69	126.4752	5.316	141	126.5539	5.199	201	126.5539	5.199	201
727	371	519	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a]	3:2:2:	3:3:	3:3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]C)	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]O)	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|C<3>,1|O<2>,2|C<4>}	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]C){1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]O){2|C<3>}	128.1205	0.186	2	128.1205	0.035	2	128.1398	0.754	69	126.4752	5.316	141	126.5539	5.199	201	126.5539	5.199	201
727	371	519	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a]	3:2:2:	3:3:	3:3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]C)	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]S)	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|C<3>,1|C<4>,1|H<1>,1|S<4>}	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]C){1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]S){2|C<3>}	128.3980	0.000	1	128.2362	0.137	5	128.1398	0.754	69	126.4752	5.316	141	126.5539	5.199	201	126.5539	5.199	201
727	371	519	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a]	3:2:2:	3:3:	3:3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]C)	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]S)	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|C<3>,1|S<2>,2|C<4>}	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]C){1|C<4>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]S){2|C<3>}	128.2100	0.303	2	128.2362	0.137	5	128.1398	0.754	69	126.4752	5.316	141	126.5539	5.199	201	126.5539	5.199	201
727	371	519	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a]	3:2:2:	3:3:	3:3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]C)	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]S)	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|C<3>,1|S<2>,2|C<4>}	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]C){1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]S){2|C<3>}	128.6410	0.000	1	128.2362	0.137	5	128.1398	0.754	69	126.4752	5.316	141	126.5539	5.199	201	126.5539	5.199	201
727	371	519	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a]	3:2:2:	3:3:	3:3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]C)	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]S)	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|S<2>,3|C<3>}	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]C){1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]S){2|C<3>}	127.7220	0.000	1	128.2362	0.137	5	128.1398	0.754	69	126.4752	5.316	141	126.5539	5.199	201	126.5539	5.199	201
727	371	519	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a]	3:2:2:	3:3:	3:3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[6a]N[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|H<1>,3|C<3>}	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H){1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[6a]N[5a]){4|C<3>}	128.2257	0.760	3	128.4425	0.573	4	128.1398	0.754	69	126.4752	5.316	141	126.5539	5.199	201	126.5539	5.199	201
727	371	519	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a]	3:2:2:	3:3:	3:3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[6a]N[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){2|C<3>,2|H<1>}	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H){1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[6a]N[5a]){4|C<3>}	129.0930	0.000	1	128.4425	0.573	4	128.1398	0.754	69	126.4752	5.316	141	126.5539	5.199	201	126.5539	5.199	201
727	371	519	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a]	3:2:2:	3:3:	3:3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|C<3>,1|C<4>,2|H<1>}	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H){1|C<2>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]H){2|C<3>}	129.5360	0.000	1	128.3600	0.712	5	128.1398	0.754	69	126.4752	5.316	141	126.5539	5.199	201	126.5539	5.199	201
727	371	519	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a]	3:2:2:	3:3:	3:3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|C<3>,1|N<3>,2|H<1>}	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H){1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]H){2|C<3>}	128.5660	0.344	2	128.3600	0.712	5	128.1398	0.754	69	126.4752	5.316	141	126.5539	5.199	201	126.5539	5.199	201
727	371	519	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a]	3:2:2:	3:3:	3:3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){2|C<3>,2|H<1>}	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H){1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]H){2|C<3>}	127.5660	0.025	2	128.3600	0.712	5	128.1398	0.754	69	126.4752	5.316	141	126.5539	5.199	201	126.5539	5.199	201
727	371	519	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a]	3:2:2:	3:3:	3:3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]S)	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|C<3>,1|H<1>,1|N<3>,1|S<2>}	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H){1|N<2>,3|C<3>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]S){2|C<3>}	128.7275	0.238	2	128.7275	0.057	2	128.1398	0.754	69	126.4752	5.316	141	126.5539	5.199	201	126.5539	5.199	201
727	371	519	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a]	3:2:2:	3:3:	3:3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]N[6a]N)	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[6a]N[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]N[6a]N){1|N<2>,2|C<3>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[6a]N[5a]){4|C<3>}	130.2980	0.000	1	129.2947	1.209	3	128.1398	0.754	69	126.4752	5.316	141	126.5539	5.199	201	126.5539	5.199	201
727	371	519	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a]	3:2:2:	3:3:	3:3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]N[6a]N)	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[6a]N[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|C<3>,1|N<2>,2|N<3>}	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]N[6a]N){1|N<2>,2|C<3>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[6a]N[5a]){4|C<3>}	128.7930	0.953	2	129.2947	1.209	3	128.1398	0.754	69	126.4752	5.316	141	126.5539	5.199	201	126.5539	5.199	201
727	371	519	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a]	3:2:2:	3:3:	3:3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]N[6a]N)	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]N)	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|N<3>,3|N<2>}	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]N[6a]N){1|N<2>,2|C<3>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]N){2|C<3>}	128.8370	0.000	1	128.8370	0.000	1	128.1398	0.754	69	126.4752	5.316	141	126.5539	5.199	201	126.5539	5.199	201
727	371	519	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	N[5a]	3:2:2:	3:3:	3:3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:N[6a]-3:	C[5a,6a]-3:C[5a]-3:	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)	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]N)	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>}	N[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]N[6a]O){1|N<2>,2|C<3>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]N){1|C<3>,1|N<3>}	127.1520	0.000	1	127.1520	0.000	1	127.1520	0.000	1	126.4752	5.316	141	126.5539	5.199	201	126.5539	5.199	201
727	371	537	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	O[5a]	3:2:2:	3:2:	3:3:	C[5a,6a]-3:N[6a]-2:O[5a]-2:	C[5a,6a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:	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])	O[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C)	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>}	N[6a](C[5a,6a]C[5a,6a]O[5a])(N[6a]C[6a]){1|H<1>,3|C<3>}	O[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C){1|C<3>,1|H<1>,1|N<2>}	120.0000	0.134	2	120.0000	0.018	2	120.0000	0.018	2	120.0000	0.018	2	121.5111	6.708	36	121.5111	6.708	36
727	371	537	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	O[5a]	3:2:2:	3:3:	3:2:	C[5a,6a]-3:N[6a]-2:O[5a]-2:	C[5a,6a]-3:C[5,6a]-3:	C[5a,6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[5,6a])(O[5a]N[5a])	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[5,6a]C[5,6a]C[5])	O[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[5,6a])(O[5a]N[5a]){2|C<3>,2|C<4>}	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[5,6a]C[5,6a]C[5]){1|N<2>,1|O<2>,2|H<1>,3|C<3>}	O[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a]){1|C<4>,2|C<3>}	120.6690	0.000	2	120.6690	0.000	2	120.6690	0.000	2	120.9270	0.092	4	121.5111	6.708	36	121.5111	6.708	36
727	371	537	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	O[5a]	3:2:2:	3:3:	3:2:	C[5a,6a]-3:N[6a]-2:O[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a,6a])(O[5a]N[5a])	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a])	O[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a,6a])(O[5a]N[5a]){4|C<3>}	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,1|N<2>,4|C<3>}	O[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a]){3|C<3>}	121.2550	0.000	1	121.2550	0.000	1	121.2550	0.000	1	120.9270	0.092	4	121.5111	6.708	36	121.5111	6.708	36
727	371	537	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	O[5a]	3:2:2:	3:3:	3:2:	C[5a,6a]-3:N[6a]-2:O[5a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a])(O[5a]N[5a])	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)	O[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a])(O[5a]N[5a]){1|C<3>,1|C<4>,2|H<1>}	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H){1|N<2>,3|C<3>}	O[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a]){1|C<4>,2|C<3>}	121.1150	0.000	1	121.1150	0.000	1	121.1150	0.000	1	120.9270	0.092	4	121.5111	6.708	36	121.5111	6.708	36
727	371	537	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	O[5a]	3:2:2:	3:3:	3:3:	C[5a,6a]-3:N[6a]-2:O[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[6a]C[5a,6a])(O[5a]C[5a,6a])	N[6a](C[5a,6a]C[5a,6a]O[5a])2	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[6a]C[5a,6a])(O[5a]C[5a,6a]){1|H<1>,1|O<2>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]O[5a])2{5|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a]){1|H<1>,4|C<3>}	119.8570	0.072	2	119.8570	0.005	2	119.8570	0.005	2	120.2636	2.796	22	121.5111	6.708	36	121.5111	6.708	36
727	371	537	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	O[5a]	3:2:2:	3:3:	3:3:	C[5a,6a]-3:N[6a]-2:O[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a,6a])(O[5a]C[5a])	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a])	O[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a,6a])(O[5a]C[5a]){1|O<2>,2|C<3>,2|H<1>}	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,5|C<3>}	O[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H){1|H<1>,2|C<3>}	119.3790	0.055	2	119.3075	0.008	4	120.6377	4.281	6	120.2636	2.796	22	121.5111	6.708	36	121.5111	6.708	36
727	371	537	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	O[5a]	3:2:2:	3:3:	3:3:	C[5a,6a]-3:N[6a]-2:O[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a,6a])(O[5a]C[5a])	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a])	O[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a,6a])(O[5a]C[5a]){1|O<2>,2|C<3>,2|H<1>}	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a]){1|O<2>,5|C<3>}	O[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H){1|H<1>,2|C<3>}	119.2360	0.040	2	119.3075	0.008	4	120.6377	4.281	6	120.2636	2.796	22	121.5111	6.708	36	121.5111	6.708	36
727	371	537	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	O[5a]	3:2:2:	3:3:	3:3:	C[5a,6a]-3:N[6a]-2:O[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]N[6a])(N[6a]C[6a,6a])(O[5a]C[5a])	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a])	O[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C[6])	C[5a,6a](C[5a,6a]C[5a]N[6a])(N[6a]C[6a,6a])(O[5a]C[5a]){1|H<1>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,1|N<2>,4|C<3>}	O[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C[6]){1|C<2>,1|H<1>,1|N<2>,2|C<3>}	123.5680	0.000	1	123.5680	0.000	1	120.6377	4.281	6	120.2636	2.796	22	121.5111	6.708	36	121.5111	6.708	36
727	371	537	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	O[5a]	3:2:2:	3:3:	3:3:	C[5a,6a]-3:N[6a]-2:O[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]N[6a])(N[6a]C[6a,6a])(O[5a]C[5a])	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a])	O[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C[6a])	C[5a,6a](C[5a,6a]C[5a]N[6a])(N[6a]C[6a,6a])(O[5a]C[5a]){1|H<1>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,1|N<2>,4|C<3>}	O[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C[6a]){1|H<1>,1|N<2>,3|C<3>}	123.0280	0.000	1	123.0280	0.000	1	120.6377	4.281	6	120.2636	2.796	22	121.5111	6.708	36	121.5111	6.708	36
727	371	537	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	O[5a]	3:2:2:	3:3:	3:3:	C[5a,6a]-3:N[6a]-2:O[5a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a])(O[5a]C[5a])	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]2)	O[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a])(O[5a]C[5a]){1|N<3>,4|C<3>}	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]2){1|H<1>,5|C<3>}	O[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C){1|N<3>,2|C<3>}	119.4140	0.000	1	119.4140	0.000	1	120.7490	2.937	9	120.2636	2.796	22	121.5111	6.708	36	121.5111	6.708	36
727	371	537	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	O[5a]	3:2:2:	3:3:	3:3:	C[5a,6a]-3:N[6a]-2:O[5a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a])(O[5a]C[5a])	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]2)	O[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C[6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a])(O[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]2){1|C<4>,5|C<3>}	O[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C[6a]){1|C<4>,4|C<3>}	121.0670	0.000	1	121.0670	0.000	1	120.7490	2.937	9	120.2636	2.796	22	121.5111	6.708	36	121.5111	6.708	36
727	371	537	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	O[5a]	3:2:2:	3:3:	3:3:	C[5a,6a]-3:N[6a]-2:O[5a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a])(O[5a]C[5a])	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]N[6a]N)	O[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a])(O[5a]C[5a]){1|C<3>,1|C<4>,1|O<1>,2|N<3>}	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]N[6a]N){4|C<3>}	O[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C){3|C<3>}	117.7500	0.000	1	117.7500	0.000	1	120.7490	2.937	9	120.2636	2.796	22	121.5111	6.708	36	121.5111	6.708	36
727	371	537	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	O[5a]	3:2:2:	3:3:	3:3:	C[5a,6a]-3:N[6a]-2:O[5a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a])(O[5a]C[5a])	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]N[6a]O)	O[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a])(O[5a]C[5a]){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>}	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]N[6a]O){4|C<3>}	O[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C){3|C<3>}	118.7710	0.000	1	120.0800	3.427	2	120.7490	2.937	9	120.2636	2.796	22	121.5111	6.708	36	121.5111	6.708	36
727	371	537	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	O[5a]	3:2:2:	3:3:	3:3:	C[5a,6a]-3:N[6a]-2:O[5a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a])(O[5a]C[5a])	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]N[6a]O)	O[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a])(O[5a]C[5a]){1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]N[6a]O){1|C<4>,3|C<3>}	O[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C){1|H<1>,2|C<3>}	121.3890	0.000	1	120.0800	3.427	2	120.7490	2.937	9	120.2636	2.796	22	121.5111	6.708	36	121.5111	6.708	36
727	371	537	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	O[5a]	3:2:2:	3:3:	3:3:	C[5a,6a]-3:N[6a]-2:O[5a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a])(O[5a]C[5a])	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]N[6a]O)	O[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C[6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a])(O[5a]C[5a]){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]N[6a]O){1|C<4>,3|C<3>}	O[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C[6a]){1|H<1>,1|N<2>,3|C<3>}	121.5890	0.000	1	121.5890	0.000	1	120.7490	2.937	9	120.2636	2.796	22	121.5111	6.708	36	121.5111	6.708	36
727	371	537	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	O[5a]	3:2:2:	3:3:	3:3:	C[5a,6a]-3:N[6a]-2:O[5a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(N[6a]C[6a])(O[5a]C[5a])	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a,6a]H)	O[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(N[6a]C[6a])(O[5a]C[5a]){1|H<1>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a,6a]H){1|N<2>,3|C<3>}	O[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a]){4|C<3>}	122.3510	0.860	2	122.3510	0.739	2	120.7490	2.937	9	120.2636	2.796	22	121.5111	6.708	36	121.5111	6.708	36
727	371	537	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	O[5a]	3:2:2:	3:3:	3:3:	C[5a,6a]-3:N[6a]-2:O[5a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a])(O[5a]C[5a])	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]N[6a]C)	O[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]C[5])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a])(O[5a]C[5a]){1|N<2>,1|N<3>,2|C<4>}	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]N[6a]C){1|N<2>,2|C<3>}	O[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]C[5]){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	122.0590	0.000	1	122.0590	0.000	1	120.7490	2.937	9	120.2636	2.796	22	121.5111	6.708	36	121.5111	6.708	36
727	371	537	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	O[5a]	3:2:2:	3:3:	3:3:	C[5a,6a]-3:O[5a]-2:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(O[5a]C[5a,6a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a,6a]H)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(O[5a]C[5a,6a])(N[6a]C[6a]){1|H<1>,1|N<2>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a,6a]H){4|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a]){1|H<1>,4|C<3>}	117.5240	0.000	1	117.5240	0.000	1	119.1036	0.950	5	120.2636	2.796	22	121.5111	6.708	36	121.5111	6.708	36
727	371	537	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	O[5a]	3:2:2:	3:3:	3:3:	C[5a,6a]-3:O[5a]-2:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]C)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(N[6a]C[6a]){1|C<4>,1|H<1>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]C){1|H<1>,3|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a]){5|C<3>}	119.8865	0.279	2	119.8865	0.078	2	119.1036	0.950	5	120.2636	2.796	22	121.5111	6.708	36	121.5111	6.708	36
727	371	537	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	O[5a]	3:2:2:	3:3:	3:3:	C[5a,6a]-3:O[5a]-2:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]N[6a]H)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]N[6a]H){3|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a]){1|H<1>,4|C<3>}	119.1090	0.000	1	119.1090	0.000	1	119.1036	0.950	5	120.2636	2.796	22	121.5111	6.708	36	121.5111	6.708	36
727	371	537	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	O[5a]	3:2:2:	3:3:	3:3:	C[5a,6a]-3:O[5a]-2:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]N[6a]N)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(N[6a]C[6a]){1|N<2>,1|N<3>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]N[6a]N){3|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a]){1|H<1>,4|C<3>}	119.1120	0.000	1	119.1120	0.000	1	119.1036	0.950	5	120.2636	2.796	22	121.5111	6.708	36	121.5111	6.708	36
727	371	537	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	O[5a]	3:2:2:	3:3:	3:4:	C[5a,6a]-3:O[5a]-2:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:B[5a,5a]-4:	C[5a,6a](C[5a,6a]N[6a]O[5a])(O[5a]B[5a,5a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]C)	O[5a](C[5a,6a]C[5a,6a]N[6a])(B[5a,5a]O[5a]3)	C[5a,6a](C[5a,6a]N[6a]O[5a])(O[5a]B[5a,5a])(N[6a]C[6a]){1|C<2>,1|C<3>,2|O<2>}	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]C){1|B<4>,1|C<2>,1|N<2>,1|O<2>}	O[5a](C[5a,6a]C[5a,6a]N[6a])(B[5a,5a]O[5a]3){1|N<2>,3|C<3>}	125.7090	0.303	4	125.7090	0.092	4	125.6116	0.157	8	125.6116	0.157	8	121.5111	6.708	36	121.5111	6.708	36
727	371	537	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	O[5a]	3:2:2:	3:3:	3:4:	C[5a,6a]-3:O[5a]-2:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:B[5a,5a]-4:	C[5a,6a](C[5a,6a]N[6a]O[5a])(O[5a]B[5a,5a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)	O[5a](C[5a,6a]C[5a,6a]N[6a])(B[5a,5a]O[5a]3)	C[5a,6a](C[5a,6a]N[6a]O[5a])(O[5a]B[5a,5a])(N[6a]C[6a]){1|C<3>,1|H<1>,2|O<2>}	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H){1|B<4>,1|H<1>,1|N<2>,1|O<2>}	O[5a](C[5a,6a]C[5a,6a]N[6a])(B[5a,5a]O[5a]3){1|N<2>,3|C<3>}	125.5143	0.499	4	125.5143	0.249	4	125.6116	0.157	8	125.6116	0.157	8	121.5111	6.708	36	121.5111	6.708	36
727	371	542	0:SP2_SP2_SP2	C[5,6a]	N[6a]	N[5,6]	3:3:2:	3:3:	3:3:3:	C[5,6a]-3:N[5,6]-3:N[6a]-2:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:C[6]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]C[6])(N[6a]C[6a])	N[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]N[6a])(C[5,6]C[5a,6]N[5])(C[6]C[6]C)	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]C[6])(N[6a]C[6a]){1|C<4>,3|C<3>,3|H<1>}	N[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H){1|Br<1>,1|N<3>,3|C<3>}	N[5,6](C[5,6a]C[5,6a]N[6a])(C[5,6]C[5a,6]N[5])(C[6]C[6]C){1|N<3>,2|H<1>,3|C<3>}	127.5360	0.000	1	127.5360	0.000	1	127.5360	0.000	1	127.5360	0.000	1	128.0860	0.605	2	125.8013	3.941	178
727	371	542	0:SP2_SP2_SP2	C[5,6a]	N[6a]	N[5,6]	3:3:2:	3:3:	3:4:3:	N[5,6]-3:N[5,6a]-3:N[6a]-2:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6]-4:C[5,6]-3:	C[5,6a](N[5,6]C[5,6]C[6])(N[5,6a]C[6a]N[5])(N[6a]C[6a])	N[6a](C[5,6a]N[5,6a]N[5,6])(C[6a]C[6a]C)	N[5,6](C[5,6a]N[5,6a]N[6a])(C[6]C[6,6]C[6a]H)(C[5,6]N[5]N[6])	C[5,6a](N[5,6]C[5,6]C[6])(N[5,6a]C[6a]N[5])(N[6a]C[6a]){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	N[6a](C[5,6a]N[5,6a]N[5,6])(C[6a]C[6a]C){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5,6](C[5,6a]N[5,6a]N[6a])(C[6]C[6,6]C[6a]H)(C[5,6]N[5]N[6]){1|H<1>,6|C<3>}	128.6360	0.000	1	128.6360	0.000	1	128.6360	0.000	1	128.6360	0.000	1	128.0860	0.605	2	125.8013	3.941	178
727	371	542	0:SP2_SP2_SP2	C[5,6a]	N[6a]	N[5]	3:2:3:	3:3:	3:3:1:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]H)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[5a]N[6a])	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|C<3>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[5a]N[6a]){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]O)(H){1|C<4>,3|C<3>}	124.2070	0.000	1	124.2070	0.000	1	126.7088	1.998	33	127.0599	2.584	43	125.7753	3.922	176	125.8013	3.941	178
727	371	542	0:SP2_SP2_SP2	C[5,6a]	N[6a]	N[5]	3:2:3:	3:3:	3:3:1:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]H)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]2)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]H){1|O<1>,2|C<3>,2|H<1>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]2)(H){1|N<3>,1|O<1>,3|C<3>}	124.3740	0.000	1	124.3740	0.000	1	126.7088	1.998	33	127.0599	2.584	43	125.7753	3.922	176	125.8013	3.941	178
727	371	542	0:SP2_SP2_SP2	C[5,6a]	N[6a]	N[5]	3:2:3:	3:3:	3:3:1:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H){1|Ag<4>,1|N<2>,1|S<2>,2|H<1>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]H){1|H<1>,1|N<3>,2|C<3>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(H){1|Ag<4>,2|C<3>}	127.8220	0.000	1	127.1292	1.310	17	126.7088	1.998	33	127.0599	2.584	43	125.7753	3.922	176	125.8013	3.941	178
727	371	542	0:SP2_SP2_SP2	C[5,6a]	N[6a]	N[5]	3:2:3:	3:3:	3:3:1:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H){1|Cu<4>,1|N<2>,1|S<2>,2|H<1>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]H){1|H<1>,1|N<3>,2|C<3>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(H){1|Cu<4>,2|C<3>}	129.5350	0.000	1	127.1292	1.310	17	126.7088	1.998	33	127.0599	2.584	43	125.7753	3.922	176	125.8013	3.941	178
727	371	542	0:SP2_SP2_SP2	C[5,6a]	N[6a]	N[5]	3:2:3:	3:3:	3:3:1:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H){1|Cu<4>,1|N<2>,1|S<3>,2|H<1>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]H){1|H<1>,1|N<3>,2|C<3>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(H){1|Cu<4>,2|C<3>}	128.8770	0.000	1	127.1292	1.310	17	126.7088	1.998	33	127.0599	2.584	43	125.7753	3.922	176	125.8013	3.941	178
727	371	542	0:SP2_SP2_SP2	C[5,6a]	N[6a]	N[5]	3:2:3:	3:3:	3:3:1:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H){1|N<2>,1|N<3>,3|H<1>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]H){1|H<1>,1|N<3>,2|C<3>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(H){1|H<1>,2|C<3>}	127.3738	0.690	4	127.1292	1.310	17	126.7088	1.998	33	127.0599	2.584	43	125.7753	3.922	176	125.8013	3.941	178
727	371	542	0:SP2_SP2_SP2	C[5,6a]	N[6a]	N[5]	3:2:3:	3:3:	3:3:1:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H){1|N<3>,1|O<1>,3|H<1>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]H){1|N<3>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(H){1|H<1>,2|C<3>}	126.0602	0.333	5	127.1292	1.310	17	126.7088	1.998	33	127.0599	2.584	43	125.7753	3.922	176	125.8013	3.941	178
727	371	542	0:SP2_SP2_SP2	C[5,6a]	N[6a]	N[5]	3:2:3:	3:3:	3:3:1:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H){1|N<3>,1|S<1>,3|H<1>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]H){1|N<3>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(H){1|H<1>,2|C<3>}	126.4180	0.000	1	127.1292	1.310	17	126.7088	1.998	33	127.0599	2.584	43	125.7753	3.922	176	125.8013	3.941	178
727	371	542	0:SP2_SP2_SP2	C[5,6a]	N[6a]	N[5]	3:2:3:	3:3:	3:3:1:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H){1|Zn<4>,1|N<2>,3|H<1>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]H){1|H<1>,1|N<3>,2|C<3>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(H){1|Zn<4>,2|C<3>}	127.9720	0.669	2	127.1292	1.310	17	126.7088	1.998	33	127.0599	2.584	43	125.7753	3.922	176	125.8013	3.941	178
727	371	542	0:SP2_SP2_SP2	C[5,6a]	N[6a]	N[5]	3:2:3:	3:3:	3:3:1:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H){2|N<3>,3|H<1>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]H){1|N<3>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(H){1|H<1>,2|C<3>}	126.4025	0.619	2	127.1292	1.310	17	126.7088	1.998	33	127.0599	2.584	43	125.7753	3.922	176	125.8013	3.941	178
727	371	542	0:SP2_SP2_SP2	C[5,6a]	N[6a]	N[5]	3:2:3:	3:3:	3:3:1:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H){1|C<4>,1|H<1>,1|O<1>,2|N<3>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N){1|N<3>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(H){1|C<4>,2|C<3>}	126.0240	0.341	5	126.5438	2.144	14	126.7088	1.998	33	127.0599	2.584	43	125.7753	3.922	176	125.8013	3.941	178
727	371	542	0:SP2_SP2_SP2	C[5,6a]	N[6a]	N[5]	3:2:3:	3:3:	3:3:1:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H){1|Co<6>,1|H<1>,1|N<2>,2|N<3>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N){1|H<1>,1|N<3>,2|C<3>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(H){1|Co<6>,2|C<3>}	126.7500	0.000	1	126.5438	2.144	14	126.7088	1.998	33	127.0599	2.584	43	125.7753	3.922	176	125.8013	3.941	178
727	371	542	0:SP2_SP2_SP2	C[5,6a]	N[6a]	N[5]	3:2:3:	3:3:	3:3:1:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H){1|O<1>,2|H<1>,2|N<3>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N){1|N<3>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(H){1|H<1>,2|C<3>}	126.3614	1.433	7	126.5438	2.144	14	126.7088	1.998	33	127.0599	2.584	43	125.7753	3.922	176	125.8013	3.941	178
727	371	542	0:SP2_SP2_SP2	C[5,6a]	N[6a]	N[5]	3:2:3:	3:3:	3:3:1:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H){1|Ru<9>,1|H<1>,1|S<2>,2|N<2>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N){1|H<1>,1|N<3>,2|C<3>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(H){1|Ru<9>,2|C<3>}	130.2130	0.000	1	126.5438	2.144	14	126.7088	1.998	33	127.0599	2.584	43	125.7753	3.922	176	125.8013	3.941	178
727	371	542	0:SP2_SP2_SP2	C[5,6a]	N[6a]	N[5]	3:2:3:	3:3:	3:3:1:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:N[5]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]N[5]H)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]N[6a])(N[5]C[5]Os)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]N[5]H){1|Os<9>,2|C<3>,2|H<1>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|N<3>,2|C<3>}	N[5](C[5,6a]C[5,6a]N[6a])(N[5]C[5]Os)(H){3|C<3>}	125.5480	0.000	1	125.5480	0.000	1	125.0955	0.410	2	127.0599	2.584	43	125.7753	3.922	176	125.8013	3.941	178
727	371	542	0:SP2_SP2_SP2	C[5,6a]	N[6a]	N[5]	3:2:3:	3:3:	3:3:1:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:N[5]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]N[5]H)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]N[6a])(N[5]C[5]Ru)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]N[5]H){1|Ru<6>,2|C<3>,2|H<1>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]N[6a])(N[5]C[5]Ru)(H){3|C<3>}	124.6430	0.000	1	124.6430	0.000	1	125.0955	0.410	2	127.0599	2.584	43	125.7753	3.922	176	125.8013	3.941	178
727	371	542	0:SP2_SP2_SP2	C[5,6a]	N[6a]	N[5]	3:2:3:	3:3:	3:3:1:	N[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a](N[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]H)	N[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]C)	N[5](C[5,6a]N[5,6a]N[6a])(C[5]C[6a]C[5])(H)	C[5,6a](N[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]H){1|C<4>,1|H<1>,3|C<3>}	N[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]C){2|H<1>,3|C<3>}	N[5](C[5,6a]N[5,6a]N[6a])(C[5]C[6a]C[5])(H){5|C<3>}	128.0800	0.000	1	128.0800	0.000	1	128.9994	0.331	8	127.0599	2.584	43	125.7753	3.922	176	125.8013	3.941	178
727	371	542	0:SP2_SP2_SP2	C[5,6a]	N[6a]	N[5]	3:2:3:	3:3:	3:3:1:	N[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a](N[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H)	N[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]C)	N[5](C[5,6a]N[5,6a]N[6a])(C[5]N[5]H)(H)	C[5,6a](N[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H){1|C<3>,1|H<1>,2|C<4>}	N[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]C){1|N<2>,2|C<3>,2|H<1>}	N[5](C[5,6a]N[5,6a]N[6a])(C[5]N[5]H)(H){2|C<3>}	128.8958	0.098	5	128.8958	0.010	5	128.9994	0.331	8	127.0599	2.584	43	125.7753	3.922	176	125.8013	3.941	178
727	371	542	0:SP2_SP2_SP2	C[5,6a]	N[6a]	N[5]	3:2:3:	3:3:	3:3:1:	N[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a](N[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H)	N[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]H)	N[5](C[5,6a]N[5,6a]N[6a])(C[5]N[5]H)(H)	C[5,6a](N[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H){1|C<3>,3|H<1>}	N[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	N[5](C[5,6a]N[5,6a]N[6a])(C[5]N[5]H)(H){2|C<3>}	129.7180	0.591	2	129.7180	0.349	2	128.9994	0.331	8	127.0599	2.584	43	125.7753	3.922	176	125.8013	3.941	178
727	371	542	0:SP2_SP2_SP2	C[5,6a]	N[6a]	N[5]	3:2:3:	3:3:	3:3:4:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a](C[5,6a]C[5,6]C[6a])(N[6a]C[6a])(N[5]C[5]C)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6]O)(CH3)	C[5,6a](C[5,6a]C[5,6]C[6a])(N[6a]C[6a])(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6]O)(CH3){2|C<3>,2|C<4>}	123.4180	0.000	1	123.4180	0.000	1	125.6767	2.448	58	125.6201	2.460	60	125.7753	3.922	176	125.8013	3.941	178
727	371	542	0:SP2_SP2_SP2	C[5,6a]	N[6a]	N[5]	3:2:3:	3:3:	3:3:4:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]C)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]O)(CCHH)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]C){1|Br<1>,1|H<1>,1|O<1>,2|C<3>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br){1|C<4>,1|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]O)(CCHH){3|C<3>}	121.2945	0.400	2	121.2945	0.160	2	125.6767	2.448	58	125.6201	2.460	60	125.7753	3.922	176	125.8013	3.941	178
727	371	542	0:SP2_SP2_SP2	C[5,6a]	N[6a]	N[5]	3:2:3:	3:3:	3:3:4:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]C)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]2)(CCHH)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]2)(CCHH){1|N<3>,1|O<1>,3|C<3>}	122.6700	0.000	1	122.6700	0.000	1	125.6767	2.448	58	125.6201	2.460	60	125.7753	3.922	176	125.8013	3.941	178
727	371	542	0:SP2_SP2_SP2	C[5,6a]	N[6a]	N[5]	3:2:3:	3:3:	3:3:4:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C){1|C<3>,1|C<4>,3|H<1>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCHH){1|C<4>,2|C<3>}	125.8470	0.000	1	125.8470	0.000	1	125.6767	2.448	58	125.6201	2.460	60	125.7753	3.922	176	125.8013	3.941	178
727	371	542	0:SP2_SP2_SP2	C[5,6a]	N[6a]	N[5]	3:2:3:	3:3:	3:3:4:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]Cl)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCCH)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C){1|Cl<1>,1|Pt<4>,1|H<1>,1|N<2>,1|N<3>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]Cl){1|C<4>,1|N<3>,2|C<3>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCCH){1|Pt<4>,2|C<3>}	126.3775	0.094	2	126.3775	0.009	2	125.6767	2.448	58	125.6201	2.460	60	125.7753	3.922	176	125.8013	3.941	178
727	371	542	0:SP2_SP2_SP2	C[5,6a]	N[6a]	N[5]	3:2:3:	3:3:	3:3:4:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]Cl)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C){1|Cl<1>,1|Ir<6>,1|C<3>,1|H<1>,1|N<2>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]Cl){1|C<4>,1|N<3>,2|C<3>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CH3){1|Ir<6>,2|C<3>}	127.9215	0.684	2	127.9215	0.468	2	125.6767	2.448	58	125.6201	2.460	60	125.7753	3.922	176	125.8013	3.941	178
727	371	542	0:SP2_SP2_SP2	C[5,6a]	N[6a]	N[5]	3:2:3:	3:3:	3:3:4:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C){1|N<3>,1|O<1>,3|H<1>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCHH){1|H<1>,2|C<3>}	125.6455	0.733	4	125.6455	0.538	4	125.6767	2.448	58	125.6201	2.460	60	125.7753	3.922	176	125.8013	3.941	178
727	371	542	0:SP2_SP2_SP2	C[5,6a]	N[6a]	N[5]	3:2:3:	3:3:	3:3:4:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C){1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CH3){1|C<4>,2|C<3>}	126.2990	0.000	1	126.2892	1.138	12	125.6767	2.448	58	125.6201	2.460	60	125.7753	3.922	176	125.8013	3.941	178
727	371	542	0:SP2_SP2_SP2	C[5,6a]	N[6a]	N[5]	3:2:3:	3:3:	3:3:4:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C){1|Ir<8>,1|N<2>,1|N<3>,2|H<1>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]H){1|C<4>,1|N<3>,2|C<3>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CH3){1|Ir<8>,2|C<3>}	127.0120	0.000	1	126.2892	1.138	12	125.6767	2.448	58	125.6201	2.460	60	125.7753	3.922	176	125.8013	3.941	178
727	371	542	0:SP2_SP2_SP2	C[5,6a]	N[6a]	N[5]	3:2:3:	3:3:	3:3:4:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C){1|N<3>,1|O<1>,3|H<1>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CH3){1|H<1>,2|C<3>}	125.6140	0.000	1	126.2892	1.138	12	125.6767	2.448	58	125.6201	2.460	60	125.7753	3.922	176	125.8013	3.941	178
727	371	542	0:SP2_SP2_SP2	C[5,6a]	N[6a]	N[5]	3:2:3:	3:3:	3:3:4:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C){1|Os<9>,1|N<2>,1|N<3>,2|H<1>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]H){1|C<4>,1|N<3>,2|C<3>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CH3){1|Os<9>,2|C<3>}	125.2510	0.000	1	126.2892	1.138	12	125.6767	2.448	58	125.6201	2.460	60	125.7753	3.922	176	125.8013	3.941	178
727	371	542	0:SP2_SP2_SP2	C[5,6a]	N[6a]	N[5]	3:2:3:	3:3:	3:3:4:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C){1|Pt<4>,1|N<2>,1|N<3>,2|H<1>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]H){1|C<4>,1|N<3>,2|C<3>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CH3){1|Pt<4>,2|C<3>}	128.1160	0.000	1	126.2892	1.138	12	125.6767	2.448	58	125.6201	2.460	60	125.7753	3.922	176	125.8013	3.941	178
727	371	542	0:SP2_SP2_SP2	C[5,6a]	N[6a]	N[5]	3:2:3:	3:3:	3:3:4:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C){1|Pt<4>,1|N<3>,1|O<1>,2|H<1>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CH3){1|Pt<4>,2|C<3>}	125.8574	0.548	5	126.2892	1.138	12	125.6767	2.448	58	125.6201	2.460	60	125.7753	3.922	176	125.8013	3.941	178
727	371	542	0:SP2_SP2_SP2	C[5,6a]	N[6a]	N[5]	3:2:3:	3:3:	3:3:4:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C){1|Pt<6>,1|C<3>,1|N<2>,2|H<1>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]H){1|C<4>,1|N<3>,2|C<3>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CH3){1|Pt<6>,2|C<3>}	128.3830	0.000	1	126.2892	1.138	12	125.6767	2.448	58	125.6201	2.460	60	125.7753	3.922	176	125.8013	3.941	178
727	371	542	0:SP2_SP2_SP2	C[5,6a]	N[6a]	N[5]	3:2:3:	3:3:	3:3:4:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C){1|Ru<6>,1|N<2>,1|N<3>,2|H<1>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]H){1|C<4>,1|N<3>,2|C<3>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CH3){1|Ru<6>,2|C<3>}	125.5080	0.000	1	126.2892	1.138	12	125.6767	2.448	58	125.6201	2.460	60	125.7753	3.922	176	125.8013	3.941	178
727	371	542	0:SP2_SP2_SP2	C[5,6a]	N[6a]	N[5]	3:2:3:	3:3:	3:3:4:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]Ir)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C){1|Ir<8>,1|N<2>,1|N<3>,2|H<1>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]H){1|C<4>,1|N<3>,2|C<3>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]Ir)(CCHH){1|H<1>,2|C<3>}	125.9590	0.000	1	125.9590	0.000	1	125.6767	2.448	58	125.6201	2.460	60	125.7753	3.922	176	125.8013	3.941	178
727	371	542	0:SP2_SP2_SP2	C[5,6a]	N[6a]	N[5]	3:2:3:	3:3:	3:3:4:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C){1|Co<6>,1|N<2>,1|N<3>,2|H<1>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N){1|C<4>,1|N<3>,2|C<3>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCHH){1|Co<6>,2|C<3>}	127.2320	0.000	1	125.6111	1.584	19	125.6767	2.448	58	125.6201	2.460	60	125.7753	3.922	176	125.8013	3.941	178
727	371	542	0:SP2_SP2_SP2	C[5,6a]	N[6a]	N[5]	3:2:3:	3:3:	3:3:4:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C){1|Cu<5>,1|N<2>,1|N<3>,2|H<1>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N){1|C<4>,1|N<3>,2|C<3>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCHH){1|Cu<5>,2|C<3>}	127.4945	0.493	2	125.6111	1.584	19	125.6767	2.448	58	125.6201	2.460	60	125.7753	3.922	176	125.8013	3.941	178
727	371	542	0:SP2_SP2_SP2	C[5,6a]	N[6a]	N[5]	3:2:3:	3:3:	3:3:4:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C){1|O<1>,2|H<1>,2|N<3>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCHH){1|H<1>,2|C<3>}	125.6093	0.654	4	125.6111	1.584	19	125.6767	2.448	58	125.6201	2.460	60	125.7753	3.922	176	125.8013	3.941	178
727	371	542	0:SP2_SP2_SP2	C[5,6a]	N[6a]	N[5]	3:2:3:	3:3:	3:3:4:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C){1|Os<9>,1|H<1>,1|O<1>,2|N<3>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCHH){1|Os<9>,2|C<3>}	124.5510	0.000	1	125.6111	1.584	19	125.6767	2.448	58	125.6201	2.460	60	125.7753	3.922	176	125.8013	3.941	178
727	371	542	0:SP2_SP2_SP2	C[5,6a]	N[6a]	N[5]	3:2:3:	3:3:	3:3:4:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C){1|Pt<4>,1|H<1>,1|O<1>,2|N<3>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCHH){1|Pt<4>,2|C<3>}	125.7175	1.736	4	125.6111	1.584	19	125.6767	2.448	58	125.6201	2.460	60	125.7753	3.922	176	125.8013	3.941	178
727	371	542	0:SP2_SP2_SP2	C[5,6a]	N[6a]	N[5]	3:2:3:	3:3:	3:3:4:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C){1|Re<6>,1|H<1>,1|O<1>,2|N<3>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCHH){1|Re<6>,2|C<3>}	124.5195	0.302	2	125.6111	1.584	19	125.6767	2.448	58	125.6201	2.460	60	125.7753	3.922	176	125.8013	3.941	178
727	371	542	0:SP2_SP2_SP2	C[5,6a]	N[6a]	N[5]	3:2:3:	3:3:	3:3:4:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C){1|Rh<5>,1|H<1>,1|O<1>,2|N<3>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCHH){1|Rh<5>,2|C<3>}	124.6530	0.000	1	125.6111	1.584	19	125.6767	2.448	58	125.6201	2.460	60	125.7753	3.922	176	125.8013	3.941	178
727	371	542	0:SP2_SP2_SP2	C[5,6a]	N[6a]	N[5]	3:2:3:	3:3:	3:3:4:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C){1|Ru<6>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCHH){1|Ru<6>,2|C<3>}	124.5690	0.000	1	125.6111	1.584	19	125.6767	2.448	58	125.6201	2.460	60	125.7753	3.922	176	125.8013	3.941	178
727	371	542	0:SP2_SP2_SP2	C[5,6a]	N[6a]	N[5]	3:2:3:	3:3:	3:3:4:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C){1|Ru<9>,1|H<1>,1|O<1>,2|N<3>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCHH){1|Ru<9>,2|C<3>}	124.4270	0.000	1	125.6111	1.584	19	125.6767	2.448	58	125.6201	2.460	60	125.7753	3.922	176	125.8013	3.941	178
727	371	542	0:SP2_SP2_SP2	C[5,6a]	N[6a]	N[5]	3:2:3:	3:3:	3:3:4:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C){1|Zn<4>,1|H<1>,1|O<1>,2|N<3>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCHH){1|Zn<4>,2|C<3>}	125.2180	0.000	1	125.6111	1.584	19	125.6767	2.448	58	125.6201	2.460	60	125.7753	3.922	176	125.8013	3.941	178
727	371	542	0:SP2_SP2_SP2	C[5,6a]	N[6a]	N[5]	3:2:3:	3:3:	3:3:4:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C){1|Zn<4>,1|H<1>,1|O<2>,2|N<2>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N){1|C<4>,1|N<3>,2|C<3>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCHH){1|Zn<4>,2|C<3>}	126.6250	0.000	1	125.6111	1.584	19	125.6767	2.448	58	125.6201	2.460	60	125.7753	3.922	176	125.8013	3.941	178
727	371	542	0:SP2_SP2_SP2	C[5,6a]	N[6a]	N[5]	3:2:3:	3:3:	3:3:4:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C){1|C<4>,1|H<1>,1|O<1>,2|N<3>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N){1|Pt<4>,1|C<4>,1|N<3>,2|C<3>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CH3){1|C<4>,2|C<3>}	127.5400	1.133	2	125.3905	2.126	8	125.6767	2.448	58	125.6201	2.460	60	125.7753	3.922	176	125.8013	3.941	178
727	371	542	0:SP2_SP2_SP2	C[5,6a]	N[6a]	N[5]	3:2:3:	3:3:	3:3:4:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C){1|Pt<4>,1|H<1>,1|O<1>,2|N<3>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CH3){1|Pt<4>,2|C<3>}	124.6408	0.557	5	125.3905	2.126	8	125.6767	2.448	58	125.6201	2.460	60	125.7753	3.922	176	125.8013	3.941	178
727	371	542	0:SP2_SP2_SP2	C[5,6a]	N[6a]	N[5]	3:2:3:	3:3:	3:3:4:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C){1|Ru<6>,1|H<1>,1|O<1>,2|N<3>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CH3){1|Ru<6>,2|C<3>}	124.8400	0.000	1	125.3905	2.126	8	125.6767	2.448	58	125.6201	2.460	60	125.7753	3.922	176	125.8013	3.941	178
727	371	542	0:SP2_SP2_SP2	C[5,6a]	N[6a]	N[5]	3:2:3:	3:3:	3:3:4:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CHHO)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C){1|O<1>,2|H<1>,2|N<3>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CHHO){1|H<1>,2|C<3>}	125.7810	1.105	2	126.7620	2.534	4	125.6767	2.448	58	125.6201	2.460	60	125.7753	3.922	176	125.8013	3.941	178
727	371	542	0:SP2_SP2_SP2	C[5,6a]	N[6a]	N[5]	3:2:3:	3:3:	3:3:4:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CHHO)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C){1|Pt<4>,1|H<1>,1|O<1>,2|N<3>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CHHO){1|Pt<4>,2|C<3>}	127.7430	1.591	2	126.7620	2.534	4	125.6767	2.448	58	125.6201	2.460	60	125.7753	3.922	176	125.8013	3.941	178
727	371	542	0:SP2_SP2_SP2	C[5,6a]	N[6a]	N[5]	3:2:3:	3:3:	3:3:4:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]Ru)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C){1|Ru<6>,1|H<1>,1|O<1>,2|N<3>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]Ru)(CCHH){1|H<1>,2|C<3>}	125.3350	0.000	1	125.3350	0.000	1	125.6767	2.448	58	125.6201	2.460	60	125.7753	3.922	176	125.8013	3.941	178
727	371	542	0:SP2_SP2_SP2	C[5,6a]	N[6a]	N[5]	3:2:3:	3:3:	3:3:4:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a](C[5,6a]C[4,5]C[6a])(N[6a]C[6a,6a])(N[5]C[5]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[5])	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[4,5]O)(CC3)	C[5,6a](C[5,6a]C[4,5]C[6a])(N[6a]C[6a,6a])(N[5]C[5]C){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[5]){1|H<1>,2|C<4>,4|C<3>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[4,5]O)(CC3){1|C<4>,1|N<3>,2|C<3>}	123.9280	0.000	1	123.9280	0.000	1	123.9280	0.000	1	125.6201	2.460	60	125.7753	3.922	176	125.8013	3.941	178
727	371	542	0:SP2_SP2_SP2	C[5,6a]	N[6a]	N[5]	3:2:3:	3:3:	3:3:4:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5]-3:C[6]-4:	C[5,6a](C[5,6a]C[5,5]C[6a])(N[6a]C[6a,6a])(N[5]C[5]C[6])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[5])	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5,5]O)(C[6]C[6]2H)	C[5,6a](C[5,6a]C[5,5]C[6a])(N[6a]C[6a,6a])(N[5]C[5]C[6]){1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[5]){1|H<1>,2|C<4>,4|C<3>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5,5]O)(C[6]C[6]2H){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	124.0280	0.000	1	124.0280	0.000	1	124.0280	0.000	1	125.6201	2.460	60	125.7753	3.922	176	125.8013	3.941	178
727	371	542	0:SP2_SP2_SP2	C[5,6a]	N[6a]	N[5]	3:2:3:	3:3:	3:4:1:	N[5,6a]-3:N[6a]-2:N[5]-3:	C[5a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5]-4:H-1:	C[5,6a](N[5,6a]C[6a]C[5])(N[6a]C[5a,6a])(N[5]C[5]H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]N[5,6a]N[5])	N[5](C[5,6a]N[5,6a]N[6a])(C[5]C[5]HO)(H)	C[5,6a](N[5,6a]C[6a]C[5])(N[6a]C[5a,6a])(N[5]C[5]H){1|C<3>,1|N<3>,1|O<1>,2|H<1>,2|O<2>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]N[5,6a]N[5]){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6a]N[5,6a]N[6a])(C[5]C[5]HO)(H){1|H<1>,1|O<2>,2|C<3>}	125.3880	0.000	1	125.3880	0.000	1	125.3880	0.000	1	125.3880	0.000	1	125.7753	3.922	176	125.8013	3.941	178
727	371	542	0:SP2_SP2_SP2	C[5,6a]	N[6a]	N[5]	3:2:3:	3:3:	3:4:3:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]C)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(CCO)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]C){1|C<3>,6|H<1>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(CCO){2|C<3>,2|H<1>}	124.1363	0.615	25	124.1363	0.378	25	124.1309	0.321	30	125.2511	4.729	47	125.7753	3.922	176	125.8013	3.941	178
727	371	542	0:SP2_SP2_SP2	C[5,6a]	N[6a]	N[5]	3:2:3:	3:3:	3:4:3:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]C)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(CC[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]C){1|C<3>,6|H<1>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(CC[5]O){2|C<3>,2|H<1>}	124.0500	0.000	1	124.0500	0.000	1	124.1309	0.321	30	125.2511	4.729	47	125.7753	3.922	176	125.8013	3.941	178
727	371	542	0:SP2_SP2_SP2	C[5,6a]	N[6a]	N[5]	3:2:3:	3:3:	3:4:3:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]C)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(CC[6]O)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]C){1|C<3>,6|H<1>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(CC[6]O){2|C<3>,2|H<1>}	124.0770	0.000	1	124.0770	0.000	1	124.1309	0.321	30	125.2511	4.729	47	125.7753	3.922	176	125.8013	3.941	178
727	371	542	0:SP2_SP2_SP2	C[5,6a]	N[6a]	N[5]	3:2:3:	3:3:	3:4:3:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]C)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(CCO)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]C){1|C<3>,1|O<2>,5|H<1>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O){1|H<1>,2|C<3>,2|C<4>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(CCO){2|C<3>,2|H<1>}	124.1313	0.330	3	124.1313	0.109	3	124.1309	0.321	30	125.2511	4.729	47	125.7753	3.922	176	125.8013	3.941	178
727	371	542	0:SP2_SP2_SP2	C[5,6a]	N[6a]	N[5]	3:2:3:	3:3:	3:4:3:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]2)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(C[5]C[5]2)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]2){1|C<4>,2|C<3>,6|H<1>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(C[5]C[5]2){2|C<4>,3|C<3>,4|H<1>}	123.3990	0.000	1	123.9053	0.291	3	127.2278	6.510	17	125.2511	4.729	47	125.7753	3.922	176	125.8013	3.941	178
727	371	542	0:SP2_SP2_SP2	C[5,6a]	N[6a]	N[5]	3:2:3:	3:3:	3:4:3:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]2)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(C[5]C[5]2)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]2){1|C<4>,2|C<3>,6|H<1>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(C[5]C[5]2){4|C<3>,5|H<1>}	123.8440	0.000	1	123.9053	0.291	3	127.2278	6.510	17	125.2511	4.729	47	125.7753	3.922	176	125.8013	3.941	178
727	371	542	0:SP2_SP2_SP2	C[5,6a]	N[6a]	N[5]	3:2:3:	3:3:	3:4:3:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]2)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(C[5]C[5]2)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]2){1|C<4>,2|C<3>,6|H<1>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(C[5]C[5]2){4|H<1>,5|C<3>}	124.4730	0.000	1	123.9053	0.291	3	127.2278	6.510	17	125.2511	4.729	47	125.7753	3.922	176	125.8013	3.941	178
727	371	542	0:SP2_SP2_SP2	C[5,6a]	N[6a]	N[5]	3:2:3:	3:3:	3:4:3:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]2)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]O[5]H)(C[5]N[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]2){1|Pd<4>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]O[5]H)(C[5]N[5]H){1|Pd<4>,1|H<1>,1|O<2>,2|C<3>,2|C<4>}	125.6920	0.287	2	126.9336	2.114	5	127.2278	6.510	17	125.2511	4.729	47	125.7753	3.922	176	125.8013	3.941	178
727	371	542	0:SP2_SP2_SP2	C[5,6a]	N[6a]	N[5]	3:2:3:	3:3:	3:4:3:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]2)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]O[5]H)(C[5]N[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]2){1|Pt<4>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]H){1|C<4>,1|N<3>,2|C<3>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]O[5]H)(C[5]N[5]H){1|Pt<4>,1|H<1>,1|O<1>,2|C<3>,2|C<4>}	126.8000	0.000	1	126.9336	2.114	5	127.2278	6.510	17	125.2511	4.729	47	125.7753	3.922	176	125.8013	3.941	178
727	371	542	0:SP2_SP2_SP2	C[5,6a]	N[6a]	N[5]	3:2:3:	3:3:	3:4:3:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]2)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]O[5]H)(C[5]N[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]2){1|Rh<8>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]H){1|C<4>,1|N<3>,2|C<3>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]O[5]H)(C[5]N[5]H){1|Rh<8>,1|H<1>,1|O<2>,2|C<3>,2|C<4>}	128.2420	1.359	2	126.9336	2.114	5	127.2278	6.510	17	125.2511	4.729	47	125.7753	3.922	176	125.8013	3.941	178
727	371	542	0:SP2_SP2_SP2	C[5,6a]	N[6a]	N[5]	3:2:3:	3:3:	3:4:3:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]2)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]O[5]H)(C[5]N[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]2){1|Co<6>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,1|S<2>,2|H<1>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N){1|C<4>,1|N<3>,2|C<3>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]O[5]H)(C[5]N[5]H){1|Co<6>,1|H<1>,1|O<2>,2|C<3>,2|C<4>}	131.0250	0.513	4	129.1537	5.587	7	127.2278	6.510	17	125.2511	4.729	47	125.7753	3.922	176	125.8013	3.941	178
727	371	542	0:SP2_SP2_SP2	C[5,6a]	N[6a]	N[5]	3:2:3:	3:3:	3:4:3:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]2)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]O[5]H)(C[5]N[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]2){1|Pt<4>,1|C<4>,1|O<1>,1|O<2>,2|H<1>,2|N<3>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]O[5]H)(C[5]N[5]H){1|Pt<4>,1|H<1>,1|O<2>,2|C<3>,2|C<4>}	126.8440	0.000	1	129.1537	5.587	7	127.2278	6.510	17	125.2511	4.729	47	125.7753	3.922	176	125.8013	3.941	178
727	371	542	0:SP2_SP2_SP2	C[5,6a]	N[6a]	N[5]	3:2:3:	3:3:	3:4:3:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]2)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]O[5]H)(C[5]N[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]2){1|Pt<4>,1|C<4>,1|O<1>,1|O<2>,2|H<1>,2|N<3>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]O[5]H)(C[5]N[5]H){1|Pt<4>,2|C<3>,2|C<4>,2|H<1>}	126.5660	0.000	2	129.1537	5.587	7	127.2278	6.510	17	125.2511	4.729	47	125.7753	3.922	176	125.8013	3.941	178
727	371	542	0:SP2_SP2_SP2	C[5,6a]	N[6a]	N[5]	3:2:3:	3:3:	3:4:3:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]2)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]O[5]H)(C[5]N[5]Pt)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]2){1|Pt<4>,1|H<1>,1|O<1>,1|O<2>,2|C<4>,2|N<3>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]O[5]H)(C[5]N[5]Pt){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	126.1550	0.000	1	126.1550	0.000	1	127.2278	6.510	17	125.2511	4.729	47	125.7753	3.922	176	125.8013	3.941	178
727	371	542	0:SP2_SP2_SP2	C[5,6a]	N[6a]	N[5]	3:2:3:	3:3:	3:4:3:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]2)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]O[5]H)(C[5]N[5]S)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]2){1|C<4>,1|O<1>,1|O<2>,1|S<1>,2|H<1>,2|N<3>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]O[5]H)(C[5]N[5]S){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	126.2570	0.000	1	126.2570	0.000	1	127.2278	6.510	17	125.2511	4.729	47	125.7753	3.922	176	125.8013	3.941	178
727	371	542	0:SP2_SP2_SP2	C[5,6a]	N[6a]	N[5]	3:2:3:	3:3:	3:4:4:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C-4:	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]C)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]C){3|C<3>,4|H<1>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]2){1|H<1>,3|C<3>,3|C<4>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(CH3){2|C<3>,2|H<1>}	122.9220	0.000	1	122.9220	0.000	1	122.9220	0.000	1	124.3287	1.491	3	125.7753	3.922	176	125.8013	3.941	178
727	371	542	0:SP2_SP2_SP2	C[5,6a]	N[6a]	N[5]	3:2:3:	3:3:	3:4:4:	N[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:S-4:	C[5,6a](N[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]S)	N[6a](C[5,6a]N[5,6a]N[5])(C[6a]N[6a]N)	N[5](C[5,6a]N[5,6a]N[6a])(C[5]C[5]HH)(SCOO)	C[5,6a](N[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]S){1|C<3>,1|N<2>,1|N<3>,1|O<1>,2|H<1>}	N[6a](C[5,6a]N[5,6a]N[5])(C[6a]N[6a]N){1|C<4>,1|S<4>,2|C<3>}	N[5](C[5,6a]N[5,6a]N[6a])(C[5]C[5]HH)(SCOO){3|C<3>}	125.1140	0.000	1	125.1140	0.000	1	125.0320	0.013	2	124.3287	1.491	3	125.7753	3.922	176	125.8013	3.941	178
727	371	542	0:SP2_SP2_SP2	C[5,6a]	N[6a]	N[5]	3:2:3:	3:3:	3:4:4:	N[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:S-4:	C[5,6a](N[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]S)	N[6a](C[5,6a]N[5,6a]N[5])(C[6a]N[6a]N[6])	N[5](C[5,6a]N[5,6a]N[6a])(C[5]C[5]HH)(SCOO)	C[5,6a](N[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]S){1|C<3>,1|N<2>,1|N<3>,1|O<1>,2|H<1>}	N[6a](C[5,6a]N[5,6a]N[5])(C[6a]N[6a]N[6]){1|S<4>,2|C<3>,3|C<4>}	N[5](C[5,6a]N[5,6a]N[6a])(C[5]C[5]HH)(SCOO){3|C<3>}	124.9500	0.000	1	124.9500	0.000	1	125.0320	0.013	2	124.3287	1.491	3	125.7753	3.922	176	125.8013	3.941	178
727	371	542	0:SP2_SP2_SP2	C[5,6a]	N[6a]	N[5]	3:3:2:	3:3:	3:3:3:	C[5,6a]-3:N[5]-3:N[6a]-2:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]S[5])(N[5]C[6a]C[5])(N[6a]C[6a])	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]H)	N[5](C[5,6a]C[5,6a]N[6a])(C[6a]C[6a]2)(C[5]S[5]S)	C[5,6a](C[5,6a]C[6a]S[5])(N[5]C[6a]C[5])(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,1|S<1>,2|C<3>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]H){1|C<4>,1|S<2>,3|C<3>}	N[5](C[5,6a]C[5,6a]N[6a])(C[6a]C[6a]2)(C[5]S[5]S){2|H<1>,4|C<3>}	120.7170	0.000	1	120.7170	0.000	1	120.6988	0.014	4	124.1708	8.564	11	125.7753	3.922	176	125.8013	3.941	178
727	371	542	0:SP2_SP2_SP2	C[5,6a]	N[6a]	N[5]	3:3:2:	3:3:	3:3:3:	C[5,6a]-3:N[5]-3:N[6a]-2:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]S[5])(N[5]C[6a]C[5])(N[6a]C[6a])	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N)	N[5](C[5,6a]C[5,6a]N[6a])(C[6a]C[6a]2)(C[5]S[5]S)	C[5,6a](C[5,6a]C[6a]S[5])(N[5]C[6a]C[5])(N[6a]C[6a]){1|O<1>,1|S<1>,2|C<3>,2|N<3>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N){1|S<2>,4|C<3>}	N[5](C[5,6a]C[5,6a]N[6a])(C[6a]C[6a]2)(C[5]S[5]S){2|H<1>,4|C<3>}	120.6280	0.000	1	120.6280	0.000	1	120.6988	0.014	4	124.1708	8.564	11	125.7753	3.922	176	125.8013	3.941	178
727	371	542	0:SP2_SP2_SP2	C[5,6a]	N[6a]	N[5]	3:3:2:	3:3:	3:3:3:	C[5,6a]-3:N[5]-3:N[6a]-2:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]S[5])(N[5]C[6a]C[5])(N[6a]C[6a])	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N[6])	N[5](C[5,6a]C[5,6a]N[6a])(C[6a]C[6a]2)(C[5]S[5]S)	C[5,6a](C[5,6a]C[6a]S[5])(N[5]C[6a]C[5])(N[6a]C[6a]){1|O<1>,1|S<1>,2|C<3>,2|N<3>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N[6]){1|S<2>,2|C<4>,4|C<3>}	N[5](C[5,6a]C[5,6a]N[6a])(C[6a]C[6a]2)(C[5]S[5]S){2|H<1>,4|C<3>}	120.5930	0.000	1	120.5930	0.000	1	120.6988	0.014	4	124.1708	8.564	11	125.7753	3.922	176	125.8013	3.941	178
727	371	542	0:SP2_SP2_SP2	C[5,6a]	N[6a]	N[5]	3:3:2:	3:3:	3:3:3:	C[5,6a]-3:N[5]-3:N[6a]-2:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]S[5])(N[5]C[6a]C[5])(N[6a]C[6a])	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)	N[5](C[5,6a]C[5,6a]N[6a])(C[6a]C[6a]2)(C[5]S[5]S)	C[5,6a](C[5,6a]C[6a]S[5])(N[5]C[6a]C[5])(N[6a]C[6a]){1|N<3>,1|O<1>,1|O<2>,1|S<1>,2|C<3>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O){1|S<2>,4|C<3>}	N[5](C[5,6a]C[5,6a]N[6a])(C[6a]C[6a]2)(C[5]S[5]S){2|H<1>,4|C<3>}	120.8570	0.000	1	120.8570	0.000	1	120.6988	0.014	4	124.1708	8.564	11	125.7753	3.922	176	125.8013	3.941	178
727	371	542	0:SP2_SP2_SP2	C[5,6a]	N[6a]	N[5]	3:3:2:	3:3:	3:3:3:	C[5,6a]-3:N[5]-3:N[6a]-2:	C[6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]N[6a]C[5])(N[5]C[6a]C[5])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[5])	N[5](C[5,6a]C[5,6a]N[6a])(C[6a]C[6a]2)(C[5]C[5]O)	C[5,6a](C[5,6a]N[6a]C[5])(N[5]C[6a]C[5])(N[6a]C[6a,6a]){1|O<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[5]){1|H<1>,1|N<2>,5|C<3>}	N[5](C[5,6a]C[5,6a]N[6a])(C[6a]C[6a]2)(C[5]C[5]O){1|N<2>,2|H<1>,4|C<3>}	126.6420	0.938	4	126.7702	0.742	5	126.7702	0.742	5	124.1708	8.564	11	125.7753	3.922	176	125.8013	3.941	178
727	371	542	0:SP2_SP2_SP2	C[5,6a]	N[6a]	N[5]	3:3:2:	3:3:	3:3:3:	C[5,6a]-3:N[5]-3:N[6a]-2:	C[6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]N[6a]C[5])(N[5]C[6a]C[5])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[5])	N[5](C[5,6a]C[5,6a]N[6a])(C[6a]C[6a]2)(C[5]C[5]O)	C[5,6a](C[5,6a]N[6a]C[5])(N[5]C[6a]C[5])(N[6a]C[6a,6a]){1|O<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[5]){1|H<1>,2|N<2>,4|C<3>}	N[5](C[5,6a]C[5,6a]N[6a])(C[6a]C[6a]2)(C[5]C[5]O){1|N<2>,2|H<1>,4|C<3>}	127.2830	0.000	1	126.7702	0.742	5	126.7702	0.742	5	124.1708	8.564	11	125.7753	3.922	176	125.8013	3.941	178
727	371	542	0:SP2_SP2_SP2	C[5,6a]	N[6a]	N[5]	3:3:2:	3:3:	3:3:3:	N[5,6a]-3:N[5]-3:N[6a]-2:	C[5,6a]-3:C[5a,6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](N[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(N[6a]C[5a,6a])	N[6a](C[5,6a]N[5,6a]N[5])(C[5a,6a]C[5a,6a]2)	N[5](C[5,6a]N[5,6a]N[6a])(C[6a]C[6a]2)(C[5]C[5]O)	C[5,6a](N[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(N[6a]C[5a,6a]){1|C<4>,1|H<1>,2|O<1>,4|C<3>}	N[6a](C[5,6a]N[5,6a]N[5])(C[5a,6a]C[5a,6a]2){1|C<4>,1|O<2>,5|C<3>}	N[5](C[5,6a]N[5,6a]N[6a])(C[6a]C[6a]2)(C[5]C[5]O){1|C<4>,3|H<1>,4|C<3>}	124.2800	0.000	1	124.6165	0.226	2	124.6165	0.226	2	124.1708	8.564	11	125.7753	3.922	176	125.8013	3.941	178
727	371	542	0:SP2_SP2_SP2	C[5,6a]	N[6a]	N[5]	3:3:2:	3:3:	3:3:3:	N[5,6a]-3:N[5]-3:N[6a]-2:	C[5,6a]-3:C[5a,6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](N[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(N[6a]C[5a,6a])	N[6a](C[5,6a]N[5,6a]N[5])(C[5a,6a]C[5a,6a]2)	N[5](C[5,6a]N[5,6a]N[6a])(C[6a]C[6a]2)(C[5]C[5]O)	C[5,6a](N[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(N[6a]C[5a,6a]){1|C<4>,1|H<1>,2|O<1>,4|C<3>}	N[6a](C[5,6a]N[5,6a]N[5])(C[5a,6a]C[5a,6a]2){1|C<4>,1|S<2>,5|C<3>}	N[5](C[5,6a]N[5,6a]N[6a])(C[6a]C[6a]2)(C[5]C[5]O){1|C<4>,3|H<1>,4|C<3>}	124.9530	0.000	1	124.6165	0.226	2	124.6165	0.226	2	124.1708	8.564	11	125.7753	3.922	176	125.8013	3.941	178
727	371	542	0:SP2_SP2_SP2	C[5,6a]	N[6a]	N[5]	3:3:2:	3:3:	3:3:4:	C[5,6a]-3:N[5]-3:N[6a]-2:	C[6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[5])	N[5](C[5,6a]C[5,6a]N[6a])(C[6a]C[6a]2)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(N[6a]C[6a,6a]){4|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[5]){1|H<1>,2|C<4>,4|C<3>}	N[5](C[5,6a]C[5,6a]N[6a])(C[6a]C[6a]2)(C[5]C[5]HH){4|C<3>,4|H<1>}	124.8890	0.000	1	124.8890	0.000	1	124.8890	0.000	1	125.6998	0.867	5	125.7753	3.922	176	125.8013	3.941	178
727	371	542	0:SP2_SP2_SP2	C[5,6a]	N[6a]	N[5]	3:3:2:	3:3:	3:3:4:	N[5,6a]-3:N[5]-3:N[6a]-2:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C-4:	C[5,6a](N[5,6a]C[5,6a]C[6a])(N[5]C[5,6a]C)(N[6a]C[6a])	N[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[5,6a]N[6a])(CCHH)	C[5,6a](N[5,6a]C[5,6a]C[6a])(N[5]C[5,6a]C)(N[6a]C[6a]){1|N<2>,4|C<3>}	N[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]2){1|C<2>,1|C<4>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[5,6a]N[6a])(CCHH){1|H<1>,4|C<3>}	124.5470	0.000	1	124.5470	0.000	1	125.3240	1.207	2	125.6998	0.867	5	125.7753	3.922	176	125.8013	3.941	178
727	371	542	0:SP2_SP2_SP2	C[5,6a]	N[6a]	N[5]	3:3:2:	3:3:	3:3:4:	N[5,6a]-3:N[5]-3:N[6a]-2:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C-4:	C[5,6a](N[5,6a]C[5,6a]C[6a])(N[5]C[5,6a]C)(N[6a]C[6a])	N[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[5,6a]N[6a])(CC[6a]HH)	C[5,6a](N[5,6a]C[5,6a]C[6a])(N[5]C[5,6a]C)(N[6a]C[6a]){1|C<4>,1|O<1>,3|C<3>}	N[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[5,6a]N[6a])(CC[6a]HH){1|H<1>,4|C<3>}	126.1010	0.000	1	126.1010	0.000	1	125.3240	1.207	2	125.6998	0.867	5	125.7753	3.922	176	125.8013	3.941	178
727	371	542	0:SP2_SP2_SP2	C[5,6a]	N[6a]	N[5]	3:3:2:	3:3:	3:3:4:	N[5,6a]-3:N[5]-3:N[6a]-2:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](N[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(N[6a]C[6a])	N[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]O)	N[5](C[5,6a]N[5,6a]N[6a])(C[6a]C[6a]2)(C[5]C[5]HH)	C[5,6a](N[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(N[6a]C[6a]){1|O<1>,1|O<2>,3|C<3>,4|H<1>}	N[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]O){2|C<3>,3|C<4>}	N[5](C[5,6a]N[5,6a]N[6a])(C[6a]C[6a]2)(C[5]C[5]HH){1|O<2>,3|H<1>,4|C<3>}	126.7040	0.000	1	126.4810	0.099	2	126.4810	0.099	2	125.6998	0.867	5	125.7753	3.922	176	125.8013	3.941	178
727	371	542	0:SP2_SP2_SP2	C[5,6a]	N[6a]	N[5]	3:3:2:	3:3:	3:3:4:	N[5,6a]-3:N[5]-3:N[6a]-2:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](N[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(N[6a]C[6a])	N[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]O)	N[5](C[5,6a]N[5,6a]N[6a])(C[6a]C[6a]2)(C[5]C[5]HH)	C[5,6a](N[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(N[6a]C[6a]){1|O<1>,1|O<2>,3|C<3>,4|H<1>}	N[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]O){2|C<3>,3|C<4>}	N[5](C[5,6a]N[5,6a]N[6a])(C[6a]C[6a]2)(C[5]C[5]HH){4|C<3>,4|H<1>}	126.2580	0.000	1	126.4810	0.099	2	126.4810	0.099	2	125.6998	0.867	5	125.7753	3.922	176	125.8013	3.941	178
727	371	542	0:SP2_SP2_SP2	C[5,6a]	N[6a]	N[5]	3:3:2:	3:3:	3:4:3:	C[5,6a]-3:N[5]-3:N[6a]-2:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C-3:	C[5,6a](C[5,6a]N[5,5]C[6a])(N[5]C[5,5]C)(N[6a]C[6a])	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5,5]N[5,5]C[5]H)(CCH)	C[5,6a](C[5,6a]N[5,5]C[6a])(N[5]C[5,5]C)(N[6a]C[6a]){1|Cl<1>,1|N<2>,2|C<4>,2|H<1>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]H){1|C<4>,1|N<3>,2|C<3>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5,5]N[5,5]C[5]H)(CCH){2|C<4>,4|C<3>}	126.1012	0.913	4	126.1012	0.834	4	126.1012	0.834	4	126.0208	0.527	6	125.7753	3.922	176	125.8013	3.941	178
727	371	542	0:SP2_SP2_SP2	C[5,6a]	N[6a]	N[5]	3:3:2:	3:3:	3:4:3:	N[5,6a]-3:N[5]-3:N[6a]-2:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](N[5,6a]C[5,5]C[6a])(N[5]C[5,5]C[6a])(N[6a]C[6a])	N[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]S)	N[5](C[5,6a]N[5,6a]N[6a])(C[5,5]C[5,5]O[5]H)(C[6a]C[6a]2)	C[5,6a](N[5,6a]C[5,5]C[6a])(N[5]C[5,5]C[6a])(N[6a]C[6a]){1|C<4>,1|O<1>,1|O<2>,1|S<2>,2|H<1>,3|C<3>}	N[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]S){2|C<4>,3|C<3>}	N[5](C[5,6a]N[5,6a]N[6a])(C[5,5]C[5,5]O[5]H)(C[6a]C[6a]2){2|C<4>,3|H<1>,4|C<3>}	125.8600	0.236	2	125.8600	0.056	2	125.8600	0.056	2	126.0208	0.527	6	125.7753	3.922	176	125.8013	3.941	178
727	371	542	0:SP2_SP2_SP3	C[5,6a]	N[6a]	N[5]	3:2:3:	3:3:	3:4:3:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]2)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(C[5]C[5]2)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]2){1|C<4>,2|C<3>,6|H<1>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(C[5]C[5]2){2|C<4>,3|C<3>,4|H<1>}	123.3860	0.000	1	123.3860	0.000	1	123.3860	0.000	1	123.3860	0.000	1	123.3860	0.000	1	123.3860	0.000	1
727	371	727	0:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:2:	3:2:	3:3:3:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a]-3:N[6a]-2:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-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])	N[6a](C[5,6a]C[5,6a]2)(N[6a]C[6a])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]N[6a])(C[6a]C[6a]H)	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>}	N[6a](C[5,6a]C[5,6a]2)(N[6a]C[6a]){5|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]N[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,4|C<3>}	126.3230	0.000	1	126.3230	0.000	1	128.9853	3.263	4	127.8822	4.960	6	126.8151	1.886	195	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:2:	3:2:	3:3:3:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a]-3:N[6a]-2:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-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])	N[6a](C[5,6a]C[5,6a]2)(N[6a]C[6a])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]N[6a])(C[6a]C[6a]H)	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>}	N[6a](C[5,6a]C[5,6a]2)(N[6a]C[6a]){1|N<2>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]N[6a])(C[6a]C[6a]H){1|H<1>,2|N<2>,3|C<3>}	129.8727	0.412	3	129.8727	0.169	3	128.9853	3.263	4	127.8822	4.960	6	126.8151	1.886	195	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:2:	3:2:	3:3:3:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a]-3:N[6a]-2:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	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])	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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>}	N[6a](C[5,6a]C[5,6a]2)(N[6a]C[6a]){5|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	125.6760	0.641	2	125.6760	0.410	2	125.6760	0.410	2	127.8822	4.960	6	126.8151	1.886	195	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:2:	3:3:	3:3:2:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[3,5]C[6a])(N[6a]C[6a])	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[3,5]C[6a])(N[6a]C[6a])	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[3,5]C[6a])(N[6a]C[6a]){2|C<4>,2|H<1>,3|C<3>}	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[3,5]C[6a])(N[6a]C[6a]){2|C<4>,2|H<1>,3|C<3>}	126.9115	0.114	2	126.9115	0.013	2	126.3989	0.533	102	126.3989	0.533	102	126.8151	1.886	195	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:2:	3:3:	3:3:2:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[5,5]C[6a])(N[6a]C[6a])	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[5,5]C[6a])(N[6a]C[6a])	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[5,5]C[6a])(N[6a]C[6a]){2|H<1>,5|C<3>}	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[5,5]C[6a])(N[6a]C[6a]){2|H<1>,5|C<3>}	126.5517	0.412	4	126.5517	0.170	4	126.3989	0.533	102	126.3989	0.533	102	126.8151	1.886	195	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:2:	3:3:	3:3:2:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[5,6]C[6a])(N[6a]C[6a])	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[5,6]C[6a])(N[6a]C[6a])	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[5,6]C[6a])(N[6a]C[6a]){2|H<1>,5|C<3>}	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[5,6]C[6a])(N[6a]C[6a]){2|H<1>,5|C<3>}	126.0547	0.453	6	126.0547	0.205	6	126.3989	0.533	102	126.3989	0.533	102	126.8151	1.886	195	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:2:	3:3:	3:3:2:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a])	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a])	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	125.3948	0.708	4	125.9998	1.393	6	126.3989	0.533	102	126.3989	0.533	102	126.8151	1.886	195	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:2:	3:3:	3:3:2:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a])	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a])	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a]){2|H<1>,4|C<3>}	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2){1|H<1>,1|N<2>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	127.9410	0.000	1	125.9998	1.393	6	126.3989	0.533	102	126.3989	0.533	102	126.8151	1.886	195	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:2:	3:3:	3:3:2:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a])	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a])	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a]){3|H<1>,4|C<3>}	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a]){1|C<4>,3|C<3>,3|H<1>}	126.4790	0.000	1	125.9998	1.393	6	126.3989	0.533	102	126.3989	0.533	102	126.8151	1.886	195	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:2:	3:3:	3:3:2:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a])	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]C[6])	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a])	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]C[6]){1|Ru<11>,1|H<1>,1|N<2>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a]){2|H<1>,4|C<3>}	129.0530	0.000	1	127.8440	2.923	2	126.3989	0.533	102	126.3989	0.533	102	126.8151	1.886	195	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:2:	3:3:	3:3:2:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a])	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]C[6])	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a])	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a]){1|C<4>,3|C<3>,3|H<1>}	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]C[6]){1|Ru<11>,1|H<1>,1|N<2>,2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a]){3|H<1>,4|C<3>}	126.6350	0.000	1	127.8440	2.923	2	126.3989	0.533	102	126.3989	0.533	102	126.8151	1.886	195	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:2:	3:3:	3:3:2:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a])	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]Cl)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a])	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a]){1|Cl<1>,1|H<1>,1|O<1>,3|C<3>}	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]Cl){1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a]){1|Cl<1>,1|H<1>,1|O<1>,3|C<3>}	125.5490	0.421	2	125.5490	0.178	2	126.3989	0.533	102	126.3989	0.533	102	126.8151	1.886	195	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:2:	3:3:	3:3:2:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a])	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a])	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a]){1|C<4>,3|C<3>,3|H<1>}	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a]){1|C<4>,3|C<3>,3|H<1>}	126.7255	0.261	2	126.4193	0.434	80	126.3989	0.533	102	126.3989	0.533	102	126.8151	1.886	195	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:2:	3:3:	3:3:2:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a])	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a])	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a]){1|N<1>,2|H<1>,3|C<3>}	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a]){1|N<1>,2|H<1>,3|C<3>}	126.5245	1.133	2	126.4193	0.434	80	126.3989	0.533	102	126.3989	0.533	102	126.8151	1.886	195	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:2:	3:3:	3:3:2:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a])	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a])	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a]){1|N<2>,2|H<1>,3|C<3>}	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a]){1|N<2>,2|H<1>,3|C<3>}	126.2051	0.834	20	126.4193	0.434	80	126.3989	0.533	102	126.3989	0.533	102	126.8151	1.886	195	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:2:	3:3:	3:3:2:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a])	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a])	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	127.1440	1.432	4	126.4193	0.434	80	126.3989	0.533	102	126.3989	0.533	102	126.8151	1.886	195	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:2:	3:3:	3:3:2:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a])	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a])	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a]){1|O<1>,2|H<1>,3|C<3>}	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a]){1|O<1>,2|H<1>,3|C<3>}	126.6223	0.434	22	126.4193	0.434	80	126.3989	0.533	102	126.3989	0.533	102	126.8151	1.886	195	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:2:	3:3:	3:3:2:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a])	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a])	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a]){1|O<2>,2|H<1>,4|C<3>}	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a]){1|O<2>,2|H<1>,4|C<3>}	126.5752	0.537	6	126.4193	0.434	80	126.3989	0.533	102	126.3989	0.533	102	126.8151	1.886	195	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:2:	3:3:	3:3:2:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a])	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a])	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a]){2|C<4>,2|H<1>,3|C<3>}	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a]){2|C<4>,2|H<1>,3|C<3>}	126.6077	0.241	4	126.4193	0.434	80	126.3989	0.533	102	126.3989	0.533	102	126.8151	1.886	195	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:2:	3:3:	3:3:2:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a])	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a])	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a]){2|H<1>,4|C<3>}	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a]){2|H<1>,4|C<3>}	126.1396	0.324	20	126.4193	0.434	80	126.3989	0.533	102	126.3989	0.533	102	126.8151	1.886	195	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:2:	3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(N[6a]C[6a])	N[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a,6a]N[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(N[6a]C[6a]){2|H<1>,5|C<3>}	N[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]N[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|O<2>,4|C<3>}	128.8920	0.000	1	128.8920	0.000	1	128.8920	0.000	1	127.2296	2.881	87	126.8151	1.886	195	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:2:	3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]C[5])(N[6a]C[5,6a])	N[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]C[5])(N[6a]C[5,6a]){1|H<1>,1|O<1>,4|C<3>}	N[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2){1|N<2>,1|O<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	127.5430	0.000	1	127.5430	0.000	1	127.5430	0.000	1	127.2296	2.881	87	126.8151	1.886	195	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:2:	3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a])	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]N[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a]){2|H<1>,4|C<3>}	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]N[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,4|C<3>}	128.8710	0.000	1	128.8710	0.000	1	129.6340	0.311	4	127.2296	2.881	87	126.8151	1.886	195	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:2:	3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a])	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]N[6a])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]N[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a]){1|H<1>,1|N<2>,4|C<3>}	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]N[6a]){2|N<2>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]N[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,4|C<3>}	129.8883	0.280	3	129.8883	0.078	3	129.6340	0.311	4	127.2296	2.881	87	126.8151	1.886	195	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:2:	3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a])	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a]){1|O<1>,3|C<3>,3|H<1>}	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	125.8120	0.079	2	126.1043	0.260	3	125.7740	3.276	8	127.2296	2.881	87	126.8151	1.886	195	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:2:	3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a])	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a]){1|O<1>,3|C<3>,3|H<1>}	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H){5|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	126.6890	0.000	1	126.1043	0.260	3	125.7740	3.276	8	127.2296	2.881	87	126.8151	1.886	195	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:2:	3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a])	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]I)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a]){1|H<1>,1|O<1>,2|I<1>,3|C<3>}	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]I){1|O<1>,2|H<1>,3|C<3>}	126.0560	0.000	1	126.0560	0.000	1	125.7740	3.276	8	127.2296	2.881	87	126.8151	1.886	195	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:2:	3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a])	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]N)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a]){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]N){1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	124.2770	0.000	1	124.2770	0.000	1	125.7740	3.276	8	127.2296	2.881	87	126.8151	1.886	195	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:2:	3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a])	N[6a](C[5,6a]C[5,6a]2)(C[6a]N[6a]H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a]){1|N<2>,3|C<3>,4|H<1>}	N[6a](C[5,6a]C[5,6a]2)(C[6a]N[6a]H){1|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Cl<1>,2|H<1>,4|C<3>}	127.6450	0.625	2	127.6450	0.391	2	125.7740	3.276	8	127.2296	2.881	87	126.8151	1.886	195	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:2:	3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(N[6a]C[6a])	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(N[6a]C[6a]){1|O<1>,3|H<1>,4|C<3>}	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H){1|H<1>,1|P<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	122.2560	0.000	1	122.2560	0.000	1	125.7740	3.276	8	127.2296	2.881	87	126.8151	1.886	195	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:2:	3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5a,6a]-3:C[5,6a]-3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[6a]C[5a,6a])	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]N[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[6a]C[5a,6a]){1|H<1>,5|C<3>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]2){1|H<1>,1|N<2>,1|S<2>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]N[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,4|C<3>}	128.0310	0.636	2	128.0310	0.405	2	128.0310	0.405	2	127.2296	2.881	87	126.8151	1.886	195	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:2:	3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(N[6a]C[5a,6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]2)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(N[6a]C[5a,6a]){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]2){1|H<1>,1|N<3>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	123.5590	0.000	1	124.4142	0.637	6	124.4142	0.637	6	127.2296	2.881	87	126.8151	1.886	195	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:2:	3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(N[6a]C[5a,6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]2)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(N[6a]C[5a,6a]){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]2){1|N<2>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	124.8988	0.338	4	124.4142	0.637	6	124.4142	0.637	6	127.2296	2.881	87	126.8151	1.886	195	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:2:	3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(N[6a]C[5a,6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]2)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(N[6a]C[5a,6a]){1|H<1>,1|N<3>,5|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]2){1|N<2>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,4|C<3>}	123.3310	0.000	1	124.4142	0.637	6	124.4142	0.637	6	127.2296	2.881	87	126.8151	1.886	195	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:2:	3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[6a,6a]-3:C[5,6a]-3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[5,6a]C[5,6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]N[6a])(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(N[6a]C[6a,6a]){1|C<4>,1|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[5,6a]C[5,6a]2){7|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]N[6a])(C[6a]C[6a]C){1|H<1>,5|C<3>}	127.1060	0.000	1	127.1060	0.000	1	128.6635	0.536	13	127.2296	2.881	87	126.8151	1.886	195	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:2:	3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[6a,6a]-3:C[5,6a]-3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]N[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a]){1|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2){1|H<1>,1|N<2>,5|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]N[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,4|C<3>}	128.6478	0.493	4	128.8239	0.349	8	128.6635	0.536	13	127.2296	2.881	87	126.8151	1.886	195	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:2:	3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[6a,6a]-3:C[5,6a]-3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]N[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a]){1|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2){1|N<2>,1|O<2>,5|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]N[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,4|C<3>}	129.0000	0.699	4	128.8239	0.349	8	128.6635	0.536	13	127.2296	2.881	87	126.8151	1.886	195	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:2:	3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[6a,6a]-3:C[5,6a]-3:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[5,6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]N[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a]){1|H<1>,1|N<2>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[5,6a]2){2|N<2>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]N[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,4|C<3>}	128.7322	0.667	4	128.7322	0.444	4	128.6635	0.536	13	127.2296	2.881	87	126.8151	1.886	195	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:2:	3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]N[6a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]N[6a])(N[6a]C[6a,6a]){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>,2|N<2>}	128.5655	0.036	2	128.0412	0.164	24	127.5906	0.994	40	127.2296	2.881	87	126.8151	1.886	195	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:2:	3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]N[6a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]N[6a])(N[6a]C[6a,6a]){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	128.0047	0.406	20	128.0412	0.164	24	127.5906	0.994	40	127.2296	2.881	87	126.8151	1.886	195	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:2:	3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]N[6a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]N[6a])(N[6a]C[6a,6a]){1|H<1>,2|C<4>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	127.8825	0.032	2	128.0412	0.164	24	127.5906	0.994	40	127.2296	2.881	87	126.8151	1.886	195	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:2:	3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]N[6a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]N[6a])(N[6a]C[6a,6a]){1|H<1>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	127.9050	0.000	1	127.9050	0.000	1	127.5906	0.994	40	127.2296	2.881	87	126.8151	1.886	195	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:2:	3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[5,6a]C[5,6a]2)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a,6a]){1|H<1>,1|O<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[5,6a]C[5,6a]2){7|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	124.8970	0.000	1	125.6425	1.112	2	127.5906	0.994	40	127.2296	2.881	87	126.8151	1.886	195	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:2:	3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[5,6a]C[5,6a]2)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a,6a]){3|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[5,6a]C[5,6a]2){1|C<4>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,4|H<1>}	126.3880	0.000	1	125.6425	1.112	2	127.5906	0.994	40	127.2296	2.881	87	126.8151	1.886	195	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:2:	3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a,6a]){1|H<1>,1|O<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2){1|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	125.9360	0.000	1	125.6740	0.125	5	127.5906	0.994	40	127.2296	2.881	87	126.8151	1.886	195	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:2:	3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a,6a]){3|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2){1|C<4>,1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,4|H<1>}	125.6085	0.371	4	125.6740	0.125	5	127.5906	0.994	40	127.2296	2.881	87	126.8151	1.886	195	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:2:	3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]C[5])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]C[5])(N[6a]C[6a,6a]){1|H<1>,1|N<2>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2){1|H<1>,1|N<2>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<3>,2|H<1>,2|N<2>}	128.5750	0.000	1	127.8841	0.256	8	127.5906	0.994	40	127.2296	2.881	87	126.8151	1.886	195	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:2:	3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]C[5])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]C[5])(N[6a]C[6a,6a]){1|H<1>,1|O<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2){1|C<2>,1|N<2>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	127.6377	0.588	3	127.8841	0.256	8	127.5906	0.994	40	127.2296	2.881	87	126.8151	1.886	195	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:2:	3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]C[5])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]C[5])(N[6a]C[6a,6a]){1|H<1>,1|O<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2){1|H<1>,1|N<2>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	128.1965	0.107	2	127.8841	0.256	8	127.5906	0.994	40	127.2296	2.881	87	126.8151	1.886	195	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:2:	3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]C[5])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]C[5])(N[6a]C[6a,6a]){1|H<1>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	127.4150	0.000	1	127.8841	0.256	8	127.5906	0.994	40	127.2296	2.881	87	126.8151	1.886	195	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:2:	3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]C[5])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]C[5])(N[6a]C[6a,6a]){3|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2){1|C<2>,1|C<4>,1|N<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,2|C<3>,4|H<1>}	127.7770	0.000	1	127.8841	0.256	8	127.5906	0.994	40	127.2296	2.881	87	126.8151	1.886	195	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:2:	3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:N[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,6a]C[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)	C[5,6a](C[5,6a]C[5,6a]N[6a])(N[5,6a]C[6a]C[5])(C[6a]C[6,6a]H)	C[5,6a](C[5,6a]N[5,6a]C[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a,6a]){1|C<4>,3|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(N[5,6a]C[6a]C[5])(C[6a]C[6,6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	124.9320	0.000	1	124.9320	0.000	1	125.1848	0.057	5	127.2296	2.881	87	126.8151	1.886	195	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:2:	3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:N[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,6a]C[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)	C[5,6a](C[5,6a]C[5,6a]N[6a])(N[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6a]C[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a,6a]){1|C<4>,3|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(N[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	124.9350	0.000	1	125.2480	0.050	4	125.1848	0.057	5	127.2296	2.881	87	126.8151	1.886	195	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:2:	3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:N[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,6a]C[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)	C[5,6a](C[5,6a]C[5,6a]N[6a])(N[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6a]C[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a,6a]){4|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(N[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	125.3840	0.112	2	125.2480	0.050	4	125.1848	0.057	5	127.2296	2.881	87	126.8151	1.886	195	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:2:	3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:N[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,6a]C[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)	C[5,6a](C[5,6a]C[5,6a]N[6a])(N[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6a]C[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a,6a]){4|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2){1|C<4>,1|N<3>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(N[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	125.2890	0.000	1	125.2480	0.050	4	125.1848	0.057	5	127.2296	2.881	87	126.8151	1.886	195	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:2:	3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[6a,6a]-3:C[5,6a]-3:	C[5a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[5a,6a]C[5,6a])(C[5,6a]N[6a]C[5])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)	C[5,6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[5,6a]C[5,6a]N[6a])(C[5,6a]C[5,6a]C[5])	C[5,6a](C[5,6a]C[5a,6a]C[5,6a])(C[5,6a]N[6a]C[5])(N[6a]C[6a,6a]){1|N<2>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2){1|H<1>,1|N<2>,5|C<3>}	C[5,6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[5,6a]C[5,6a]N[6a])(C[5,6a]C[5,6a]C[5]){2|N<2>,6|C<3>}	128.2480	0.000	1	128.2480	0.000	1	128.2480	0.000	1	127.2296	2.881	87	126.8151	1.886	195	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:2:	3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6,6a]C[5])(N[6a]C[6a])	N[6a](C[6a]C[6,6a]C[5])(C[5,6a]C[5,6a]2)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6,6a]C[5])(N[6a]C[6a]){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	N[6a](C[6a]C[6,6a]C[5])(C[5,6a]C[5,6a]2){1|C<4>,1|N<3>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	125.6890	0.000	1	125.6890	0.000	1	125.6890	0.000	1	127.2296	2.881	87	126.8151	1.886	195	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:2:	3:3:	3:3:3:	C[5,6a]-3:N[5,6a]-3:N[6a]-2:	C[5,6a]-3:C[6a,6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(N[5,6a]C[6a]C[5])(N[6a]C[6a,6a])	N[6a](C[5,6a]C[5,6a]N[5,6a])(C[6a,6a]C[6a,6a]C[6a])	C[5,6a](C[5,6a]N[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[5,6a]C[6a])(N[5,6a]C[6a]C[5])(N[6a]C[6a,6a]){1|C<4>,1|O<1>,1|O<2>,5|C<3>}	N[6a](C[5,6a]C[5,6a]N[5,6a])(C[6a,6a]C[6a,6a]C[6a]){1|C<4>,1|H<1>,5|C<3>}	C[5,6a](C[5,6a]N[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){1|O<2>,2|H<1>,4|C<3>}	128.8210	0.000	1	128.8210	0.000	1	125.8302	4.262	5	127.2296	2.881	87	126.8151	1.886	195	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:2:	3:3:	3:3:3:	C[5,6a]-3:N[5,6a]-3:N[6a]-2:	C[5,6a]-3:C[6a,6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(N[5,6a]C[6a]C[5])(N[6a]C[6a,6a])	N[6a](C[5,6a]C[5,6a]N[5,6a])(C[6a,6a]C[6a,6a]C[6a])	C[5,6a](C[5,6a]N[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(N[5,6a]C[6a]C[5])(N[6a]C[6a,6a]){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	N[6a](C[5,6a]C[5,6a]N[5,6a])(C[6a,6a]C[6a,6a]C[6a]){1|C<4>,1|H<1>,5|C<3>}	C[5,6a](C[5,6a]N[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	126.9740	0.000	1	126.9740	0.000	1	125.8302	4.262	5	127.2296	2.881	87	126.8151	1.886	195	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:2:	3:3:	3:3:3:	C[5,6a]-3:N[5,6a]-3:N[6a]-2:	C[5,6a]-3:C[6a,6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(N[5,6a]C[6a]Se[5])(N[6a]C[6a,6a])	N[6a](C[5,6a]C[5,6a]N[5,6a])(C[6a,6a]C[6a,6a]C[6a])	C[5,6a](C[5,6a]N[5,6a]N[6a])(C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(N[5,6a]C[6a]Se[5])(N[6a]C[6a,6a]){1|H<1>,1|O<1>,4|C<3>}	N[6a](C[5,6a]C[5,6a]N[5,6a])(C[6a,6a]C[6a,6a]C[6a]){1|Se<2>,1|H<1>,5|C<3>}	C[5,6a](C[5,6a]N[5,6a]N[6a])(C[5,6a]C[6a]Se[5])(C[6a]C[6a]H){2|H<1>,3|C<3>}	124.4520	0.740	3	124.4520	0.547	3	125.8302	4.262	5	127.2296	2.881	87	126.8151	1.886	195	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,5a]	3:3:2:	3:3:	3:3:3:	C[5a,5a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,6a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]S[5a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]N[6a]O)	C[5a,5a](C[5a,6a]C[5a,6a]N[6a])(C[5a,5a]S[5a]2)(C[5a]C[5a]N)	C[5a,6a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]S[5a])(N[6a]C[6a]){1|C<3>,1|O<1>,1|O<2>,1|S<2>,2|N<3>}	N[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]N[6a]O){1|S<2>,4|C<3>}	C[5a,5a](C[5a,6a]C[5a,6a]N[6a])(C[5a,5a]S[5a]2)(C[5a]C[5a]N){3|C<3>}	123.5140	0.000	1	123.5140	0.000	1	123.5140	0.000	1	123.5140	0.000	1	123.5140	0.000	1	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6]	3:3:2:	3:3:	3:3:2:	C[5a,6]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a]-3:C[6a,6a]-3:	N[5a,6,6]-3:C[5a,6a]-3:N[6]-2:	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]N[6a])(N[6a]C[6a,6a])	N[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a,6a]C[6a,6a]C[6a])	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]N[6a])(N[6]C[5a,6])	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]N[6a])(N[6a]C[6a,6a]){1|B<4>,1|N<2>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,1|N<3>,2|N<2>,3|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]N[6a])(N[6]C[5a,6]){1|O<2>,2|C<3>,2|N<2>,2|N<3>}	130.2520	0.000	1	130.2520	0.000	1	130.2520	0.000	1	129.7990	0.410	2	129.7990	0.410	2	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6]	3:3:2:	3:3:	3:3:2:	C[5a,6]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a,6]-3:N[6]-2:	C[5a,6a](C[5a,6]N[5a,6]N[6])(C[5a,6a]C[5a]N[6a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]C)	C[5a,6](C[5a,6a]C[5a,6a]N[6a])(N[5a,6]C[5a]B[6])(N[6]C[5a,6])	C[5a,6a](C[5a,6]N[5a,6]N[6])(C[5a,6a]C[5a]N[6a])(N[6a]C[6a]){1|B<4>,1|C<4>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]C){1|C<3>,1|C<4>,1|N<3>,2|N<2>}	C[5a,6](C[5a,6a]C[5a,6a]N[6a])(N[5a,6]C[5a]B[6])(N[6]C[5a,6]){1|N<2>,1|N<3>,2|F<1>,3|C<3>}	129.3460	0.000	1	129.3460	0.000	1	129.3460	0.000	1	129.7990	0.410	2	129.7990	0.410	2	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(N[6a]C[5,6a])	N[6a](C[5,6a]N[5,6a]N[5])(C[5a,6a]C[5a,6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(N[6a]C[5,6a]){1|H<1>,1|O<1>,2|C<3>,2|N<3>}	N[6a](C[5,6a]N[5,6a]N[5])(C[5a,6a]C[5a,6a]2){1|C<4>,1|O<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	129.0100	0.000	1	129.0100	0.000	1	126.2540	15.191	2	128.9614	6.200	72	128.9614	6.200	72	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(N[6a]C[5,6a])	N[6a](C[5,6a]N[5,6a]N[5])(C[5a,6a]C[5a,6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(N[6a]C[5,6a]){1|H<1>,1|O<1>,2|C<3>,2|N<3>}	N[6a](C[5,6a]N[5,6a]N[5])(C[5a,6a]C[5a,6a]2){1|C<4>,1|S<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	123.4980	0.000	1	123.4980	0.000	1	126.2540	15.191	2	128.9614	6.200	72	128.9614	6.200	72	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]N[6a])(N[6a]C[5a,6a])	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]N[6a])(N[6a]C[5a,6a]){1|H<1>,1|O<1>,4|C<3>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]2){1|N<2>,1|O<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	127.8330	0.000	1	127.8330	0.000	1	129.4203	1.446	4	128.9614	6.200	72	128.9614	6.200	72	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(N[6a]C[5a,6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(N[6a]C[5a,6a]){1|N<3>,2|H<1>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2){1|N<2>,1|O<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	129.3460	0.000	1	129.3460	0.000	1	129.4203	1.446	4	128.9614	6.200	72	128.9614	6.200	72	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(N[6a]C[5a,6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(N[6a]C[5a,6a]){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2){1|C<4>,1|N<2>,1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	130.7170	0.000	1	130.2510	0.434	2	129.4203	1.446	4	128.9614	6.200	72	128.9614	6.200	72	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(N[6a]C[5a,6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(N[6a]C[5a,6a]){1|H<1>,1|N<2>,4|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2){1|N<3>,1|O<2>,2|C<3>,2|N<2>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	129.7850	0.000	1	130.2510	0.434	2	129.4203	1.446	4	128.9614	6.200	72	128.9614	6.200	72	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[6a]C[6a,6a])	N[6a](C[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a,6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[6a]C[6a,6a]){1|C<4>,1|H<1>,5|C<3>}	N[6a](C[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a,6a]2){1|N<3>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	127.5605	0.500	2	127.5605	0.250	2	127.5605	0.250	2	128.9614	6.200	72	128.9614	6.200	72	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[6a]C[6a]){1|C<4>,1|H<1>,5|C<3>}	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2){1|N<3>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	128.4570	0.000	1	129.0278	2.178	6	129.0029	6.634	42	128.9614	6.200	72	128.9614	6.200	72	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[6a]C[6a]){1|H<1>,1|S<4>,5|C<3>}	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2){2|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<4>,2|H<1>,3|C<3>}	126.6670	0.000	1	129.0278	2.178	6	129.0029	6.634	42	128.9614	6.200	72	128.9614	6.200	72	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[6a]C[6a]){2|H<1>,5|C<3>}	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2){1|H<1>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	128.9725	0.124	2	129.0278	2.178	6	129.0029	6.634	42	128.9614	6.200	72	128.9614	6.200	72	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[6a]C[6a]){3|H<1>,4|C<3>}	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2){1|N<3>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	130.5490	0.585	2	129.0278	2.178	6	129.0029	6.634	42	128.9614	6.200	72	128.9614	6.200	72	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[6a]C[6a]){1|S<4>,2|H<1>,4|C<3>}	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<4>,2|H<1>,3|C<3>}	127.4320	0.000	1	128.4225	1.962	2	129.0029	6.634	42	128.9614	6.200	72	128.9614	6.200	72	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[6a]C[6a]){3|C<3>,4|H<1>}	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	129.4130	0.000	1	128.4225	1.962	2	129.0029	6.634	42	128.9614	6.200	72	128.9614	6.200	72	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[6a]C[6a]){1|N<2>,3|C<3>,3|H<1>}	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	132.0600	0.000	1	132.0600	0.000	1	129.0029	6.634	42	128.9614	6.200	72	128.9614	6.200	72	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]N)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[6a]C[6a]){1|H<1>,1|N<3>,1|S<4>,4|C<3>}	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]N){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<4>,2|H<1>,3|C<3>}	126.4580	0.000	1	126.4580	0.000	1	129.0029	6.634	42	128.9614	6.200	72	128.9614	6.200	72	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[6a]C[6a]){1|O<2>,3|C<3>,3|H<1>}	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	130.0825	0.183	4	130.0825	0.034	4	129.0029	6.634	42	128.9614	6.200	72	128.9614	6.200	72	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[6a]C[6a]){1|N<2>,1|O<2>,2|C<3>,3|H<1>}	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]N[6a]H){2|H<1>,3|C<3>}	129.8390	0.140	2	129.8390	0.020	2	129.0029	6.634	42	128.9614	6.200	72	128.9614	6.200	72	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]N[6a])	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]N[6a]){1|O<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	130.9240	0.000	1	130.9240	0.000	1	129.0029	6.634	42	128.9614	6.200	72	128.9614	6.200	72	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]N)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(N[6a]C[6a]){1|H<1>,1|O<1>,2|C<3>,2|N<3>}	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]N){1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	129.6163	0.335	4	129.6163	0.112	4	129.0029	6.634	42	128.9614	6.200	72	128.9614	6.200	72	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]N[6])	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(N[6a]C[6a]){1|H<1>,1|O<1>,2|C<3>,2|N<3>}	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]N[6]){1|O<2>,2|C<4>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	129.8415	0.166	2	129.9937	0.083	3	129.0029	6.634	42	128.9614	6.200	72	128.9614	6.200	72	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]N[6])	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(N[6a]C[6a]){1|H<1>,1|O<1>,2|C<3>,2|N<3>}	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]N[6]){1|O<2>,3|C<3>,3|C<4>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	130.2980	0.000	1	129.9937	0.083	3	129.0029	6.634	42	128.9614	6.200	72	128.9614	6.200	72	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(N[6a]C[6a]){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]O){1|C<4>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	130.2950	0.455	2	129.9398	0.240	4	129.0029	6.634	42	128.9614	6.200	72	128.9614	6.200	72	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(N[6a]C[6a]){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]O){1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	129.5845	0.086	2	129.9398	0.240	4	129.0029	6.634	42	128.9614	6.200	72	128.9614	6.200	72	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[5a]N[6a])	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(N[6a]C[6a]){1|H<1>,1|O<1>,2|C<3>,2|N<3>}	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[5a]N[6a]){1|C<4>,1|S<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	124.7080	0.000	1	124.7080	0.000	1	129.0029	6.634	42	128.9614	6.200	72	128.9614	6.200	72	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]N)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(N[6a]C[6a]){1|H<1>,1|O<1>,2|C<3>,2|N<3>}	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]N){1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	123.8560	0.523	2	123.8560	0.274	2	129.0029	6.634	42	128.9614	6.200	72	128.9614	6.200	72	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]N[6])	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(N[6a]C[6a]){1|H<1>,1|O<1>,2|C<3>,2|N<3>}	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]N[6]){1|S<2>,2|C<4>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	124.1933	0.215	3	124.1933	0.046	3	129.0029	6.634	42	128.9614	6.200	72	128.9614	6.200	72	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(N[6a]C[6a]){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]O){1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	123.2330	0.000	1	123.2330	0.000	1	129.0029	6.634	42	128.9614	6.200	72	128.9614	6.200	72	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(N[6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	131.8140	0.000	1	131.7425	0.188	6	129.0029	6.634	42	128.9614	6.200	72	128.9614	6.200	72	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(N[6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2){1|N<2>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	131.7282	0.484	5	131.7425	0.188	6	129.0029	6.634	42	128.9614	6.200	72	128.9614	6.200	72	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(N[6a]C[6a]){1|C<4>,1|H<1>,1|S<4>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C){1|N<2>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,1|S<4>,2|C<3>,2|H<1>}	130.7670	0.000	1	130.7670	0.000	1	129.0029	6.634	42	128.9614	6.200	72	128.9614	6.200	72	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[5a]C[6a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[5a]C[6a])(N[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[5a]C[6a])(N[6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[5a]C[6a])(N[6a]C[6a]C){2|H<1>,4|C<3>}	127.9840	0.000	1	128.7020	0.392	3	127.7648	1.844	5	128.9614	6.200	72	128.9614	6.200	72	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[5a]C[6a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[5a]C[6a])(N[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[5a]C[6a])(N[6a]C[6a]){1|C<4>,3|C<3>,3|H<1>}	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[5a]C[6a])(N[6a]C[6a]C){3|C<3>,3|H<1>}	129.0610	0.100	2	128.7020	0.392	3	127.7648	1.844	5	128.9614	6.200	72	128.9614	6.200	72	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[5a]C[6a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[5a]C[6a])(N[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[5a]C[6a])(N[6a]C[6a]){3|H<1>,4|C<3>}	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[5a]C[6a])(N[6a]C[6a]H){2|H<1>,4|C<3>}	126.3590	0.065	2	126.3590	0.004	2	127.7648	1.844	5	128.9614	6.200	72	128.9614	6.200	72	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Br)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[6a]C[6a]){1|Br<1>,2|H<1>,4|C<3>}	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Br){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	125.2860	0.000	1	125.2860	0.000	1	125.2860	0.000	1	128.9614	6.200	72	128.9614	6.200	72	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[6a]C[6a,6a]){1|H<1>,1|O<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2){1|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	124.9565	0.087	2	124.9565	0.008	2	129.2696	5.657	12	128.9614	6.200	72	128.9614	6.200	72	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[6a]C[6a,6a]){1|N<3>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2){1|H<1>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	129.3980	0.000	1	129.3980	0.000	1	129.2696	5.657	12	128.9614	6.200	72	128.9614	6.200	72	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(N[6a]C[6a,6a]){1|C<4>,1|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	131.2813	0.385	3	130.6496	0.470	8	129.2696	5.657	12	128.9614	6.200	72	128.9614	6.200	72	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(N[6a]C[6a,6a]){1|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	130.4862	0.223	4	130.6496	0.470	8	129.2696	5.657	12	128.9614	6.200	72	128.9614	6.200	72	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(N[6a]C[6a,6a]){2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,3|H<1>}	129.4080	0.000	1	130.6496	0.470	8	129.2696	5.657	12	128.9614	6.200	72	128.9614	6.200	72	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[6a]S[5a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[6a]S[5a])(N[6a]C[6a,6a]){1|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2){1|C<2>,1|N<2>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	126.7270	0.000	1	126.7270	0.000	1	129.2696	5.657	12	128.9614	6.200	72	128.9614	6.200	72	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a,6a]-3:N[6a]-2:	C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(N[6a]C[6a,6a])	N[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a,6a]C[6a,6a]C[6a])	C[5a,6a](C[5a,6a]N[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(N[6a]C[6a,6a]){1|H<1>,1|O<1>,5|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	129.5370	0.000	1	129.5370	0.000	1	129.5370	0.000	1	128.9614	6.200	72	128.9614	6.200	72	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a,6a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]N[5a,6a]N[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(N[6a]C[6a]){1|C<4>,1|N<2>,4|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]2){1|H<1>,1|N<2>,5|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]N[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C){1|H<1>,3|C<3>}	131.0110	0.000	1	131.0110	0.000	1	132.3013	1.888	3	128.9614	6.200	72	128.9614	6.200	72	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a,6a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]O[6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(N[6a]C[6a]){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]O[6a]O){1|I<1>,3|C<3>}	132.1470	0.000	1	132.1470	0.000	1	132.3013	1.888	3	128.9614	6.200	72	128.9614	6.200	72	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a,6a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]S)	C[5a,6a](C[5a,6a]N[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]I)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(N[6a]C[6a]){1|I<1>,1|S<2>,4|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]S){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]I){2|H<1>,3|C<3>}	133.7460	0.000	1	133.7460	0.000	1	132.3013	1.888	3	128.9614	6.200	72	128.9614	6.200	72	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a]	3:2:3:	3:3:	3:2:1:	C[5a,6a]-3:N[6a]-2:C[5a]-3:	C[5a,6a]-3:C[5,6a]-3:	C[5a,6a]-3:S[5a]-2:H-1:	C[5a,6a](C[5a,6a]C[5a]N[6a])(N[6a]C[5,6a])(C[5a]S[5a]H)	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]2)	C[5a](C[5a,6a]C[5a,6a]N[6a])(S[5a]C[5a])(H)	C[5a,6a](C[5a,6a]C[5a]N[6a])(N[6a]C[5,6a])(C[5a]S[5a]H){1|H<1>,2|C<3>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]2){1|H<1>,1|N<2>,1|S<2>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]N[6a])(S[5a]C[5a])(H){1|C<3>,1|H<1>,1|N<2>}	124.6255	0.309	2	124.6255	0.095	2	124.6255	0.095	2	124.6255	0.095	2	130.6887	8.480	173	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a]	3:2:3:	3:3:	3:2:3:	C[5a,6a]-3:N[6a]-2:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:O[5a]-2:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a,6a])(C[5a]O[5a]C)	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])	C[5a](C[5a,6a]C[5a,6a]N[6a])(O[5a]C[5a])(CC[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a,6a])(C[5a]O[5a]C){1|H<1>,1|O<2>,2|C<3>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,1|O<2>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]N[6a])(O[5a]C[5a])(CC[6a]H){1|O<2>,2|C<3>}	125.7590	0.000	1	125.7590	0.000	1	125.7590	0.000	1	125.7590	0.000	1	130.6887	8.480	173	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a,6a]-3:N[6a]-2:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[6a]C[5a,6a])(C[5a]C[5a]H)	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]N[5a])	C[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]N[5a])(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[6a]C[5a,6a])(C[5a]C[5a]H){1|C<4>,1|N<3>,2|C<3>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]N[5a]){1|C<4>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]N[5a])(H){1|C<4>,1|N<2>,3|C<3>}	131.2720	0.000	1	131.2720	0.000	1	131.0605	0.321	4	132.0091	1.728	10	130.6887	8.480	173	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a,6a]-3:N[6a]-2:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[6a]C[5a,6a])(C[5a]C[5a]H)	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]N[5a])	C[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[6a]C[5a,6a])(C[5a]C[5a]H){1|C<4>,1|N<3>,2|C<3>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]N[5a]){1|C<4>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(H){1|C<4>,1|N<2>,3|C<3>}	130.2270	0.000	1	130.2270	0.000	1	131.0605	0.321	4	132.0091	1.728	10	130.6887	8.480	173	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a,6a]-3:N[6a]-2:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[6a]C[5a,6a])(C[5a]C[5a]H)	N[6a](C[5a,6a]C[5a,6a]C[5a])2	C[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[6a]C[5a,6a])(C[5a]C[5a]H){1|C<4>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]C[5a])2{1|N<2>,2|C<3>,2|H<1>,2|N<3>}	C[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(H){1|C<4>,1|N<2>,3|C<3>}	131.2510	0.000	1	131.2510	0.000	1	131.0605	0.321	4	132.0091	1.728	10	130.6887	8.480	173	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a,6a]-3:N[6a]-2:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[6a]C[5a,6a])(C[5a]C[5a]H)	N[6a](C[5a,6a]C[5a,6a]C[5a])2	C[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[6a]C[5a,6a])(C[5a]C[5a]H){1|C<4>,1|H<1>,2|C<3>}	N[6a](C[5a,6a]C[5a,6a]C[5a])2{1|N<2>,2|C<3>,2|H<1>,2|N<3>}	C[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(H){1|C<3>,1|C<4>,1|N<2>}	131.4920	0.000	1	131.4920	0.000	1	131.0605	0.321	4	132.0091	1.728	10	130.6887	8.480	173	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a,6a]-3:N[6a]-2:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]N[6a]O[5a])(N[6a]C[6a,6a])(C[5a]C[5a]H)	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])	C[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]O[5a])(H)	C[5a,6a](C[5a,6a]N[6a]O[5a])(N[6a]C[6a,6a])(C[5a]C[5a]H){3|C<3>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a]){1|N<2>,1|O<2>,2|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]O[5a])(H){1|N<2>,3|C<3>}	132.9010	0.000	1	132.9010	0.000	1	133.0860	0.068	2	132.0091	1.728	10	130.6887	8.480	173	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a,6a]-3:N[6a]-2:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]N[6a]O[5a])(N[6a]C[6a,6a])(C[5a]C[5a]H)	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])	C[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]O[5a]C[6])(H)	C[5a,6a](C[5a,6a]N[6a]O[5a])(N[6a]C[6a,6a])(C[5a]C[5a]H){3|C<3>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a]){1|N<2>,1|O<2>,2|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]O[5a]C[6])(H){1|C<2>,1|N<2>,2|C<3>}	133.2710	0.000	1	133.2710	0.000	1	133.0860	0.068	2	132.0091	1.728	10	130.6887	8.480	173	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a]	3:2:3:	3:3:	3:3:1:	N[5a,6a]-3:N[6a]-2:C[5a]-3:	C[5a,6a]-3:C[6,6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[6a]C[6,6a])(C[5a]C[5a]H)	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6,6a]C[6,6a]2)	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[6a]N[5a])(H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[6a]C[6,6a])(C[5a]C[5a]H){1|C<4>,3|C<3>}	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6,6a]C[6,6a]2){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[6a]N[5a])(H){4|C<3>}	133.1807	0.696	3	133.1807	0.485	3	133.1807	0.485	3	132.0091	1.728	10	130.6887	8.480	173	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a]	3:2:3:	3:3:	3:3:1:	N[5a,6a]-3:N[6a]-2:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[6a]C[6a,6a])(C[5a]C[5a]H)	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[6a]N[5a])(H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[6a]C[6a,6a])(C[5a]C[5a]H){1|O<1>,4|C<3>}	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[6a]N[5a])(H){5|C<3>}	130.1350	0.000	1	130.1350	0.000	1	130.1350	0.000	1	132.0091	1.728	10	130.6887	8.480	173	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a]	3:2:3:	3:3:	3:3:2:	N[5a,6a]-3:N[6a]-2:C[5a]-3:	C[5a,6a]-3:C[5,6a]-3:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[6a]C[5,6a])(C[5a]C[5a]C)	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[5,6a]C[5,6a]C[5])	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]S)(CN)	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[6a]C[5,6a])(C[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[5,6a]C[5,6a]C[5]){1|C<2>,1|N<2>,1|O<2>,1|S<4>,2|C<3>,2|C<4>}	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]S)(CN){2|C<3>}	132.3600	0.000	1	132.3600	0.000	1	132.3600	0.000	1	132.3600	0.000	1	130.6887	8.480	173	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:N[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]N[6a])(N[6a]C[6a,6a])(C[5a]N[5a]C)	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]2)	C[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a]Zn)(CC[5a]C[6a])	C[5a,6a](C[5a,6a]C[5a]N[6a])(N[6a]C[6a,6a])(C[5a]N[5a]C){1|Zn<5>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]2){1|N<2>,1|N<3>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a]Zn)(CC[5a]C[6a]){1|N<2>,2|C<3>}	130.9100	0.816	2	130.9100	0.666	2	130.9100	0.666	2	130.9100	0.666	2	130.6887	8.480	173	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a]	3:3:2:	3:2:	3:2:3:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:N[6a]-2:	C[5a,6a]-3:N[5a]-2:C-3:	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])	C[5a](C[5a,6a]N[5a,6a]N[6a])(N[5a]C[5a])(CNO)	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>}	N[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]N[6a]){1|C<4>,1|N<2>,3|C<3>}	C[5a](C[5a,6a]N[5a,6a]N[6a])(N[5a]C[5a])(CNO){1|C<3>,1|H<1>,1|N<2>}	133.4008	0.560	10	133.4008	0.313	10	133.3749	0.318	12	133.3749	0.318	12	130.6887	8.480	173	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a]	3:3:2:	3:2:	3:2:3:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:N[6a]-2:	C[5a,6a]-3:N[5a]-2:C-3:	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])	C[5a](C[5a,6a]N[5a,6a]N[6a])(N[5a]C[5a])(COO)	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>}	N[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]N[6a]){1|C<4>,1|N<2>,3|C<3>}	C[5a](C[5a,6a]N[5a,6a]N[6a])(N[5a]C[5a])(COO){1|C<3>,1|H<1>,1|N<2>}	133.2455	0.801	2	133.2455	0.642	2	133.3749	0.318	12	133.3749	0.318	12	130.6887	8.480	173	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a]	3:3:2:	3:2:	3:3:1:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	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])	C[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]S[5a]H)(H)	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>}	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[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]S[5a]H)(H){1|C<3>,1|N<2>}	124.0710	0.000	1	124.0710	0.000	1	124.0710	0.000	1	126.9043	6.098	3	130.6887	8.480	173	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a]	3:3:2:	3:2:	3:3:1:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	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])	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[5a]H)(H)	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>}	N[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a]){1|H<1>,4|C<3>}	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[5a]H)(H){1|N<2>,2|C<3>}	128.3210	0.392	2	128.3210	0.153	2	128.3210	0.153	2	126.9043	6.098	3	130.6887	8.480	173	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a]	3:3:2:	3:2:	3:3:3:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:N-3:	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])	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[5a]N[5a])(NOO)	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>}	N[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a]){1|N<2>,2|C<3>,2|N<3>}	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[5a]N[5a])(NOO){2|C<3>,2|N<2>}	134.1885	0.050	2	134.1885	0.003	2	133.6023	1.032	3	133.6023	1.032	3	130.6887	8.480	173	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a]	3:3:2:	3:2:	3:3:3:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:N-3:	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])	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]N)(NOO)	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>}	N[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a]){1|N<2>,2|C<3>,2|N<3>}	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]N)(NOO){1|C<3>,1|N<2>}	132.4300	0.000	1	132.4300	0.000	1	133.6023	1.032	3	133.6023	1.032	3	130.6887	8.480	173	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:2:1:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]N[5a]H)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)	C[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]N[5a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,2|C<3>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(H){1|C<4>,2|C<3>}	129.8700	0.000	1	129.8700	0.000	1	129.8700	0.000	1	126.7890	1.998	7	130.6887	8.480	173	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:2:1:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:S[5a]-2:Br-1:	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]S[5a]Br)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)	C[5a](C[5a,6a]C[5a,6a]N[6a])(S[5a]C[5a])(Br)	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]S[5a]Br)(N[6a]C[6a]){1|Br<1>,1|C<3>,1|C<4>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C){1|Br<1>,1|C<3>,1|C<4>,1|N<2>,1|S<2>}	C[5a](C[5a,6a]C[5a,6a]N[6a])(S[5a]C[5a])(Br){1|Br<1>,1|C<3>,1|N<2>}	127.0030	0.000	1	127.0030	0.000	1	126.7575	0.121	2	126.7890	1.998	7	130.6887	8.480	173	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:2:1:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:S[5a]-2:Br-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]S[5a]Br)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]N)	C[5a](C[5a,6a]C[5a,6a]N[6a])(S[5a]N[5a])(Br)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]S[5a]Br)(N[6a]C[6a]){1|N<2>,1|N<3>,1|O<1>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]N){1|Br<1>,1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[5a](C[5a,6a]C[5a,6a]N[6a])(S[5a]N[5a])(Br){2|C<3>}	126.5120	0.000	1	126.5120	0.000	1	126.7575	0.121	2	126.7890	1.998	7	130.6887	8.480	173	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:2:1:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:S[5a]-2:H-1:	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]S[5a]H)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)	C[5a](C[5a,6a]C[5a,6a]N[6a])(S[5a]C[5a])(H)	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]S[5a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|S<2>}	C[5a](C[5a,6a]C[5a,6a]N[6a])(S[5a]C[5a])(H){1|C<3>,1|H<1>,1|N<2>}	126.0345	0.177	4	126.0345	0.031	4	126.0345	0.031	4	126.7890	1.998	7	130.6887	8.480	173	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:2:2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H)	C[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(CN)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(N[6a]C[6a]){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H){1|C<2>,1|C<3>,1|N<2>,1|N<3>}	C[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(CN){3|C<3>}	130.2170	0.000	1	130.2170	0.000	1	130.0805	0.037	2	129.7479	10.715	7	130.6887	8.480	173	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:2:2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]N)	C[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(CN)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(N[6a]C[6a]){1|C<3>,1|O<1>,2|N<3>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]N){1|C<2>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(CN){3|C<3>}	129.9440	0.000	1	129.9440	0.000	1	130.0805	0.037	2	129.7479	10.715	7	130.6887	8.480	173	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:2:2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:S[5a]-2:C-2:	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]S[5a]C)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]N[6a])(S[5a]C[5a])(CC)	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]S[5a]C)(N[6a]C[6a]){1|C<2>,2|C<3>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2){1|C<2>,1|N<2>,1|S<2>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]N[6a])(S[5a]C[5a])(CC){1|C<2>,1|C<3>,1|N<2>}	125.2415	0.431	2	125.2415	0.185	2	125.2415	0.185	2	129.7479	10.715	7	130.6887	8.480	173	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:2:2:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C-2:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(N[6a]C[6a])	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C)	C[5a](C[5a,6a]N[5a,6a]N[6a])(N[5a]C[5a])(CN)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(N[6a]C[6a]){1|H<1>,3|C<3>}	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C){1|C<2>,1|H<1>,1|N<2>,2|C<3>}	C[5a](C[5a,6a]N[5a,6a]N[6a])(N[5a]C[5a])(CN){1|H<1>,2|C<3>}	132.4660	0.000	1	132.4660	0.000	1	132.5303	0.004	3	129.7479	10.715	7	130.6887	8.480	173	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:2:2:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C-2:	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(C[5a]N[5a]C)(N[6a]C[6a])	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]C)	C[5a](C[5a,6a]N[5a,6a]N[6a])(N[5a]N[5a])(CN)	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(C[5a]N[5a]C)(N[6a]C[6a]){1|C<4>,2|C<3>}	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]C){1|C<2>,2|C<3>,2|N<2>}	C[5a](C[5a,6a]N[5a,6a]N[6a])(N[5a]N[5a])(CN){2|C<3>}	132.5350	0.000	1	132.5350	0.000	1	132.5303	0.004	3	129.7479	10.715	7	130.6887	8.480	173	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:2:2:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C-2:	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(C[5a]N[5a]C)(N[6a]C[6a])	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]N)	C[5a](C[5a,6a]N[5a,6a]N[6a])(N[5a]N[5a])(CN)	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(C[5a]N[5a]C)(N[6a]C[6a]){1|N<3>,2|C<3>}	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]N){1|C<2>,2|C<3>,2|N<2>}	C[5a](C[5a,6a]N[5a,6a]N[6a])(N[5a]N[5a])(CN){2|C<3>}	132.5900	0.000	1	132.5900	0.000	1	132.5303	0.004	3	129.7479	10.715	7	130.6887	8.480	173	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:2:3:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:O[5a]-2:C[5]-3:	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]O[5a]C[5])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]N[6a])(O[5a]C[5a])(C[5]S[5]2)	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]O[5a]C[5])(N[6a]C[6a]){1|H<1>,2|C<3>,2|S<2>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]N[6a])(O[5a]C[5a])(C[5]S[5]2){1|N<2>,4|C<3>}	128.7465	1.836	8	128.7465	3.371	8	128.7465	3.371	8	128.7465	3.371	8	130.6887	8.480	173	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:2:4:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N[6a])	C[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<3>,1|O<1>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N[6a]){1|C<4>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(CCHH){1|C<4>,2|C<3>}	130.6110	0.385	2	130.6110	0.148	2	131.6330	1.459	4	128.9872	17.774	6	130.6887	8.480	173	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:2:4:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)	C[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(CH3)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(N[6a]C[6a]){3|C<3>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C){1|C<4>,2|N<2>,2|N<3>}	C[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(CH3){1|N<2>,2|C<3>}	132.8130	0.000	1	132.8130	0.000	1	131.6330	1.459	4	128.9872	17.774	6	130.6887	8.480	173	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:2:4:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C[5])	C[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(CH3)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(N[6a]C[6a]){3|C<3>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C[5]){1|C<4>,3|N<2>,3|N<3>}	C[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(CH3){1|N<2>,2|C<3>}	132.4970	0.000	1	132.4970	0.000	1	131.6330	1.459	4	128.9872	17.774	6	130.6887	8.480	173	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:2:4:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:S[5a]-2:Si-4:	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]S[5a]Si)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)	C[5a](C[5a,6a]C[5a,6a]N[6a])(S[5a]C[5a])(SiSiCC)	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]S[5a]Si)(N[6a]C[6a]){1|Si<4>,1|C<3>,1|C<4>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C){1|Si<4>,1|C<3>,1|C<4>,1|N<2>,1|S<2>}	C[5a](C[5a,6a]C[5a,6a]N[6a])(S[5a]C[5a])(SiSiCC){1|Si<4>,1|C<3>,1|N<2>}	123.6955	0.701	2	123.6955	0.491	2	123.6955	0.491	2	128.9872	17.774	6	130.6887	8.480	173	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:O-1:	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a,6a]O)(N[6a]C[5a,6a])	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(O)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a,6a]O)(N[6a]C[5a,6a]){4|C<3>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]2){1|N<2>,1|O<1>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(O){1|H<1>,1|N<2>,3|C<3>}	126.1970	0.000	1	126.1970	0.000	1	126.1970	0.000	1	131.7657	4.644	75	130.6887	8.480	173	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]N[6a])(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]N[6a])(H){5|C<3>}	127.4653	0.106	3	127.4653	0.011	3	127.4653	0.011	3	131.7657	4.644	75	130.6887	8.480	173	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:Br-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Br)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H)	C[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(Br)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Br)(N[6a]C[6a]){1|Cl<1>,1|C<4>,1|N<2>,2|H<1>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H){1|Br<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(Br){1|C<4>,2|C<3>}	129.8845	0.148	2	129.8845	0.022	2	129.8845	0.022	2	131.7657	4.644	75	130.6887	8.480	173	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(H){5|C<3>}	129.7040	0.273	2	129.7040	0.074	2	128.6018	4.978	11	131.7657	4.644	75	130.6887	8.480	173	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]C[5])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a]){2|C<3>,3|H<1>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]C[5])(H){1|H<1>,2|C<3>,2|N<3>}	129.2395	0.185	2	129.2395	0.034	2	128.6018	4.978	11	131.7657	4.644	75	130.6887	8.480	173	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,3|H<1>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(H){1|C<4>,2|C<3>}	131.3960	0.000	1	131.3960	0.000	1	128.6018	4.978	11	131.7657	4.644	75	130.6887	8.480	173	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]C)	C[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a]){1|N<2>,2|C<4>,2|H<1>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]C){1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(H){1|H<1>,2|C<3>}	131.5500	0.000	1	131.5500	0.000	1	128.6018	4.978	11	131.7657	4.644	75	130.6887	8.480	173	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H)	C[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a]){1|N<3>,1|O<1>,3|H<1>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(H){1|H<1>,2|C<3>}	129.9500	0.000	1	129.9500	0.000	1	128.6018	4.978	11	131.7657	4.644	75	130.6887	8.480	173	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N[6a])	C[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]S[5a]I)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(N[6a]C[6a]){1|Cl<1>,1|C<3>,1|I<1>,1|N<2>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N[6a]){1|H<1>,1|S<2>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]S[5a]I)(H){2|C<3>}	125.8590	0.000	1	125.8590	0.000	1	128.6018	4.978	11	131.7657	4.644	75	130.6887	8.480	173	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H)	C[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]S[5a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(N[6a]C[6a]){1|N<2>,1|N<3>,2|H<1>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H){1|H<1>,1|S<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]S[5a]H)(H){2|C<3>}	126.1485	0.146	2	126.1485	0.021	2	128.6018	4.978	11	131.7657	4.644	75	130.6887	8.480	173	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]N[5a,6a]S[5a])(C[5a]C[5a]H)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[5a,6a]O)	C[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]S[5a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6a]S[5a])(C[5a]C[5a]H)(N[6a]C[6a]){1|H<1>,1|O<2>,2|C<3>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[5a,6a]O){1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]S[5a]H)(H){1|C<3>,1|N<3>}	125.6810	0.000	1	125.6810	0.000	1	128.6018	4.978	11	131.7657	4.644	75	130.6887	8.480	173	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:I-1:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]I)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]O[5a])(I)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]I)(N[6a]C[6a]){1|C<4>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2){1|H<1>,1|I<1>,1|O<2>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]O[5a])(I){4|C<3>}	131.0260	0.000	1	131.0260	0.000	1	131.0260	0.000	1	131.7657	4.644	75	130.6887	8.480	173	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:Br-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]Br)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H)	C[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a]C[6])(Br)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]Br)(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<2>,1|O<2>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H){1|Br<1>,1|C<3>,1|N<2>,1|N<3>}	C[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a]C[6])(Br){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	132.9760	0.000	1	132.9760	0.000	1	132.9760	0.000	1	131.7657	4.644	75	130.6887	8.480	173	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:1:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(N[6a]C[6a])	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[5a]C[6a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]N[6a])(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(N[6a]C[6a]){5|C<3>}	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[5a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]N[6a])(H){1|H<1>,4|C<3>}	129.7750	0.000	1	129.7750	0.000	1	129.7750	0.000	1	131.7657	4.644	75	130.6887	8.480	173	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:1:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:Br-1:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]Br)(N[6a]C[6a])	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C)	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]C)(Br)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]Br)(N[6a]C[6a]){1|C<3>,3|C<4>}	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C){1|Br<1>,1|H<1>,1|N<2>,2|C<3>}	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]C)(Br){2|C<3>}	132.0080	0.000	1	132.0080	0.000	1	132.0065	0.000	2	131.7657	4.644	75	130.6887	8.480	173	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:1:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:Br-1:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]Br)(N[6a]C[6a])	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]C)(Br)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]Br)(N[6a]C[6a]){1|C<3>,1|H<1>,2|C<4>}	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|N<2>,2|C<3>}	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]C)(Br){2|C<3>}	132.0050	0.000	1	132.0050	0.000	1	132.0065	0.000	2	131.7657	4.644	75	130.6887	8.480	173	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:1:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](N[5a,6a]C[5,6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a])	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[5,6a]C)	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[6a]N[5a])(H)	C[5a,6a](N[5a,6a]C[5,6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a]){2|C<3>,2|C<4>}	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[5,6a]C){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[6a]N[5a])(H){4|C<3>}	133.1330	0.564	3	133.1330	0.318	3	132.8888	0.380	51	131.7657	4.644	75	130.6887	8.480	173	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:1:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](N[5a,6a]C[5,6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a])	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[5,6a]C)	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]C)(H)	C[5a,6a](N[5a,6a]C[5,6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a]){1|C<3>,3|C<4>}	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[5,6a]C){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]C)(H){2|C<3>}	133.1370	0.000	1	133.1370	0.000	1	132.8888	0.380	51	131.7657	4.644	75	130.6887	8.480	173	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:1:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](N[5a,6a]C[5,6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a])	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[5,6a]H)	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[6a]N[5a])(H)	C[5a,6a](N[5a,6a]C[5,6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,2|C<3>}	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[5,6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[6a]N[5a])(H){4|C<3>}	133.2050	0.000	1	133.2050	0.000	1	132.8888	0.380	51	131.7657	4.644	75	130.6887	8.480	173	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:1:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](N[5a,6a]C[6,6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a])	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6,6a]C)	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[6a]N[5a])(H)	C[5a,6a](N[5a,6a]C[6,6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a]){1|C<4>,3|C<3>}	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6,6a]C){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[6a]N[5a])(H){4|C<3>}	131.9940	0.092	4	132.4100	0.421	6	132.8888	0.380	51	131.7657	4.644	75	130.6887	8.480	173	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:1:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](N[5a,6a]C[6,6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a])	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6,6a]C)	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[6a]N[5a])(H)	C[5a,6a](N[5a,6a]C[6,6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a]){2|C<3>,2|C<4>}	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6,6a]C){1|H<1>,1|N<2>,3|C<3>}	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[6a]N[5a])(H){4|C<3>}	133.2420	0.052	2	132.4100	0.421	6	132.8888	0.380	51	131.7657	4.644	75	130.6887	8.480	173	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:1:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](N[5a,6a]C[6,6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a])	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6,6a]C)	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]C)(H)	C[5a,6a](N[5a,6a]C[6,6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a]){2|C<3>,2|C<4>}	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6,6a]C){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]C)(H){2|C<3>}	131.8663	0.251	3	131.8663	0.063	3	132.8888	0.380	51	131.7657	4.644	75	130.6887	8.480	173	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:1:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](N[5a,6a]C[6,6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a])	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6,6a]C[6a])	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[6a]N[5a])(H)	C[5a,6a](N[5a,6a]C[6,6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a]){1|C<4>,3|C<3>}	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6,6a]C[6a]){1|H<1>,1|N<2>,5|C<3>}	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[6a]N[5a])(H){4|C<3>}	132.7640	0.000	1	132.7640	0.000	1	132.8888	0.380	51	131.7657	4.644	75	130.6887	8.480	173	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:1:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](N[5a,6a]C[6,6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a])	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6,6a]C[6a])	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]C)(H)	C[5a,6a](N[5a,6a]C[6,6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a]){2|C<3>,2|C<4>}	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6,6a]C[6a]){1|H<1>,1|N<2>,5|C<3>}	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]C)(H){2|C<3>}	133.4990	0.000	1	133.4990	0.000	1	132.8888	0.380	51	131.7657	4.644	75	130.6887	8.480	173	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:1:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](N[5a,6a]C[6,6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a])	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6,6a]H)	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]C)(H)	C[5a,6a](N[5a,6a]C[6,6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a]){1|C<3>,1|H<1>,2|C<4>}	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6,6a]H){1|H<1>,1|N<2>,3|C<3>}	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]C)(H){2|C<3>}	133.0880	0.000	1	133.0880	0.000	1	132.8888	0.380	51	131.7657	4.644	75	130.6887	8.480	173	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:1:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a])	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]2)	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]C)(H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a]){2|C<3>,2|C<4>}	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]2){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]C)(H){2|C<3>}	132.7600	1.264	2	133.1638	0.510	6	132.8888	0.380	51	131.7657	4.644	75	130.6887	8.480	173	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:1:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a])	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]2)	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]C)(H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a]){2|C<3>,2|C<4>}	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]2){1|N<2>,2|H<1>,4|C<3>}	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]C)(H){2|C<3>}	133.3657	0.393	4	133.1638	0.510	6	132.8888	0.380	51	131.7657	4.644	75	130.6887	8.480	173	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:1:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a])	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C)	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[6a]N[5a])(H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a]){1|C<4>,1|N<3>,2|C<3>}	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C){1|H<1>,2|C<3>,2|N<2>}	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[6a]N[5a])(H){4|C<3>}	132.9670	0.475	2	132.7185	0.194	6	132.8888	0.380	51	131.7657	4.644	75	130.6887	8.480	173	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:1:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a])	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C)	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[6a]N[5a])(H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a]){1|C<4>,3|C<3>}	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C){1|H<1>,1|N<2>,3|C<3>}	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[6a]N[5a])(H){4|C<3>}	132.0500	0.000	1	132.7185	0.194	6	132.8888	0.380	51	131.7657	4.644	75	130.6887	8.480	173	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:1:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a])	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C)	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[6a]N[5a])(H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a]){1|C<4>,3|C<3>}	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C){1|N<2>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[6a]N[5a])(H){4|C<3>}	132.4640	0.000	1	132.7185	0.194	6	132.8888	0.380	51	131.7657	4.644	75	130.6887	8.480	173	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:1:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a])	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C)	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[6a]N[5a])(H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a]){1|Cl<1>,1|C<4>,2|C<3>}	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C){1|N<2>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[6a]N[5a])(H){4|C<3>}	132.8400	0.000	1	132.7185	0.194	6	132.8888	0.380	51	131.7657	4.644	75	130.6887	8.480	173	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:1:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a])	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C)	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[6a]N[5a])(H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a]){2|C<3>,2|C<4>}	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C){1|N<2>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[6a]N[5a])(H){4|C<3>}	133.0230	0.000	1	132.7185	0.194	6	132.8888	0.380	51	131.7657	4.644	75	130.6887	8.480	173	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:1:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a])	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C)	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]C)(H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a]){1|C<3>,1|N<3>,2|C<4>}	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C){1|N<2>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]C)(H){2|C<3>}	133.0830	0.102	4	132.9623	0.096	6	132.8888	0.380	51	131.7657	4.644	75	130.6887	8.480	173	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:1:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a])	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C)	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]C)(H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a]){1|C<3>,3|C<4>}	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C){1|N<2>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]C)(H){2|C<3>}	132.7210	0.522	2	132.9623	0.096	6	132.8888	0.380	51	131.7657	4.644	75	130.6887	8.480	173	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:1:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a])	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C)	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]H)(H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a]){2|C<3>,2|H<1>}	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C){1|H<1>,1|N<2>,3|C<3>}	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]H)(H){2|C<3>}	133.4340	0.000	1	133.4340	0.000	1	132.8888	0.380	51	131.7657	4.644	75	130.6887	8.480	173	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:1:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a])	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]Cl)	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]H)(H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a]){1|Cl<1>,1|C<3>,1|H<1>,1|N<3>}	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]Cl){1|N<2>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]H)(H){2|C<3>}	133.7740	0.000	1	133.7740	0.000	1	132.8888	0.380	51	131.7657	4.644	75	130.6887	8.480	173	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:1:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a])	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[6a]N[5a])(H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a]){1|C<2>,1|H<1>,2|C<3>}	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[6a]N[5a])(H){4|C<3>}	133.5860	0.000	1	133.2867	0.067	3	132.8888	0.380	51	131.7657	4.644	75	130.6887	8.480	173	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:1:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a])	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[6a]N[5a])(H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a]){2|C<3>,2|H<1>}	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[6a]N[5a])(H){4|C<3>}	133.1370	0.023	2	133.2867	0.067	3	132.8888	0.380	51	131.7657	4.644	75	130.6887	8.480	173	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:1:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a])	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]C)(H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,2|H<1>}	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]C)(H){2|C<3>}	133.7010	0.000	1	132.8537	0.640	7	132.8888	0.380	51	131.7657	4.644	75	130.6887	8.480	173	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:1:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a])	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]C)(H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a]){1|C<3>,1|H<1>,2|C<4>}	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]C)(H){2|C<3>}	132.9630	0.000	1	132.8537	0.640	7	132.8888	0.380	51	131.7657	4.644	75	130.6887	8.480	173	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:1:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a])	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]C)(H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,2|C<3>}	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]C)(H){2|C<3>}	132.6624	0.855	5	132.8537	0.640	7	132.8888	0.380	51	131.7657	4.644	75	130.6887	8.480	173	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:1:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a])	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]N[6a]S)	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[6a]N[5a])(H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a]){1|N<2>,1|S<2>,2|C<3>}	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]N[6a]S){1|H<1>,1|N<2>,2|C<3>}	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[6a]N[5a])(H){4|C<3>}	132.9510	0.608	2	132.9510	0.370	2	132.8888	0.380	51	131.7657	4.644	75	130.6887	8.480	173	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:1:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a])	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]N[6a]S)	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]C)(H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<2>,1|S<2>}	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]N[6a]S){1|H<1>,1|N<2>,2|C<3>}	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]C)(H){2|C<3>}	133.0825	0.472	2	133.0825	0.222	2	132.8888	0.380	51	131.7657	4.644	75	130.6887	8.480	173	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:1:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:I-1:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]I)(N[6a]C[6a])	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]C)(I)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]I)(N[6a]C[6a]){1|C<4>,1|H<1>,2|C<3>}	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H){1|H<1>,1|I<1>,1|N<2>,2|C<3>}	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]C)(I){2|C<3>}	132.1635	0.629	2	132.1635	0.395	2	132.1635	0.395	2	131.7657	4.644	75	130.6887	8.480	173	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:C[5a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]C[5a]S[5a])(N[6a]C[6a,6a])	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])	C[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]S[5a])(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]C[5a]S[5a])(N[6a]C[6a,6a]){1|C<4>,1|S<2>,4|C<3>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a]){1|N<2>,1|O<1>,1|S<2>,2|C<3>,2|N<3>}	C[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]S[5a])(S[5a]C[5a]){1|H<1>,1|N<3>,4|C<3>}	122.0770	0.000	1	122.0770	0.000	1	122.0770	0.000	1	130.0159	7.862	17	130.6887	8.480	173	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-2:	C[5a,6a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[5a,6a]C)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]N[5a,6a]C[6a])(CN)	C[5a,6a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[5a,6a]C)(N[6a]C[6a]){1|H<1>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H){1|C<2>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]N[5a,6a]C[6a])(CN){1|H<1>,1|N<2>,3|C<3>}	131.3410	0.000	1	131.3410	0.000	1	131.3410	0.000	1	130.0159	7.862	17	130.6887	8.480	173	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]O)	C[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CN)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(N[6a]C[6a]){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]O){1|C<2>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CN){3|C<3>}	128.0845	1.195	4	128.0845	1.429	4	128.0845	1.429	4	130.0159	7.862	17	130.6887	8.480	173	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:S-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H)	C[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(SC[6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(N[6a]C[6a]){1|C<3>,1|N<2>,3|H<1>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H){1|N<3>,1|S<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(SC[6a]){1|H<1>,2|C<3>}	130.1070	0.000	1	130.1070	0.000	1	130.1070	0.000	1	130.0159	7.862	17	130.6887	8.480	173	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:N-2:	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]N[5a]N)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a]Pt)(NC[6])	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]N[5a]N)(N[6a]C[6a]){1|Pt<4>,1|N<2>,2|C<3>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2){1|N<3>,2|N<2>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a]Pt)(NC[6]){1|C<3>,2|N<2>}	128.8010	0.945	2	128.8010	0.892	2	128.8010	0.892	2	130.0159	7.862	17	130.6887	8.480	173	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:2:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(N[6a]C[6a])	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C)	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]H)(CN)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(N[6a]C[6a]){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>}	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C){1|C<2>,1|H<1>,1|N<2>,2|C<3>}	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]H)(CN){2|C<3>}	133.5080	0.000	1	133.5080	0.000	1	132.1008	0.454	8	130.0159	7.862	17	130.6887	8.480	173	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:2:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(N[6a]C[6a])	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C)	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]N)(CN)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(N[6a]C[6a]){1|C<3>,1|N<3>,2|C<4>}	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C){1|C<2>,1|H<1>,1|N<2>,2|C<3>}	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]N)(CN){2|C<3>}	131.9975	0.042	2	131.9975	0.002	2	132.1008	0.454	8	130.0159	7.862	17	130.6887	8.480	173	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:2:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(N[6a]C[6a])	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C)	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]S)(CN)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(N[6a]C[6a]){1|C<4>,1|S<2>,2|C<3>}	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C){1|C<2>,1|H<1>,1|N<2>,2|C<3>}	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]S)(CN){2|C<3>}	131.3520	0.000	1	131.3520	0.000	1	132.1008	0.454	8	130.0159	7.862	17	130.6887	8.480	173	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:2:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(N[6a]C[6a])	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]H)(CN)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(N[6a]C[6a]){1|C<3>,1|C<4>,2|H<1>}	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H){1|C<2>,1|N<2>,3|C<3>}	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]H)(CN){2|C<3>}	132.4000	0.000	1	131.8945	0.511	2	132.1008	0.454	8	130.0159	7.862	17	130.6887	8.480	173	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:2:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(N[6a]C[6a])	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]H)(CN)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(N[6a]C[6a]){2|C<3>,2|H<1>}	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H){1|C<2>,1|H<1>,1|N<2>,2|C<3>}	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]H)(CN){2|C<3>}	131.3890	0.000	1	131.8945	0.511	2	132.1008	0.454	8	130.0159	7.862	17	130.6887	8.480	173	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:2:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(N[6a]C[6a])	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]S)(CN)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(N[6a]C[6a]){1|H<1>,1|S<2>,2|C<3>}	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H){1|C<2>,1|H<1>,1|N<2>,2|C<3>}	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]S)(CN){2|C<3>}	131.9940	0.000	1	131.9940	0.000	1	132.1008	0.454	8	130.0159	7.862	17	130.6887	8.480	173	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:2:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(N[6a]C[6a])	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]N)	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]C)(CN)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(N[6a]C[6a]){1|C<3>,1|N<3>,2|C<2>}	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]N){1|N<2>,2|C<2>,2|C<3>}	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]C)(CN){2|C<3>}	132.1680	0.000	1	132.1680	0.000	1	132.1008	0.454	8	130.0159	7.862	17	130.6887	8.480	173	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]N[6])	C[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]C)(COO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,2|H<1>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]N[6]){1|N<3>,2|C<4>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]C)(COO){1|H<1>,2|C<3>}	131.4080	0.061	2	131.4080	0.004	2	131.4080	0.004	2	129.7927	4.187	11	130.6887	8.480	173	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C[6a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]N)	C[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C[6a])(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]N){1|N<3>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){3|H<1>,4|C<3>}	129.9340	0.000	1	129.9340	0.000	1	129.9340	0.000	1	129.7927	4.187	11	130.6887	8.480	173	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:N-3:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]N)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]C)	C[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]S[5a]H)(NOO)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]N)(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]C){1|C<4>,1|N<3>,1|S<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]S[5a]H)(NOO){2|C<3>}	126.8670	0.000	1	126.8670	0.000	1	126.8670	0.000	1	129.7927	4.187	11	130.6887	8.480	173	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]N[6a])(C[5a]N[5a,6]C[6a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)	C[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6]N[6a])(C[5a]N[5a,6]C[6a])(N[6a]C[6a]){1|B<4>,1|C<4>,1|N<2>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]2){1|N<3>,2|F<1>,2|H<1>,2|N<2>,3|C<3>}	129.1760	0.000	1	129.1760	0.000	1	129.1760	0.000	1	129.7927	4.187	11	130.6887	8.480	173	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C-3:	C[5a,6a](C[5a,6a]N[5a,6a]C[5a])(C[5a]N[5a]C)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[5a,6a]C[5a])	C[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a]Ni)(CC[5a]C[6a])	C[5a,6a](C[5a,6a]N[5a,6a]C[5a])(C[5a]N[5a]C)(N[6a]C[6a]){1|Ni<4>,4|C<3>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[5a,6a]C[5a]){1|S<2>,2|N<3>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a]Ni)(CC[5a]C[6a]){1|N<3>,2|C<3>}	127.6090	0.267	2	127.6090	0.071	2	127.6090	0.071	2	129.7927	4.187	11	130.6887	8.480	173	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a,6a]C[6a])(N[6a]C[6a])	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]N[6a])(C[6a]C[6a]2)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a,6a]C[6a])(N[6a]C[6a]){1|H<1>,6|C<3>}	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]H){5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]N[6a])(C[6a]C[6a]2){3|H<1>,6|C<3>}	127.8180	0.000	1	127.8180	0.000	1	127.8180	0.000	1	129.7927	4.187	11	130.6887	8.480	173	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(N[6a]C[6a])	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]C)(CHO)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(N[6a]C[6a]){1|C<4>,1|H<1>,2|C<3>}	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]C)(CHO){2|C<3>}	132.0810	0.000	1	132.0810	0.000	1	132.0810	0.000	1	129.7927	4.187	11	130.6887	8.480	173	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(N[6a]C[6a])	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]2)	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(N[6a]C[6a]){1|C<4>,5|C<3>}	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]2){1|H<1>,1|N<2>,5|C<3>}	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|Cl<1>,1|H<1>,6|C<3>}	132.0010	0.000	1	132.0010	0.000	1	131.9050	0.018	2	129.7927	4.187	11	130.6887	8.480	173	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(N[6a]C[6a])	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]2)	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(N[6a]C[6a]){2|C<4>,4|C<3>}	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]2){1|H<1>,1|N<2>,5|C<3>}	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|Cl<1>,1|H<1>,4|C<3>}	131.8090	0.000	1	131.8090	0.000	1	131.9050	0.018	2	129.7927	4.187	11	130.6887	8.480	173	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:3:4:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](N[5a,6a]C[5,6a]N[5a])(C[5a]C[5a]S)(N[6a]C[6a])	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[5,6a]C)	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]N)(SC[6a]OO)	C[5a,6a](N[5a,6a]C[5,6a]N[5a])(C[5a]C[5a]S)(N[6a]C[6a]){1|C<3>,1|N<3>,2|C<4>}	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[5,6a]C){1|C<4>,1|N<2>,1|S<4>,2|C<3>}	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]N)(SC[6a]OO){2|C<3>}	132.8085	1.221	2	132.8085	1.491	2	132.8085	1.491	2	132.8085	1.491	2	130.6887	8.480	173	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:4:2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5]-4:S[5a]-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]S[5a]C[5])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H)	C[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]S[5a]C[5])(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H){1|C<4>,1|S<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(S[5a]C[5a]){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	125.3790	0.000	1	125.3790	0.000	1	125.3585	1.321	6	125.3585	1.321	6	130.6887	8.480	173	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:4:2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5]-4:S[5a]-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]S[5a]C[5])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]N)	C[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]S[5a]C[5])(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]N){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(S[5a]C[5a]){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	125.2390	1.051	2	125.2390	1.104	2	125.3585	1.321	6	125.3585	1.321	6	130.6887	8.480	173	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:4:2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5]-4:S[5a]-2:	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]S[5a]C[5])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]2Fe)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]S[5a]C[5])(N[6a]C[6a]){1|Fe<10>,1|C<3>,1|H<1>,3|C<4>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|S<2>}	C[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]2Fe)(S[5a]C[5a]){1|C<3>,1|N<2>,2|H<1>,3|C<4>}	124.5715	1.009	2	124.5715	1.018	2	125.3585	1.321	6	125.3585	1.321	6	130.6887	8.480	173	128.6827	8.317	443
727	371	727	0:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a]	3:3:2:	3:3:	3:4:2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5]-4:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]S[5a]C[5])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H)	C[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(S[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]S[5a]C[5])(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|H<1>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H){1|C<3>,1|C<4>,1|N<2>,1|S<2>}	C[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(S[5a]N[5a]){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	127.1510	0.000	1	127.1510	0.000	1	125.3585	1.321	6	125.3585	1.321	6	130.6887	8.480	173	128.6827	8.317	443
727	371	727	6:SP2_SP2_SP2	C[5,6,6a]	N[6a]	C[5,6,6a]	3:4:2:	3:3:	3:4:2:	C[5,6,6a]-3:C[5,5,6]-4:N[6a]-2:	C[5,6,6a]-3:C[5,6,6a]-3:	C[5,6,6a]-3:C[5,5,6]-4:N[6a]-2:	C[5,6,6a](C[5,6,6a]C[5,5,6]N[6a])(C[5,5,6]C[5,5]C[5,6]C)(N[6a]C[5,6,6a])	N[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])2	C[5,6,6a](C[5,6,6a]C[5,5,6]N[6a])(C[5,5,6]C[5,5]C[5,6]H)(N[6a]C[5,6,6a])	C[5,6,6a](C[5,6,6a]C[5,5,6]N[6a])(C[5,5,6]C[5,5]C[5,6]C)(N[6a]C[5,6,6a]){1|C<3>,3|H<1>,4|C<4>}	N[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])2{1|H<1>,1|N<2>,7|C<4>}	C[5,6,6a](C[5,6,6a]C[5,5,6]N[6a])(C[5,5,6]C[5,5]C[5,6]H)(N[6a]C[5,6,6a]){1|C<3>,2|H<1>,5|C<4>}	124.2240	0.000	1	124.1265	0.019	2	124.1743	0.013	4	124.0698	0.108	11	124.1772	0.261	26	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6,6a]	N[6a]	C[5,6,6a]	3:4:2:	3:3:	3:4:2:	C[5,6,6a]-3:C[5,5,6]-4:N[6a]-2:	C[5,6,6a]-3:C[5,6,6a]-3:	C[5,6,6a]-3:C[5,5,6]-4:N[6a]-2:	C[5,6,6a](C[5,6,6a]C[5,5,6]N[6a])(C[5,5,6]C[5,5]C[5,6]C)(N[6a]C[5,6,6a])	N[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])2	C[5,6,6a](C[5,6,6a]C[5,5,6]N[6a])(C[5,5,6]C[5,5]C[5,6]H)(N[6a]C[5,6,6a])	C[5,6,6a](C[5,6,6a]C[5,5,6]N[6a])(C[5,5,6]C[5,5]C[5,6]C)(N[6a]C[5,6,6a]){1|C<3>,3|H<1>,4|C<4>}	N[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])2{1|N<2>,8|C<4>}	C[5,6,6a](C[5,6,6a]C[5,5,6]N[6a])(C[5,5,6]C[5,5]C[5,6]H)(N[6a]C[5,6,6a]){1|C<3>,2|H<1>,5|C<4>}	124.0290	0.000	1	124.1265	0.019	2	124.1743	0.013	4	124.0698	0.108	11	124.1772	0.261	26	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6,6a]	N[6a]	C[5,6,6a]	3:4:2:	3:3:	3:4:2:	C[5,6,6a]-3:C[5,5,6]-4:N[6a]-2:	C[5,6,6a]-3:C[5,6,6a]-3:	C[5,6,6a]-3:C[5,5,6]-4:N[6a]-2:	C[5,6,6a](C[5,6,6a]C[5,5,6]N[6a])(C[5,5,6]C[5,5]C[5,6]H)(N[6a]C[5,6,6a])	N[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])2	C[5,6,6a](C[5,6,6a]C[5,5,6]N[6a])(C[5,5,6]C[5,5]C[5,6]C)(N[6a]C[5,6,6a])	C[5,6,6a](C[5,6,6a]C[5,5,6]N[6a])(C[5,5,6]C[5,5]C[5,6]H)(N[6a]C[5,6,6a]){1|C<3>,2|H<1>,5|C<4>}	N[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])2{1|H<1>,1|N<2>,7|C<4>}	C[5,6,6a](C[5,6,6a]C[5,5,6]N[6a])(C[5,5,6]C[5,5]C[5,6]C)(N[6a]C[5,6,6a]){1|C<3>,3|H<1>,4|C<4>}	124.2950	0.000	1	124.2220	0.011	2	124.1743	0.013	4	124.0698	0.108	11	124.1772	0.261	26	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6,6a]	N[6a]	C[5,6,6a]	3:4:2:	3:3:	3:4:2:	C[5,6,6a]-3:C[5,5,6]-4:N[6a]-2:	C[5,6,6a]-3:C[5,6,6a]-3:	C[5,6,6a]-3:C[5,5,6]-4:N[6a]-2:	C[5,6,6a](C[5,6,6a]C[5,5,6]N[6a])(C[5,5,6]C[5,5]C[5,6]H)(N[6a]C[5,6,6a])	N[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])2	C[5,6,6a](C[5,6,6a]C[5,5,6]N[6a])(C[5,5,6]C[5,5]C[5,6]C)(N[6a]C[5,6,6a])	C[5,6,6a](C[5,6,6a]C[5,5,6]N[6a])(C[5,5,6]C[5,5]C[5,6]H)(N[6a]C[5,6,6a]){1|C<3>,2|H<1>,5|C<4>}	N[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])2{1|N<2>,2|H<1>,6|C<4>}	C[5,6,6a](C[5,6,6a]C[5,5,6]N[6a])(C[5,5,6]C[5,5]C[5,6]C)(N[6a]C[5,6,6a]){1|C<3>,3|H<1>,4|C<4>}	124.1490	0.000	1	124.2220	0.011	2	124.1743	0.013	4	124.0698	0.108	11	124.1772	0.261	26	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6,6a]	N[6a]	C[5,6,6a]	3:4:2:	3:3:	3:4:2:	C[5,6,6a]-3:C[5,5,6]-4:N[6a]-2:	C[5,6,6a]-3:C[6a,6a]-3:	C[5,6,6a]-3:C[5,5,6]-4:N[6a]-2:	C[5,6,6a](C[5,6,6a]C[5,5,6]N[6a])(C[5,5,6]C[5,5]C[5,6]C)(N[6a]C[6a,6a])	N[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a,6a]C[6a,6a]C[6a])	C[5,6,6a](C[5,6,6a]C[5,5,6]N[6a])(C[5,5,6]C[5,5]C[5,6]H)(N[6a]C[6a,6a])	C[5,6,6a](C[5,6,6a]C[5,5,6]N[6a])(C[5,5,6]C[5,5]C[5,6]C)(N[6a]C[6a,6a]){2|C<3>,3|C<4>,3|H<1>}	N[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,1|N<2>,2|C<3>,4|C<4>}	C[5,6,6a](C[5,6,6a]C[5,5,6]N[6a])(C[5,5,6]C[5,5]C[5,6]H)(N[6a]C[6a,6a]){2|C<3>,2|H<1>,4|C<4>}	124.3525	0.158	2	124.3525	0.025	2	124.2260	0.039	5	124.0698	0.108	11	124.1772	0.261	26	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6,6a]	N[6a]	C[5,6,6a]	3:4:2:	3:3:	3:4:2:	C[5,6,6a]-3:C[5,5,6]-4:N[6a]-2:	C[5,6,6a]-3:C[6a,6a]-3:	C[5,6,6a]-3:C[5,5,6]-4:N[6a]-2:	C[5,6,6a](C[5,6,6a]C[5,5,6]N[6a])(C[5,5,6]C[5,5]C[5,6]H)(N[6a]C[6a,6a])	N[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a,6a]C[6a,6a]C[6a])	C[5,6,6a](C[5,6,6a]C[5,5,6]N[6a])(C[5,5,6]C[5,5]C[5,6]C)(N[6a]C[6a,6a])	C[5,6,6a](C[5,6,6a]C[5,5,6]N[6a])(C[5,5,6]C[5,5]C[5,6]H)(N[6a]C[6a,6a]){2|C<3>,2|H<1>,4|C<4>}	N[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a,6a]C[6a,6a]C[6a]){1|N<2>,2|C<3>,2|H<1>,3|C<4>}	C[5,6,6a](C[5,6,6a]C[5,5,6]N[6a])(C[5,5,6]C[5,5]C[5,6]C)(N[6a]C[6a,6a]){2|C<3>,3|C<4>,3|H<1>}	124.2515	0.066	2	124.2515	0.004	2	124.2260	0.039	5	124.0698	0.108	11	124.1772	0.261	26	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6,6a]	N[6a]	C[5,6,6a]	3:4:2:	3:3:	3:4:2:	C[5,6,6a]-3:C[5,5,6]-4:N[6a]-2:	C[5,6,6a]-3:C[6a,6a]-3:	C[5,6,6a]-3:C[5,5,6]-4:N[6a]-2:	C[5,6,6a](C[5,6,6a]C[5,5,6]N[6a])(C[5,5,6]C[5,5]C[5,6]H)(N[6a]C[6a,6a])	N[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a,6a]C[6a,6a]C[6a])	C[5,6,6a](C[5,6,6a]C[5,5,6]N[6a])(C[5,5,6]C[5,5]C[5,6]H)(N[6a]C[6a,6a])	C[5,6,6a](C[5,6,6a]C[5,5,6]N[6a])(C[5,5,6]C[5,5]C[5,6]H)(N[6a]C[6a,6a]){1|C<4>,3|C<3>,3|H<1>}	N[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a,6a]C[6a,6a]C[6a]){1|N<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,6,6a](C[5,6,6a]C[5,5,6]N[6a])(C[5,5,6]C[5,5]C[5,6]H)(N[6a]C[6a,6a]){1|C<4>,3|C<3>,3|H<1>}	123.9220	0.000	1	123.9220	0.000	1	124.2260	0.039	5	124.0698	0.108	11	124.1772	0.261	26	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6,6a]	N[6a]	C[5,6,6a]	3:4:2:	3:3:	3:4:2:	C[5,6,6a]-3:C[5,5,6]-4:N[6a]-2:	C[5,6,6a]-3:C[6a]-3:	C[5,6,6a]-3:C[5,5,6]-4:N[6a]-2:	C[5,6,6a](C[5,6,6a]C[5,5,6]N[6a])(C[5,5,6]C[5,5]C[5,6]C)(N[6a]C[6a])	N[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)	C[5,6,6a](C[5,6,6a]C[5,5,6]N[6a])(C[5,5,6]C[5,5]C[5,6]H)(N[6a]C[6a])	C[5,6,6a](C[5,6,6a]C[5,5,6]N[6a])(C[5,5,6]C[5,5]C[5,6]C)(N[6a]C[6a]){1|C<3>,3|C<4>,4|H<1>}	N[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H){1|H<1>,1|N<2>,4|C<4>}	C[5,6,6a](C[5,6,6a]C[5,5,6]N[6a])(C[5,5,6]C[5,5]C[5,6]H)(N[6a]C[6a]){1|C<3>,3|H<1>,4|C<4>}	123.4180	0.000	1	123.4180	0.000	1	123.4705	0.006	2	124.0698	0.108	11	124.1772	0.261	26	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6,6a]	N[6a]	C[5,6,6a]	3:4:2:	3:3:	3:4:2:	C[5,6,6a]-3:C[5,5,6]-4:N[6a]-2:	C[5,6,6a]-3:C[6a]-3:	C[5,6,6a]-3:C[5,5,6]-4:N[6a]-2:	C[5,6,6a](C[5,6,6a]C[5,5,6]N[6a])(C[5,5,6]C[5,5]C[5,6]H)(N[6a]C[6a])	N[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)	C[5,6,6a](C[5,6,6a]C[5,5,6]N[6a])(C[5,5,6]C[5,5]C[5,6]C)(N[6a]C[6a])	C[5,6,6a](C[5,6,6a]C[5,5,6]N[6a])(C[5,5,6]C[5,5]C[5,6]H)(N[6a]C[6a]){1|C<3>,3|H<1>,4|C<4>}	N[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<4>}	C[5,6,6a](C[5,6,6a]C[5,5,6]N[6a])(C[5,5,6]C[5,5]C[5,6]C)(N[6a]C[6a]){1|C<3>,3|C<4>,4|H<1>}	123.5230	0.000	1	123.5230	0.000	1	123.4705	0.006	2	124.0698	0.108	11	124.1772	0.261	26	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6,6a]	N[6a]	C[5,6,6a]	3:4:2:	3:3:	3:4:3:	C[5,6,6a]-3:C[5,5,6]-4:N[6a]-2:	C[5,6,6a]-3:C[6a]-3:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]C)(N[6a]C[6a])	N[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]N[6a]N)	C[5,6,6a](C[5,6,6a]C[5,5,6]N[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]N[6a])	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]C)(N[6a]C[6a]){1|C<3>,1|N<2>,1|N<3>,3|C<4>,3|H<1>}	N[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]N[6a]N){1|C<3>,4|C<4>}	C[5,6,6a](C[5,6,6a]C[5,5,6]N[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]N[6a]){2|H<1>,3|C<3>,4|C<4>}	125.2810	0.000	1	125.2810	0.000	1	125.2810	0.000	1	125.2810	0.000	1	124.1772	0.261	26	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6,6a]	N[6a]	C[5,6,6a]	4:3:2:	3:3:	4:3:2:	C[5,5,6]-4:C[5,6,6a]-3:N[6a]-2:	C[5,6,6a]-3:C[6a,6a]-3:	C[5,5,6]-4:C[5,6,6a]-3:N[6a]-2:	C[5,6,6a](C[5,5,6]C[5,6,6]C[5,5]Cl)(C[5,6,6a]C[5,5,6]N[6a])(N[6a]C[6a,6a])	N[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a,6a]C[6a,6a]C[6a])	C[5,6,6a](C[5,5,6]C[5,6,6]C[5,5]Cl)(C[5,6,6a]C[5,5,6]N[6a])(N[6a]C[6a,6a])	C[5,6,6a](C[5,5,6]C[5,6,6]C[5,5]Cl)(C[5,6,6a]C[5,5,6]N[6a])(N[6a]C[6a,6a]){1|Cl<1>,1|H<1>,2|C<3>,2|C<4>,2|O<2>}	N[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a,6a]C[6a,6a]C[6a]){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>,3|C<4>}	C[5,6,6a](C[5,5,6]C[5,6,6]C[5,5]Cl)(C[5,6,6a]C[5,5,6]N[6a])(N[6a]C[6a,6a]){1|Cl<1>,1|H<1>,2|C<3>,2|C<4>,2|O<2>}	124.3902	0.671	8	124.3902	0.450	8	124.1828	0.316	14	124.1828	0.316	14	124.1772	0.261	26	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6,6a]	N[6a]	C[5,6,6a]	4:3:2:	3:3:	4:3:2:	C[5,5,6]-4:C[5,6,6a]-3:N[6a]-2:	C[5,6,6a]-3:C[6a,6a]-3:	C[5,5,6]-4:C[5,6,6a]-3:N[6a]-2:	C[5,6,6a](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6,6a]C[5,5,6]N[6a])(N[6a]C[6a,6a])	N[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a,6a]C[6a,6a]C[6a])	C[5,6,6a](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6,6a]C[5,5,6]N[6a])(N[6a]C[6a,6a])	C[5,6,6a](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6,6a]C[5,5,6]N[6a])(N[6a]C[6a,6a]){3|H<1>,4|C<3>}	N[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a,6a]C[6a,6a]C[6a]){1|N<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,6,6a](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6,6a]C[5,5,6]N[6a])(N[6a]C[6a,6a]){3|H<1>,4|C<3>}	123.9062	0.172	6	123.9062	0.029	6	124.1828	0.316	14	124.1828	0.316	14	124.1772	0.261	26	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a,6a]	3:3:2:	3:3:	3:3:3:	C[5,6a,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(N[6a]C[6a])	N[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(N[6a]C[6a]){2|H<1>,5|C<3>}	N[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[5,6a,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[6a,6a]C[6a]2){1|H<1>,2|O<2>,4|C<3>}	124.0170	0.000	1	124.0170	0.000	1	124.0170	0.000	1	124.2120	0.076	2	124.2120	0.076	2	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a,6a]	3:3:2:	3:3:	3:3:3:	C[5,6a,6a]-3:C[5]-3:N[6a]-2:	C[5,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[6a]C[5])(N[6a]C[6a,6a])	N[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a,6a]C[6a,6a]C[6a])	C[5,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5,6a]N[6a]C[5])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[6a]C[5])(N[6a]C[6a,6a]){1|S<4>,6|C<3>}	N[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,6|C<3>}	C[5,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5,6a]N[6a]C[5]){1|S<4>,2|H<1>,4|C<3>}	124.4070	0.000	1	124.4070	0.000	1	124.4070	0.000	1	124.2120	0.076	2	124.2120	0.076	2	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:2:2:	3:3:	3:2:2:	C[5,6a]-3:N[6a]-2:N[5]-2:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:N[6a]-2:N[5]-2:	C[5,6a](C[5,6a]N[6a]N[5])(N[6a]C[6a])(N[5]Se[5])	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)	C[5,6a](C[5,6a]N[6a]N[5])(N[6a]C[6a])(N[5]Se[5])	C[5,6a](C[5,6a]N[6a]N[5])(N[6a]C[6a])(N[5]Se[5]){1|C<2>,1|C<3>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C){1|Se<2>,1|C<2>,2|N<2>}	C[5,6a](C[5,6a]N[6a]N[5])(N[6a]C[6a])(N[5]Se[5]){1|C<2>,1|C<3>}	122.1265	0.086	2	122.1265	0.007	2	122.1265	0.007	2	122.7044	2.792	37	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:2:2:	3:3:	3:2:2:	C[5,6a]-3:N[6a]-2:N[5]-2:	C[5a,6a]-3:C[5,6a]-3:	C[5,6a]-3:N[6a]-2:S[5]-2:	C[5,6a](C[5,6a]N[6a]S[5])(N[6a]C[5a,6a])(N[5]S[5])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]N[5])	C[5,6a](C[5,6a]N[6a]N[5])(N[6a]C[5a,6a])(S[5]S[5])	C[5,6a](C[5,6a]N[6a]S[5])(N[6a]C[5a,6a])(N[5]S[5]){1|C<3>,1|N<2>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]N[5]){2|N<2>,3|S<2>}	C[5,6a](C[5,6a]N[6a]N[5])(N[6a]C[5a,6a])(S[5]S[5]){1|C<3>,1|N<2>}	121.8540	0.000	1	121.8540	0.000	1	121.8540	0.000	1	122.7044	2.792	37	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:2:2:	3:3:	3:2:2:	C[5,6a]-3:N[6a]-2:S[5]-2:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:N[6a]-2:S[5]-2:	C[5,6a](C[5,6a]N[6a]S[5])(N[6a]C[6a])(S[5]C[5])	N[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]C)	C[5,6a](C[5,6a]N[6a]S[5])(N[6a]C[6a])(S[5]C[5])	C[5,6a](C[5,6a]N[6a]S[5])(N[6a]C[6a])(S[5]C[5]){1|C<2>,1|C<3>,1|S<1>}	N[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]C){1|C<2>,1|C<3>,1|N<2>,1|S<2>}	C[5,6a](C[5,6a]N[6a]S[5])(N[6a]C[6a])(S[5]C[5]){1|C<2>,1|C<3>,1|S<1>}	122.4230	0.328	2	122.4230	0.108	2	121.9281	0.962	20	122.7044	2.792	37	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:2:2:	3:3:	3:2:2:	C[5,6a]-3:N[6a]-2:S[5]-2:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:N[6a]-2:S[5]-2:	C[5,6a](C[5,6a]N[6a]S[5])(N[6a]C[6a])(S[5]C[5])	N[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[6a]S[5])(N[6a]C[6a])(S[5]C[5])	C[5,6a](C[5,6a]N[6a]S[5])(N[6a]C[6a])(S[5]C[5]){1|H<1>,2|C<3>}	N[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[5,6a](C[5,6a]N[6a]S[5])(N[6a]C[6a])(S[5]C[5]){1|H<1>,2|C<3>}	120.9278	1.167	6	120.9278	1.361	6	121.9281	0.962	20	122.7044	2.792	37	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:2:2:	3:3:	3:2:2:	C[5,6a]-3:N[6a]-2:S[5]-2:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:N[6a]-2:S[5]-2:	C[5,6a](C[5,6a]N[6a]S[5])(N[6a]C[6a])(S[5]N[5])	N[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[6a]S[5])(N[6a]C[6a])(S[5]N[5])	C[5,6a](C[5,6a]N[6a]S[5])(N[6a]C[6a])(S[5]N[5]){1|C<3>,1|H<1>}	N[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H){1|H<1>,1|S<2>,2|N<2>}	C[5,6a](C[5,6a]N[6a]S[5])(N[6a]C[6a])(S[5]N[5]){1|C<3>,1|H<1>}	122.3457	0.502	12	122.3457	0.252	12	121.9281	0.962	20	122.7044	2.792	37	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:2:2:	3:3:	3:2:2:	C[5,6a]-3:N[6a]-2:S[5]-2:	C[5a,6a]-3:C[5,6a]-3:	C[5,6a]-3:N[6a]-2:N[5]-2:	C[5,6a](C[5,6a]N[6a]N[5])(N[6a]C[5a,6a])(S[5]S[5])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]S[5])	C[5,6a](C[5,6a]N[6a]S[5])(N[6a]C[5a,6a])(N[5]S[5])	C[5,6a](C[5,6a]N[6a]N[5])(N[6a]C[5a,6a])(S[5]S[5]){1|C<3>,1|N<2>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]S[5]){2|S<2>,3|N<2>}	C[5,6a](C[5,6a]N[6a]S[5])(N[6a]C[5a,6a])(N[5]S[5]){1|C<3>,1|N<2>}	124.9680	0.000	1	124.9680	0.000	1	124.9680	0.000	1	122.7044	2.792	37	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:2:2:	3:3:	3:2:2:	C[5,6a]-3:N[6a]-2:S[5]-2:	C[5a,6a]-3:C[5,6a]-3:	C[5,6a]-3:N[6a]-2:S[5]-2:	C[5,6a](C[5,6a]N[6a]S[5])(N[6a]C[5a,6a])(S[5]N[5])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]S[5])	C[5,6a](C[5,6a]N[6a]S[5])(N[6a]C[5a,6a])(S[5]N[5])	C[5,6a](C[5,6a]N[6a]S[5])(N[6a]C[5a,6a])(S[5]N[5]){1|C<3>,1|N<2>,1|S<4>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]S[5]){1|N<3>,2|N<2>,2|S<2>}	C[5,6a](C[5,6a]N[6a]S[5])(N[6a]C[5a,6a])(S[5]N[5]){1|C<3>,1|N<2>,1|S<4>}	123.7895	0.197	4	123.8638	0.041	6	123.8638	0.041	6	122.7044	2.792	37	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:2:2:	3:3:	3:2:2:	C[5,6a]-3:N[6a]-2:S[5]-2:	C[5a,6a]-3:C[5,6a]-3:	C[5,6a]-3:N[6a]-2:S[5]-2:	C[5,6a](C[5,6a]N[6a]S[5])(N[6a]C[5a,6a])(S[5]N[5])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]S[5])	C[5,6a](C[5,6a]N[6a]S[5])(N[6a]C[5a,6a])(S[5]N[5])	C[5,6a](C[5,6a]N[6a]S[5])(N[6a]C[5a,6a])(S[5]N[5]){1|C<3>,1|N<2>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]S[5]){2|S<2>,3|N<2>}	C[5,6a](C[5,6a]N[6a]S[5])(N[6a]C[5a,6a])(S[5]N[5]){1|C<3>,1|N<2>}	124.0125	0.153	2	123.8638	0.041	6	123.8638	0.041	6	122.7044	2.792	37	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:2:2:	3:3:	3:2:2:	C[5,6a]-3:N[6a]-2:S[5]-2:	C[5a,6a]-3:C[5,6a]-3:	C[5,6a]-3:S[6a]-2:N[5]-2:	C[5,6a](C[5,6a]S[6a]N[5])(N[6a]C[5a,6a])(S[5]S[5])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]S[5])	C[5,6a](C[5,6a]N[6a]S[5])(S[6a]C[5a,6a])(N[5]S[5])	C[5,6a](C[5,6a]S[6a]N[5])(N[6a]C[5a,6a])(S[5]S[5]){1|C<3>,1|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]S[5]){1|C<3>,1|C<4>,2|N<2>,2|S<2>}	C[5,6a](C[5,6a]N[6a]S[5])(S[6a]C[5a,6a])(N[5]S[5]){2|C<3>}	128.9060	0.000	1	128.9060	0.000	1	128.9060	0.000	1	122.7044	2.792	37	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:2:2:	3:3:	3:2:2:	C[5,6a]-3:N[6a]-2:S[5]-2:	C[6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:N[6a]-2:S[5]-2:	C[5,6a](C[5,6a]N[6a]S[5])(N[6a]C[6a,6a])(S[5]C[5])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]S[5])	C[5,6a](C[5,6a]N[6a]S[5])(N[6a]C[6a,6a])(S[5]C[5])	C[5,6a](C[5,6a]N[6a]S[5])(N[6a]C[6a,6a])(S[5]C[5]){3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]S[5]){1|H<1>,1|N<2>,1|S<2>,3|C<3>}	C[5,6a](C[5,6a]N[6a]S[5])(N[6a]C[6a,6a])(S[5]C[5]){3|C<3>}	123.3752	2.003	4	123.3752	4.014	4	123.3752	4.014	4	122.7044	2.792	37	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:2:2:	3:3:	3:2:2:	C[5,6a]-3:N[6a]-2:Se[5]-2:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:N[6a]-2:Se[5]-2:	C[5,6a](C[5,6a]N[6a]Se[5])(N[6a]C[6a])(Se[5]C[5])	N[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[6a]Se[5])(N[6a]C[6a])(Se[5]C[5])	C[5,6a](C[5,6a]N[6a]Se[5])(N[6a]C[6a])(Se[5]C[5]){1|H<1>,2|C<3>}	N[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]H){1|Se<2>,1|C<3>,1|H<1>,1|N<2>}	C[5,6a](C[5,6a]N[6a]Se[5])(N[6a]C[6a])(Se[5]C[5]){1|H<1>,2|C<3>}	122.4185	1.712	2	122.4185	2.931	2	122.4185	2.931	2	122.7044	2.792	37	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:2:2:	3:3:	3:3:2:	C[5,6a]-3:N[6a]-2:N[5]-2:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]Se[5])	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]H)(N[5]Se[5])	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]Se[5]){1|C<3>,2|H<1>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H){1|Se<2>,1|C<3>,1|H<1>,1|N<2>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]H)(N[5]Se[5]){1|C<3>,1|H<1>}	122.4778	0.508	4	122.4778	0.258	4	122.4778	0.258	4	123.6455	1.685	8	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:2:2:	3:3:	3:3:2:	C[5,6a]-3:N[6a]-2:S[5]-2:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(N[6a]C[6a])(S[5]N[5])	N[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[6a]S[5])(C[6a]C[6a]H)(S[5]N[5])	C[5,6a](C[5,6a]C[6a]S[5])(N[6a]C[6a])(S[5]N[5]){1|C<3>,2|H<1>}	N[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[5,6a](C[5,6a]N[6a]S[5])(C[6a]C[6a]H)(S[5]N[5]){1|C<3>,1|H<1>}	124.8132	0.193	4	124.8132	0.037	4	124.8132	0.037	4	123.6455	1.685	8	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:2:2:	3:3:	3:3:3:	C[5,6a]-3:N[5]-2:N[6a]-2:	C[5,6a]-3:C[6a]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5]C[5,6])(N[6a]C[6a])	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]N[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5]C[5,6])(N[6a]C[6a]){1|C<3>,2|C<4>,2|H<1>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H){1|H<1>,3|C<3>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]N[6a]N[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	126.5680	0.000	1	126.5680	0.000	1	126.5680	0.000	1	126.5680	0.000	1	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:2:2:	3:3:	3:3:4:	C[5,6a]-3:N[6a]-2:O[5]-2:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(O[5]C[4,5])	N[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)	C[5,6a](C[5,6a]N[6a]O[5])(C[6a]C[6a]N[5a])(C[5]C[4,5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(O[5]C[4,5]){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	N[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]N[6a]O[5])(C[6a]C[6a]N[5a])(C[5]C[4,5]HH){1|H<1>,2|C<4>,3|C<3>}	127.2660	0.238	2	127.2660	0.056	2	127.5085	0.163	4	127.3135	0.836	12	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:2:2:	3:3:	3:3:4:	C[5,6a]-3:N[6a]-2:O[5]-2:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(O[5]C[5])	N[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]2)	C[5,6a](C[5,6a]N[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(O[5]C[5]){3|H<1>,4|C<3>}	N[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]N[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]HH){2|H<1>,4|C<3>}	128.0650	0.000	1	128.0650	0.000	1	127.5085	0.163	4	127.3135	0.836	12	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:2:2:	3:3:	3:3:4:	C[5,6a]-3:N[6a]-2:O[5]-2:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(O[5]C[5])	N[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[6a]O[5])(C[6a]C[6a]N[5a])(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(O[5]C[5]){1|C<3>,1|N<3>,5|H<1>}	N[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H){1|C<3>,1|F<1>,2|C<4>}	C[5,6a](C[5,6a]N[6a]O[5])(C[6a]C[6a]N[5a])(C[5]C[5]HH){1|F<1>,2|H<1>,3|C<3>}	127.4370	0.000	1	127.4370	0.000	1	127.5085	0.163	4	127.3135	0.836	12	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:2:2:	3:3:	3:3:4:	C[5,6a]-3:N[6a]-2:O[5]-2:	C[5,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a,6a]C[5])(N[6a]C[6a])(O[5]C[5])	N[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a,6a]N)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]N[6a]O[5])(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a,6a]C[5])(N[6a]C[6a])(O[5]C[5]){1|N<3>,2|C<3>,4|H<1>}	N[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a,6a]N){2|C<3>,2|C<4>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]N[6a]O[5])(C[5]C[5]HH){3|C<3>,3|H<1>}	128.3780	0.000	1	128.3780	0.000	1	128.6950	0.201	2	127.3135	0.836	12	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:2:2:	3:3:	3:3:4:	C[5,6a]-3:N[6a]-2:O[5]-2:	C[5,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a,6a]C[5])(N[6a]C[6a])(O[5]C[5])	N[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a,6a]N)	C[5,6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]N[6a]O[5])(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a,6a]C[5])(N[6a]C[6a])(O[5]C[5]){1|C<3>,1|N<2>,1|N<3>,4|H<1>}	N[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a,6a]N){2|C<3>,2|C<4>}	C[5,6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]N[6a]O[5])(C[5]C[5]HH){2|H<1>,3|C<3>}	129.0120	0.000	1	129.0120	0.000	1	128.6950	0.201	2	127.3135	0.836	12	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:2:2:	3:3:	3:3:4:	C[5,6a]-3:N[6a]-2:O[5]-2:	C[6a,6a]-3:C[5,6a]-3:	C[6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(O[5]C[5])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]O[5])	C[5,6a](C[6a]C[6a,6a]C[6a])(C[5,6a]N[6a]O[5])(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(O[5]C[5]){3|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]O[5]){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[6a]C[6a,6a]C[6a])(C[5,6a]N[6a]O[5])(C[5]C[5]HH){2|H<1>,4|C<3>}	127.5325	0.104	2	127.5325	0.011	2	127.5325	0.011	2	127.3135	0.836	12	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:2:2:	3:3:	3:3:4:	C[5,6a]-3:N[6a]-2:S[5]-2:	C[5,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a,6a]C[5])(N[6a]C[6a])(S[5]C[5])	N[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a,6a]N)	C[5,6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]N[6a]S[5])(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a,6a]C[5])(N[6a]C[6a])(S[5]C[5]){1|C<3>,1|N<2>,1|N<3>,4|H<1>}	N[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a,6a]N){2|C<3>,2|C<4>}	C[5,6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]N[6a]S[5])(C[5]C[5]HH){2|H<1>,3|C<3>}	126.8750	0.000	1	126.8750	0.000	1	126.8750	0.000	1	127.3135	0.836	12	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:2:2:	3:3:	3:3:4:	C[5,6a]-3:N[6a]-2:S[5]-2:	C[6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(S[5]C[5])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]S[5])	C[5,6a](C[5,6a]N[6a]S[5])(C[6a]C[6a,6a]H)(C[5]C[5]HO)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(S[5]C[5]){1|O<2>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]S[5]){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]N[6a]S[5])(C[6a]C[6a,6a]H)(C[5]C[5]HO){4|C<3>}	126.1435	0.244	2	126.1435	0.060	2	126.1435	0.060	2	127.3135	0.836	12	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:2:2:	3:3:	3:3:4:	C[5,6a]-3:N[6a]-2:S[5]-2:	C[6a,6a]-3:C[5,6a]-3:	C[6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(S[5]C[5])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]S[5])	C[5,6a](C[6a]C[6a,6a]C[6a])(C[5,6a]N[6a]S[5])(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(S[5]C[5]){3|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]S[5]){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[6a]C[6a,6a]C[6a])(C[5,6a]N[6a]S[5])(C[5]C[5]HH){2|H<1>,4|C<3>}	126.1110	0.000	1	126.1110	0.000	1	126.1110	0.000	1	127.3135	0.836	12	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:2:2:	3:3:	3:4:3:	C[5,6a]-3:N[6a]-2:O[5]-2:	C[6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(O[5]C[5])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[5,6a]O[5])	C[5,6a](C[5,6a]N[6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a,6a]O)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(O[5]C[5]){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[5,6a]O[5]){3|C<3>,3|C<4>}	C[5,6a](C[5,6a]N[6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a,6a]O){1|H<1>,5|C<3>}	129.0760	0.000	1	129.0760	0.000	1	129.0760	0.000	1	129.0760	0.000	1	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:2:2:	3:3:	4:3:3:	C[5,6a]-3:N[6a]-2:O[5]-2:	C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(N[6a]C[6a])(O[5]C[5,5])	N[6a](C[5,6a]C[5,6a]O[5])(C[6a]N[6a]O)	C[5,6a](C[5,5]C[5,5]O[5]H)(C[5,6a]N[6a]O[5])(C[6a]N[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(N[6a]C[6a])(O[5]C[5,5]){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	N[6a](C[5,6a]C[5,6a]O[5])(C[6a]N[6a]O){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,5]C[5,5]O[5]H)(C[5,6a]N[6a]O[5])(C[6a]N[6a]H){1|C<3>,2|C<4>,2|H<1>}	127.4020	0.059	2	127.4020	0.004	2	127.4020	0.004	2	127.3433	0.433	6	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:2:2:	3:3:	4:3:3:	C[5,6a]-3:N[6a]-2:O[5]-2:	C[5,6a]-3:C[6a]-3:	C[5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(O[5]C[5,5])	N[6a](C[5,6a]C[5,6a]O[5])(C[6a]N[6a]N)	C[5,6a](C[5]C[5,5]C[6a]H)(C[5,6a]N[6a]O[5])(C[6a]N[6a]N)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(O[5]C[5,5]){1|H<1>,1|N<2>,2|N<3>,3|C<3>}	N[6a](C[5,6a]C[5,6a]O[5])(C[6a]N[6a]N){1|C<3>,2|C<4>}	C[5,6a](C[5]C[5,5]C[6a]H)(C[5,6a]N[6a]O[5])(C[6a]N[6a]N){5|C<3>}	128.4770	0.000	1	128.4770	0.000	1	128.4770	0.000	1	127.3433	0.433	6	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:2:2:	3:3:	4:3:3:	C[5,6a]-3:N[6a]-2:S[5]-2:	C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(N[6a]C[6a])(S[5]C[3x5])	N[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]C)	C[5,6a](C[5,5]C[3x5]N[5]N)(C[5,6a]N[6a]S[5])(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[5,5]C[6a])(N[6a]C[6a])(S[5]C[3x5]){2|C<3>,2|N<3>,3|C<4>}	N[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]C){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,5]C[3x5]N[5]N)(C[5,6a]N[6a]S[5])(C[6a]C[6a]C){1|C<4>,1|H<1>,4|C<3>}	127.1640	0.106	2	127.1640	0.011	2	127.1640	0.011	2	127.3433	0.433	6	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:2:2:	3:3:	4:3:3:	C[5,6a]-3:O[5]-2:N[6a]-2:	C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(O[5]C[4,5,5])(N[6a]C[6a])	N[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]Cl)	C[5,6a](C[5,5]C[4,5,5]C[5]H)(C[5,6a]N[6a]O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(O[5]C[4,5,5])(N[6a]C[6a]){1|Cl<1>,2|C<3>,2|C<4>,2|H<1>}	N[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]Cl){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,5]C[4,5,5]C[5]H)(C[5,6a]N[6a]O[5])(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	126.4510	0.000	1	126.4510	0.000	1	126.4510	0.000	1	127.3433	0.433	6	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:2:3:	3:3:	3:2:3:	C[5,6a]-3:N[6a]-2:C[5]-3:	C[6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:N[6a]-2:C[5]-3:	C[5,6a](C[5,6a]N[6a]C[5])(N[6a]C[6a,6a])(C[5]N[5]O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])	C[5,6a](C[5,6a]N[6a]C[5])(N[6a]C[6a,6a])(C[5]N[5]O)	C[5,6a](C[5,6a]N[6a]C[5])(N[6a]C[6a,6a])(C[5]N[5]O){1|C<4>,1|O<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5]){1|Br<1>,1|N<2>,1|N<3>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]N[6a]C[5])(N[6a]C[6a,6a])(C[5]N[5]O){1|C<4>,1|O<1>,2|C<3>}	123.9613	0.886	6	123.9613	0.784	6	123.9613	0.784	6	123.9613	0.784	6	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:2:3:	3:3:	3:3:2:	C[5,6a]-3:N[6a]-2:C[5]-3:	C[6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a](C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a])(C[5]C[5,6a]N)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]C[5])(N[6a]C[6a,6a])	C[5,6a](C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a])(C[5]C[5,6a]N){4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5]){1|H<1>,2|N<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]C[5])(N[6a]C[6a,6a]){1|H<1>,1|N<2>,4|C<3>}	123.5890	0.000	1	123.5890	0.000	1	124.3103	0.153	7	123.3657	1.542	12	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:2:3:	3:3:	3:3:2:	C[5,6a]-3:N[6a]-2:C[5]-3:	C[6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a](C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a])(C[5]C[5,6a]N)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])	C[5,6a](C[5,6a]C[5a,6a]C[5,6a])(C[5,6a]N[6a]C[5])(N[6a]C[6a,6a])	C[5,6a](C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a])(C[5]C[5,6a]N){4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5]){1|H<1>,2|N<2>,4|C<3>}	C[5,6a](C[5,6a]C[5a,6a]C[5,6a])(C[5,6a]N[6a]C[5])(N[6a]C[6a,6a]){1|N<2>,5|C<3>}	124.5340	0.000	1	124.5340	0.000	1	124.3103	0.153	7	123.3657	1.542	12	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:2:3:	3:3:	3:3:2:	C[5,6a]-3:N[6a]-2:C[5]-3:	C[6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a](C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a])(C[5]C[5,6a]O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]C[5])(N[6a]C[6a,6a])	C[5,6a](C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a])(C[5]C[5,6a]O){4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5]){1|C<2>,1|N<2>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]C[5])(N[6a]C[6a,6a]){1|H<1>,1|O<1>,4|C<3>}	124.3630	0.374	3	124.4098	0.075	5	124.3103	0.153	7	123.3657	1.542	12	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:2:3:	3:3:	3:3:2:	C[5,6a]-3:N[6a]-2:C[5]-3:	C[6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a](C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a])(C[5]C[5,6a]O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]C[5])(N[6a]C[6a,6a])	C[5,6a](C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a])(C[5]C[5,6a]O){4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5]){1|H<1>,1|N<2>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]C[5])(N[6a]C[6a,6a]){1|H<1>,1|O<1>,4|C<3>}	124.4800	0.071	2	124.4098	0.075	5	124.3103	0.153	7	123.3657	1.542	12	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:2:3:	3:3:	3:3:2:	C[5,6a]-3:N[6a]-2:C[5]-3:	C[6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:N[5]-3:N[6a]-2:	C[5,6a](C[5,6a]N[6a]N[5])(N[6a]C[6a,6a])(C[5]C[5]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])	C[5,6a](C[5,6a]N[6a]C[5])(N[5]C[6a]C[5])(N[6a]C[6a,6a])	C[5,6a](C[5,6a]N[6a]N[5])(N[6a]C[6a,6a])(C[5]C[5]C){1|O<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5]){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]N[6a]C[5])(N[5]C[6a]C[5])(N[6a]C[6a,6a]){1|O<1>,5|C<3>}	122.0507	0.593	4	122.0507	0.351	4	122.0432	0.264	5	123.3657	1.542	12	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:2:3:	3:3:	3:3:2:	C[5,6a]-3:N[6a]-2:C[5]-3:	C[6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:N[5]-3:N[6a]-2:	C[5,6a](C[5,6a]N[6a]N[5])(N[6a]C[6a,6a])(C[5]C[5]C)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[5,6a]C[5])	C[5,6a](C[5,6a]N[6a]C[5])(N[5]C[6a]C[5])(N[6a]C[6a,6a])	C[5,6a](C[5,6a]N[6a]N[5])(N[6a]C[6a,6a])(C[5]C[5]C){1|N<2>,1|O<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[5,6a]C[5]){1|N<2>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]N[6a]C[5])(N[5]C[6a]C[5])(N[6a]C[6a,6a]){1|O<1>,5|C<3>}	122.0130	0.000	1	122.0130	0.000	1	122.0432	0.264	5	123.3657	1.542	12	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:2:3:	3:3:	3:3:3:	C[5,6a]-3:N[6a]-2:C[5]-3:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(C[5]N[5]O)	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(C[5]N[5]O){1|C<4>,2|C<3>,2|H<1>}	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	126.0910	0.897	3	126.0910	0.805	3	125.3957	4.766	6	126.9376	2.728	116	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:2:3:	3:3:	3:3:3:	C[5,6a]-3:N[6a]-2:C[5]-3:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(C[5]N[5]O)	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(C[5]N[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	123.7610	3.745	2	124.7003	9.659	3	125.3957	4.766	6	126.9376	2.728	116	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:2:3:	3:3:	3:3:3:	C[5,6a]-3:N[6a]-2:C[5]-3:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(C[5]N[5]O)	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(C[5]N[5]O){1|O<1>,2|C<3>,2|H<1>}	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|H<1>,1|O<1>,2|C<3>}	126.5790	0.000	1	124.7003	9.659	3	125.3957	4.766	6	126.9376	2.728	116	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:2:3:	3:3:	3:3:3:	C[5,6a]-3:N[6a]-2:C[5]-3:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(C[5]N[5]C)	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N[6a])	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]N[6a]Cl)(N[5]N[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(C[5]N[5]C){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N[6a]){1|C<4>,1|H<1>,2|N<3>,3|C<3>}	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]N[6a]Cl)(N[5]N[5]C){1|C<3>,1|C<4>,2|H<1>}	125.1390	0.000	1	125.1390	0.000	1	125.1390	0.000	1	126.9376	2.728	116	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:2:3:	3:3:	3:3:3:	C[5,6a]-3:N[6a]-2:C[5]-3:	C[5a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(N[6a]C[5a,6a])(C[5]C[5,6a]H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[5])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5,6a]N[6a]C[5])	C[5,6a](C[5,6a]C[5,6a]C[6a])(N[6a]C[5a,6a])(C[5]C[5,6a]H){1|N<3>,4|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[5]){1|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5,6a]N[6a]C[5]){2|H<1>,6|C<3>}	126.0140	0.000	1	126.0140	0.000	1	126.0140	0.000	1	126.9376	2.728	116	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:2:3:	3:3:	3:3:3:	C[5,6a]-3:N[6a]-2:C[5]-3:	C[6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(C[5]C[5]N[5])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(C[5]C[5]N[5]){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5]){1|H<1>,1|N<3>,5|C<3>}	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]O){1|N<3>,3|C<3>}	125.2860	0.000	1	125.2860	0.000	1	126.1553	0.570	3	126.9376	2.728	116	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:2:3:	3:3:	3:3:3:	C[5,6a]-3:N[6a]-2:C[5]-3:	C[6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(C[5]C[5]O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]N)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(C[5]C[5]O){1|H<1>,1|N<3>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5]){1|H<1>,1|O<1>,5|C<3>}	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]N){1|O<1>,3|C<3>}	126.6440	0.000	1	126.6440	0.000	1	126.1553	0.570	3	126.9376	2.728	116	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:2:3:	3:3:	3:3:3:	C[5,6a]-3:N[6a]-2:C[5]-3:	C[6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(C[5]N[5]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(C[5]N[5]C){1|H<1>,1|O<2>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5]){1|H<1>,1|N<2>,5|C<3>}	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]H)(C[5]N[5]O){3|C<3>}	126.5360	0.000	1	126.5360	0.000	1	126.1553	0.570	3	126.9376	2.728	116	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:2:3:	3:3:	3:3:3:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]N[5]H)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[6a]N[5])(C[5]C[5]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]N[5]H){1|Os<9>,2|C<3>,2|H<1>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[5]C[5]N[5])(C[6a]C[6a]H){1|Br<1>,1|Os<9>,1|C<3>,1|H<1>,2|N<3>}	126.4800	0.000	1	126.9835	0.507	2	126.9835	0.507	2	126.9376	2.728	116	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:2:3:	3:3:	3:3:3:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]N[5]H)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[6a]N[5])(C[5]C[5]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]N[5]H){1|Ru<6>,2|C<3>,2|H<1>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]N[6a]N[5])(C[5]C[5]N[5])(C[6a]C[6a]H){1|Ru<6>,1|C<3>,2|H<1>,2|N<3>}	127.4870	0.000	1	126.9835	0.507	2	126.9835	0.507	2	126.9376	2.728	116	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:2:3:	3:3:	3:3:3:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]C)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]C){1|Br<1>,1|H<1>,1|O<1>,2|C<3>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	127.7580	0.525	2	127.7580	0.275	2	126.6042	1.873	4	126.9376	2.728	116	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:2:3:	3:3:	3:3:3:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]C)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,1|H<1>,2|C<3>}	125.5450	0.000	1	125.5450	0.000	1	126.6042	1.873	4	126.9376	2.728	116	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:2:3:	3:3:	3:3:3:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]H)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]H){1|O<1>,2|C<3>,2|H<1>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){2|C<3>,2|H<1>}	125.3560	0.000	1	125.3560	0.000	1	126.6042	1.873	4	126.9376	2.728	116	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:2:3:	3:3:	3:3:3:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]2)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]H)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(N[5]C[5]Pt)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]2){1|Pt<4>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]H){1|C<4>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(N[5]C[5]Pt){1|C<3>,1|C<4>,1|H<1>}	121.5350	0.000	1	121.5350	0.000	1	127.0948	2.648	99	126.9376	2.728	116	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:2:3:	3:3:	3:3:3:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]2)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]H)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(N[5]C[5]Rh)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]2){1|Rh<8>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]H){1|C<4>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(N[5]C[5]Rh){1|C<3>,1|C<4>,1|H<1>}	125.6880	1.438	2	125.6880	2.069	2	127.0948	2.648	99	126.9376	2.728	116	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:2:3:	3:3:	3:3:3:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]2)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]H)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]Pd)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]2){1|Pd<4>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]Pd){1|C<3>,1|C<4>,2|H<1>}	127.4120	0.034	2	127.4120	0.001	2	127.0948	2.648	99	126.9376	2.728	116	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:2:3:	3:3:	3:3:3:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]2)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]2){1|Pt<4>,1|H<1>,1|O<1>,1|O<2>,2|C<4>,2|N<3>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C){1|Pt<4>,1|C<3>,1|C<4>,1|H<1>}	127.0470	0.000	1	127.0470	0.000	1	127.0948	2.648	99	126.9376	2.728	116	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:2:3:	3:3:	3:3:3:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]2)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]2){1|C<4>,1|O<1>,1|O<2>,1|S<1>,2|H<1>,2|N<3>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]H){1|C<3>,1|C<4>,1|H<1>,1|S<1>}	127.0710	0.000	1	127.0710	0.000	1	127.0948	2.648	99	126.9376	2.728	116	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:2:3:	3:3:	3:3:3:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]2)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]Pt)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]2){1|Pt<4>,1|C<4>,1|O<1>,1|O<2>,2|H<1>,2|N<3>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]Pt){1|C<3>,1|C<4>,2|H<1>}	126.2217	1.172	3	126.2217	1.374	3	127.0948	2.648	99	126.9376	2.728	116	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:2:3:	3:3:	3:3:3:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]2)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]S)(N[5]C[5]Co)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]2){1|Co<6>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,1|S<2>,2|H<1>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N){1|C<4>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]S)(N[5]C[5]Co){1|C<3>,1|C<4>,1|H<1>}	124.2005	0.348	4	124.2005	0.121	4	127.0948	2.648	99	126.9376	2.728	116	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:2:3:	3:3:	3:3:3:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C){1|C<3>,1|C<4>,3|H<1>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,2|H<1>}	126.8210	0.000	1	126.8210	0.000	1	127.0948	2.648	99	126.9376	2.728	116	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:2:3:	3:3:	3:3:3:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]Cl)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]N[6a])(N[5]C[5]Ir)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C){1|Cl<1>,1|Ir<6>,1|C<3>,1|H<1>,1|N<2>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]Cl){1|C<4>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]N[6a])(N[5]C[5]Ir){1|C<4>,1|H<1>,3|C<3>}	125.2965	0.223	2	125.2965	0.050	2	127.0948	2.648	99	126.9376	2.728	116	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:2:3:	3:3:	3:3:3:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]Cl)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(N[5]C[5]Pt)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C){1|Cl<1>,1|Pt<4>,1|H<1>,1|N<2>,1|N<3>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]Cl){1|C<4>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(N[5]C[5]Pt){1|C<3>,1|C<4>,1|H<1>}	126.4410	0.041	2	126.4410	0.002	2	127.0948	2.648	99	126.9376	2.728	116	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:2:3:	3:3:	3:3:3:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]H)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[5a]N[6a])(N[5]C[5]Pt)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C){1|Pt<6>,1|C<3>,1|N<2>,2|H<1>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]H){1|C<4>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[5a]N[6a])(N[5]C[5]Pt){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	125.7320	0.000	1	125.7320	0.000	1	127.0948	2.648	99	126.9376	2.728	116	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:2:3:	3:3:	3:3:3:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]H)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C){1|Ir<8>,1|N<2>,1|N<3>,2|H<1>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]H){1|C<4>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(N[5]C[5]H){1|Ir<8>,1|C<3>,1|C<4>}	127.0510	0.000	1	127.0510	0.000	1	127.0948	2.648	99	126.9376	2.728	116	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:2:3:	3:3:	3:3:3:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]H)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(N[5]C[5]Ir)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C){1|Ir<8>,1|N<2>,1|N<3>,2|H<1>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]H){1|C<4>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(N[5]C[5]Ir){1|C<3>,1|C<4>,1|H<1>}	126.9260	0.000	1	126.9260	0.000	1	127.0948	2.648	99	126.9376	2.728	116	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:2:3:	3:3:	3:3:3:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]H)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(N[5]C[5]Os)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C){1|Os<9>,1|N<2>,1|N<3>,2|H<1>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]H){1|C<4>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(N[5]C[5]Os){1|C<3>,1|C<4>,1|H<1>}	127.8100	0.000	1	127.8100	0.000	1	127.0948	2.648	99	126.9376	2.728	116	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:2:3:	3:3:	3:3:3:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]H)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(N[5]C[5]Pt)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C){1|Pt<4>,1|N<2>,1|N<3>,2|H<1>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]H){1|C<4>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(N[5]C[5]Pt){1|C<3>,1|C<4>,1|H<1>}	125.3980	0.000	1	125.3980	0.000	1	127.0948	2.648	99	126.9376	2.728	116	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:2:3:	3:3:	3:3:3:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]H)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(N[5]C[5]Ru)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C){1|Ru<6>,1|N<2>,1|N<3>,2|H<1>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]H){1|C<4>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(N[5]C[5]Ru){1|C<3>,1|C<4>,1|H<1>}	127.2910	0.000	1	127.2910	0.000	1	127.0948	2.648	99	126.9376	2.728	116	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:2:3:	3:3:	3:3:3:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]H)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C){1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C){1|C<3>,1|C<4>,2|H<1>}	127.1410	0.000	1	127.1410	0.000	1	127.0948	2.648	99	126.9376	2.728	116	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:2:3:	3:3:	3:3:3:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]H)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C){1|N<3>,1|O<1>,3|H<1>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]H){1|C<3>,1|C<4>,2|H<1>}	127.3286	0.325	5	127.3286	0.105	5	127.0948	2.648	99	126.9376	2.728	116	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:2:3:	3:3:	3:3:3:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]H)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]Pt)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C){1|Pt<4>,1|N<3>,1|O<1>,2|H<1>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]Pt){1|C<3>,1|C<4>,2|H<1>}	127.4436	0.485	5	127.4436	0.235	5	127.0948	2.648	99	126.9376	2.728	116	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:2:3:	3:3:	3:3:3:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]H)(N[5]C[5]Co)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C){1|Co<6>,1|N<2>,1|N<3>,2|H<1>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N){1|C<4>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]H)(N[5]C[5]Co){1|C<3>,1|C<4>,1|H<1>}	127.4270	0.000	1	127.4270	0.000	1	127.0948	2.648	99	126.9376	2.728	116	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:2:3:	3:3:	3:3:3:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]H)(N[5]C[5]Cu)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C){1|Cu<5>,1|N<2>,1|N<3>,2|H<1>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N){1|C<4>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]H)(N[5]C[5]Cu){1|C<3>,1|C<4>,1|H<1>}	126.5775	0.766	2	126.5775	0.586	2	127.0948	2.648	99	126.9376	2.728	116	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:2:3:	3:3:	3:3:3:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C){1|C<4>,1|H<1>,1|O<1>,2|N<3>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N){1|Pt<4>,1|C<4>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C){1|Pt<4>,1|C<3>,1|C<4>,1|H<1>}	126.3245	0.450	2	126.3245	0.203	2	127.0948	2.648	99	126.9376	2.728	116	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:2:3:	3:3:	3:3:3:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C){1|O<1>,2|H<1>,2|N<3>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]H){1|C<3>,1|C<4>,2|H<1>}	127.7353	0.432	6	127.7630	0.161	7	127.0948	2.648	99	126.9376	2.728	116	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:2:3:	3:3:	3:3:3:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C){1|Ru<6>,1|H<1>,1|O<1>,2|N<3>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]H){1|Ru<6>,1|C<3>,1|C<4>,1|H<1>}	127.9290	0.000	1	127.7630	0.161	7	127.0948	2.648	99	126.9376	2.728	116	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:2:3:	3:3:	3:3:3:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]Os)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C){1|Os<9>,1|H<1>,1|O<1>,2|N<3>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]Os){1|C<3>,1|C<4>,2|H<1>}	128.8050	0.000	1	128.8050	0.000	1	127.0948	2.648	99	126.9376	2.728	116	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:2:3:	3:3:	3:3:3:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]Pt)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C){1|Pt<4>,1|H<1>,1|O<1>,2|N<3>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]Pt){1|C<3>,1|C<4>,2|H<1>}	129.1476	1.534	11	129.1476	2.352	11	127.0948	2.648	99	126.9376	2.728	116	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:2:3:	3:3:	3:3:3:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]Re)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C){1|Re<6>,1|H<1>,1|O<1>,2|N<3>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]Re){1|C<3>,1|C<4>,2|H<1>}	129.7510	0.482	2	129.7510	0.233	2	127.0948	2.648	99	126.9376	2.728	116	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:2:3:	3:3:	3:3:3:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]Rh)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C){1|Rh<5>,1|H<1>,1|O<1>,2|N<3>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]Rh){1|C<3>,1|C<4>,2|H<1>}	128.6970	0.000	1	128.6970	0.000	1	127.0948	2.648	99	126.9376	2.728	116	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:2:3:	3:3:	3:3:3:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]Ru)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C){1|Ru<6>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]Ru){1|C<3>,1|C<4>,2|H<1>}	129.6150	0.000	1	129.0610	0.335	3	127.0948	2.648	99	126.9376	2.728	116	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:2:3:	3:3:	3:3:3:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]Ru)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C){1|Ru<6>,1|H<1>,1|O<1>,2|N<3>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]Ru){1|C<3>,1|C<4>,2|H<1>}	128.4610	0.000	1	129.0610	0.335	3	127.0948	2.648	99	126.9376	2.728	116	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:2:3:	3:3:	3:3:3:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]Ru)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C){1|Ru<9>,1|H<1>,1|O<1>,2|N<3>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]Ru){1|C<3>,1|C<4>,2|H<1>}	129.1070	0.000	1	129.0610	0.335	3	127.0948	2.648	99	126.9376	2.728	116	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:2:3:	3:3:	3:3:3:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]Zn)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C){1|Zn<4>,1|H<1>,1|O<1>,2|N<3>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]Zn){1|C<3>,1|C<4>,2|H<1>}	128.5630	0.000	1	128.2430	0.205	2	127.0948	2.648	99	126.9376	2.728	116	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:2:3:	3:3:	3:3:3:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]Zn)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C){1|Zn<4>,1|H<1>,1|O<2>,2|N<2>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N){1|C<4>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]Zn){1|C<3>,1|C<4>,1|H<1>}	127.9230	0.000	1	128.2430	0.205	2	127.0948	2.648	99	126.9376	2.728	116	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:2:3:	3:3:	3:3:3:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]H)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]H)(N[5]C[5]Zn)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H){1|Zn<4>,1|N<2>,3|H<1>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]H)(N[5]C[5]Zn){1|C<3>,2|H<1>}	125.0550	0.133	2	125.0550	0.018	2	127.0948	2.648	99	126.9376	2.728	116	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:2:3:	3:3:	3:3:3:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]H)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H){1|N<2>,1|N<3>,3|H<1>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(N[5]C[5]H){1|C<3>,2|H<1>}	125.7613	0.830	3	126.3146	0.941	5	127.0948	2.648	99	126.9376	2.728	116	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:2:3:	3:3:	3:3:3:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]H)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H){2|N<3>,3|H<1>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(N[5]C[5]H){1|C<3>,3|H<1>}	127.1445	0.302	2	126.3146	0.941	5	127.0948	2.648	99	126.9376	2.728	116	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:2:3:	3:3:	3:3:3:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]H)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N[5])(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H){1|N<2>,1|N<3>,3|H<1>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N[5])(N[5]C[5]H){2|H<1>,3|C<3>}	125.4300	0.000	1	125.4300	0.000	1	127.0948	2.648	99	126.9376	2.728	116	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:2:3:	3:3:	3:3:3:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]H)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H){1|N<3>,1|O<1>,3|H<1>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]H){1|C<3>,3|H<1>}	126.9054	0.320	5	126.9054	0.103	5	127.0948	2.648	99	126.9376	2.728	116	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:2:3:	3:3:	3:3:3:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]H)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]S)(N[5]C[5]Ag)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H){1|Ag<4>,1|N<2>,1|S<2>,2|H<1>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]S)(N[5]C[5]Ag){1|C<3>,2|H<1>}	126.7510	0.000	1	126.7510	0.000	1	127.0948	2.648	99	126.9376	2.728	116	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:2:3:	3:3:	3:3:3:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]H)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]S)(N[5]C[5]Cu)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H){1|Cu<4>,1|N<2>,1|S<2>,2|H<1>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]S)(N[5]C[5]Cu){1|C<3>,2|H<1>}	124.8370	0.000	1	125.1125	0.152	2	127.0948	2.648	99	126.9376	2.728	116	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:2:3:	3:3:	3:3:3:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]H)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]S)(N[5]C[5]Cu)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H){1|Cu<4>,1|N<2>,1|S<3>,2|H<1>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]S)(N[5]C[5]Cu){1|C<3>,2|H<1>}	125.3880	0.000	1	125.1125	0.152	2	127.0948	2.648	99	126.9376	2.728	116	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:2:3:	3:3:	3:3:3:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]H)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]S)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H){1|N<3>,1|S<1>,3|H<1>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]S)(N[5]C[5]H){1|C<3>,3|H<1>}	126.2980	0.000	1	126.2980	0.000	1	127.0948	2.648	99	126.9376	2.728	116	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:2:3:	3:3:	3:3:3:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(N[5]C[5]Co)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H){1|Co<6>,1|H<1>,1|N<2>,2|N<3>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(N[5]C[5]Co){1|C<3>,2|H<1>}	127.5350	0.000	1	127.5350	0.000	1	127.0948	2.648	99	126.9376	2.728	116	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:2:3:	3:3:	3:3:3:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H){1|C<4>,1|H<1>,1|O<1>,2|N<3>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C){1|C<3>,3|H<1>}	127.8974	0.283	5	127.8974	0.080	5	127.0948	2.648	99	126.9376	2.728	116	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:2:3:	3:3:	3:3:3:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H){1|O<1>,2|H<1>,2|N<3>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]H){1|C<3>,3|H<1>}	126.9000	1.764	7	126.9000	3.112	7	127.0948	2.648	99	126.9376	2.728	116	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:2:3:	3:3:	3:3:3:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]S)(N[5]C[5]Ru)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H){1|Ru<9>,1|H<1>,1|S<2>,2|N<2>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]S)(N[5]C[5]Ru){1|C<3>,2|H<1>}	124.4540	0.000	1	124.4540	0.000	1	127.0948	2.648	99	126.9376	2.728	116	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:2:3:	3:3:	3:3:4:	C[5,6a]-3:N[6a]-2:C[5]-3:	C[5,6a]-3:C[5,6a]-3:	C[6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[5,6a])(C[5]C[5]C)	N[6a](C[5,6a]C[5,6a]C[5])2	C[5,6a](C[6a]C[5,6a]C[6a])(C[5,6a]N[6a]C[5])(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[5,6a])(C[5]C[5]C){3|C<3>,4|H<1>}	N[6a](C[5,6a]C[5,6a]C[5])2{3|C<3>,4|C<4>}	C[5,6a](C[6a]C[5,6a]C[6a])(C[5,6a]N[6a]C[5])(C[5]C[5]HH){1|C<4>,2|H<1>,4|C<3>}	125.2775	0.558	2	125.2775	0.311	2	125.2775	0.311	2	126.0690	0.296	43	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:2:3:	3:3:	3:3:4:	C[5,6a]-3:N[6a]-2:C[5]-3:	C[5,6a]-3:C[6a,6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(C[5]N[5]O)	N[6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a,6a]2)	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]H)(C[5]N[5]HO)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(C[5]N[5]O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	N[6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a,6a]2){1|C<4>,1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]H)(C[5]N[5]HO){1|C<4>,1|O<1>,2|C<3>}	126.0860	0.000	1	126.0860	0.000	1	126.0860	0.000	1	126.0690	0.296	43	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:2:3:	3:3:	3:3:4:	C[5,6a]-3:N[6a]-2:C[5]-3:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(C[5]N[5]O)	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HO)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(C[5]N[5]O){1|O<2>,2|C<3>,3|H<1>}	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HO){1|H<1>,1|O<1>,2|C<3>}	125.8160	0.003	2	125.8160	0.000	2	125.8160	0.000	2	126.0690	0.296	43	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:2:3:	3:3:	3:3:4:	C[5,6a]-3:N[6a]-2:C[5]-3:	C[6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(C[5]O[5]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]H)(C[5]O[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(C[5]O[5]C){1|C<4>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5]){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]H)(C[5]O[5]CH){3|C<3>}	125.5540	0.000	1	125.5540	0.000	1	125.5540	0.000	1	126.0690	0.296	43	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:2:3:	3:3:	3:3:4:	C[5,6a]-3:N[6a]-2:C[5]-3:	C[6a,6a]-3:C[5,6a]-3:	C[6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(C[5]O[5]O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])	C[5,6a](C[6a]C[6a,6a]C[6a])(C[5,6a]N[6a]C[5])(C[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(C[5]O[5]O){2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5]){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[5,6a](C[6a]C[6a,6a]C[6a])(C[5,6a]N[6a]C[5])(C[5]O[5]HH){1|O<1>,4|C<3>}	127.4400	0.495	2	127.4400	0.245	2	127.4400	0.245	2	126.0690	0.296	43	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:2:3:	3:3:	3:3:4:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]2)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]2){1|C<4>,2|C<3>,6|H<1>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|C<3>,3|H<1>}	125.7965	0.438	4	125.7965	0.192	4	126.0646	0.191	35	126.0690	0.296	43	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:2:3:	3:3:	3:3:4:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]C)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]2)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]C){3|C<3>,4|H<1>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]2){1|H<1>,3|C<3>,3|C<4>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|C<3>,1|C<4>,2|N<2>,3|H<1>}	126.4810	0.000	1	126.4810	0.000	1	126.0646	0.191	35	126.0690	0.296	43	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:2:3:	3:3:	3:3:4:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]C)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]C){1|C<3>,6|H<1>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|C<3>,3|H<1>}	126.1315	0.433	27	126.1315	0.187	27	126.0646	0.191	35	126.0690	0.296	43	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:2:3:	3:3:	3:3:4:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]C)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]C){1|C<3>,1|O<2>,5|H<1>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|C<3>,3|H<1>}	125.6810	0.094	3	125.6810	0.009	3	126.0646	0.191	35	126.0690	0.296	43	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:2:3:	3:3:	3:4:2:	C[5,6a]-3:N[6a]-2:C[5]-3:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:N[6a]-2:	C[5,6a](C[5,6a]N[6a]C[5])(N[6a]C[6a])(C[5]N[5]O)	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[6a]C[5])(C[5]N[5]HO)(N[6a]C[6a])	C[5,6a](C[5,6a]N[6a]C[5])(N[6a]C[6a])(C[5]N[5]O){1|O<2>,2|C<3>,2|H<1>}	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]N[6a]C[5])(C[5]N[5]HO)(N[6a]C[6a]){1|H<1>,1|O<1>,2|C<3>}	124.2387	0.102	3	124.2387	0.011	3	124.2387	0.011	3	124.2387	0.011	3	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:2:3:	3:3:	3:4:3:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]H)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[5a]N[6a])	C[5,6a](C[5,6a]N[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]N[6a]N)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|C<3>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[5a]N[6a]){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]N[6a]N){1|H<1>,1|O<1>,3|C<3>}	126.1130	0.000	1	126.1130	0.000	1	126.1130	0.000	1	126.1130	0.000	1	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:2:3:	3:3:	4:3:3:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(N[6a]C[6a])(N[5]C[5]C)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]N[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(N[6a]C[6a])(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]N[6a]N[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	126.4660	0.000	1	126.4660	0.000	1	126.4660	0.000	1	126.4307	0.549	3	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:2:3:	3:3:	4:3:3:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[6a,6a]-3:C[5,6a]-3:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[4,5]C[6a])(N[6a]C[6a,6a])(N[5]C[5]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[5])	C[5,6a](C[4,5]C[4]C[5]N[4])(C[5,6a]N[6a]N[5])(C[6a]C[6a,6a]H)	C[5,6a](C[5,6a]C[4,5]C[6a])(N[6a]C[6a,6a])(N[5]C[5]C){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[5]){1|H<1>,2|C<4>,4|C<3>}	C[5,6a](C[4,5]C[4]C[5]N[4])(C[5,6a]N[6a]N[5])(C[6a]C[6a,6a]H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	125.6730	0.000	1	125.6730	0.000	1	125.6730	0.000	1	126.4307	0.549	3	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:2:3:	3:3:	4:3:3:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[6a,6a]-3:C[5,6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(N[6a]C[6a,6a])(N[5]C[5]C[6])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[5])	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]N[6a]N[5])(C[6a]C[6a,6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(N[6a]C[6a,6a])(N[5]C[5]C[6]){1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[5]){1|H<1>,2|C<4>,4|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]N[6a]N[5])(C[6a]C[6a,6a]H){1|N<2>,1|O<1>,2|C<4>,4|C<3>}	127.1530	0.000	1	127.1530	0.000	1	127.1530	0.000	1	126.4307	0.549	3	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:2:4:	3:3:	3:2:4:	C[5,6a]-3:N[6a]-2:C[5]-4:	C[5,6a]-3:C[5,6a]-3:	C[5,6a]-3:N[6a]-2:C[5]-4:	C[5,6a](C[5,6a]N[6a]C[5])(N[6a]C[5,6a])(C[5]N[5]HH)	N[6a](C[5,6a]C[5,6a]C[5])2	C[5,6a](C[5,6a]N[6a]C[5])(N[6a]C[5,6a])(C[5]N[5]HH)	C[5,6a](C[5,6a]N[6a]C[5])(N[6a]C[5,6a])(C[5]N[5]HH){1|C<3>,2|C<4>,2|H<1>}	N[6a](C[5,6a]C[5,6a]C[5])2{1|N<2>,2|C<4>,2|N<3>,4|H<1>}	C[5,6a](C[5,6a]N[6a]C[5])(N[6a]C[5,6a])(C[5]N[5]HH){1|C<3>,2|C<4>,2|H<1>}	123.8772	0.306	6	123.8772	0.093	6	123.5290	0.483	8	123.5290	0.483	8	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:2:4:	3:3:	3:2:4:	C[5,6a]-3:N[6a]-2:C[5]-4:	C[5,6a]-3:C[5,6a]-3:	C[5,6a]-3:N[6a]-2:C[5]-4:	C[5,6a](C[5,6a]N[6a]C[5])(N[6a]C[5,6a])(C[5]S[5]HH)	N[6a](C[5,6a]C[5,6a]C[5])2	C[5,6a](C[5,6a]N[6a]C[5])(N[6a]C[5,6a])(C[5]S[5]HH)	C[5,6a](C[5,6a]N[6a]C[5])(N[6a]C[5,6a])(C[5]S[5]HH){1|C<3>,1|C<4>,2|H<1>}	N[6a](C[5,6a]C[5,6a]C[5])2{1|N<2>,2|C<4>,2|S<2>,4|H<1>}	C[5,6a](C[5,6a]N[6a]C[5])(N[6a]C[5,6a])(C[5]S[5]HH){1|C<3>,1|C<4>,2|H<1>}	122.4845	0.054	2	122.4845	0.003	2	123.5290	0.483	8	123.5290	0.483	8	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:2:4:	3:3:	3:3:3:	C[5,6a]-3:N[6a]-2:C[5]-4:	C[5a,6a]-3:C[5,6a]-3:	C[6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[5a,6a])(C[5]O[5]HH)	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[5,6a]C[5,6a]C[5])	C[5,6a](C[6a]C[5a,6a]C[6a])(C[5,6a]N[6a]C[5])(C[5]O[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[5a,6a])(C[5]O[5]HH){1|O<1>,1|O<2>,2|C<3>}	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[5,6a]C[5,6a]C[5]){1|N<2>,1|O<2>,2|H<1>,3|C<3>}	C[5,6a](C[6a]C[5a,6a]C[6a])(C[5,6a]N[6a]C[5])(C[5]O[5]O){2|H<1>,4|C<3>}	127.3400	0.000	2	127.3400	0.000	2	127.3400	0.000	2	126.6838	0.746	4	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:2:4:	3:3:	3:3:3:	C[5,6a]-3:N[6a]-2:C[5]-4:	C[6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(C[5]N[5]HH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(C[5]N[5]HH){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5]){1|N<3>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]H)(C[5]N[5]O){1|C<4>,2|C<3>,2|H<1>}	126.5350	0.000	1	126.5350	0.000	1	126.5350	0.000	1	126.6838	0.746	4	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:2:4:	3:3:	3:3:3:	C[5,6a]-3:N[6a]-2:C[5]-4:	C[6a,6a]-3:C[5,6a]-3:	C[6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(C[5]N[5]HH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])	C[5,6a](C[6a]C[6a,6a]C[6a])(C[5,6a]N[6a]C[5])(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(C[5]N[5]HH){1|C<4>,1|O<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5]){1|N<3>,3|H<1>,4|C<3>}	C[5,6a](C[6a]C[6a,6a]C[6a])(C[5,6a]N[6a]C[5])(C[5]N[5]O){1|C<4>,2|H<1>,4|C<3>}	125.5200	0.000	1	125.5200	0.000	1	125.5200	0.000	1	126.6838	0.746	4	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:2:4:	3:3:	3:3:4:	C[5,6a]-3:N[6a]-2:C[5]-4:	C[5,6a]-3:C[6,6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6,6a])(C[5]C[5]HH)	N[6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6a]C[6])	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6,6a]N)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6,6a])(C[5]C[5]HH){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6a]C[6]){1|C<3>,4|C<4>,4|H<1>}	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6,6a]N)(C[5]C[5]HH){1|C<3>,1|C<4>,4|H<1>}	124.0080	0.000	1	124.0080	0.000	1	124.0080	0.000	1	124.7112	0.432	4	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:2:4:	3:3:	3:3:4:	C[5,6a]-3:N[6a]-2:C[5]-4:	C[5a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a](C[5,6a]C[6a]S[5])(N[6a]C[5a,6a])(C[5]O[5]CC)	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[5,6a]C[5,6a]C[5])	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]N[5a,6a]H)(S[5]O[5]OO)	C[5,6a](C[5,6a]C[6a]S[5])(N[6a]C[5a,6a])(C[5]O[5]CC){1|C<3>,1|H<1>,1|N<3>,2|O<1>}	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[5,6a]C[5,6a]C[5]){1|C<2>,1|N<2>,1|O<2>,1|S<4>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]N[5a,6a]H)(S[5]O[5]OO){1|C<3>,1|N<2>,2|C<4>}	124.9430	0.000	1	124.9430	0.000	1	124.9430	0.000	1	124.7112	0.432	4	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:2:4:	3:3:	3:3:4:	C[5,6a]-3:N[6a]-2:C[5]-4:	C[5a,6a]-3:C[5,6a]-3:	C[6a]-3:C[5,6a]-3:S[5]-4:	C[5,6a](C[5,6a]C[6a]S[5])(N[6a]C[5a,6a])(C[5]C[5]HH)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[5])	C[5,6a](C[6a]C[5a,6a]C[6a])(C[5,6a]N[6a]C[5])(S[5]C[5]OO)	C[5,6a](C[5,6a]C[6a]S[5])(N[6a]C[5a,6a])(C[5]C[5]HH){1|N<3>,2|C<3>,2|H<1>,2|O<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[5]){1|C<4>,1|N<2>,1|S<4>,2|H<1>,3|C<3>}	C[5,6a](C[6a]C[5a,6a]C[6a])(C[5,6a]N[6a]C[5])(S[5]C[5]OO){4|C<3>,4|H<1>}	124.3830	0.000	1	124.3830	0.000	1	124.3830	0.000	1	124.7112	0.432	4	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:2:4:	3:3:	3:3:4:	C[5,6a]-3:N[6a]-2:C[5]-4:	C[6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(C[5]C[5]HH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]Br)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(C[5]C[5]HH){1|Br<1>,2|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5]){2|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]Br)(C[5]C[5]HH){2|C<3>,4|H<1>}	125.5110	0.000	1	125.5110	0.000	1	125.5110	0.000	1	124.7112	0.432	4	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:2:	3:2:	3:3:2:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a]-3:N[6a]-2:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	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])	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[6a]C[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]){1|H<1>,4|C<3>}	N[6a](C[5,6a]C[5,6a]2)(N[6a]C[6a]){1|N<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a]){1|H<1>,1|N<2>,4|C<3>}	121.8200	0.378	3	121.8200	0.143	3	121.8200	0.143	3	121.8200	0.143	3	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:2:	3:2:	3:3:3:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a]-3:N[6a]-2:	C[5,6a]-3:C[5,6a]-3:C[6a]-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])	N[6a](C[5,6a]C[5,6a]2)(N[6a]C[6a])	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]N[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]){1|H<1>,5|C<3>}	N[6a](C[5,6a]C[5,6a]2)(N[6a]C[6a]){5|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[6a]C[6a]2){1|H<1>,1|N<2>,6|C<3>}	124.4590	0.000	1	124.4590	0.000	1	124.4590	0.000	1	124.4513	0.185	3	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:2:	3:2:	3:3:3:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a]-3:N[6a]-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	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])	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]O)(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]){1|H<1>,1|O<1>,4|C<3>}	N[6a](C[5,6a]C[5,6a]2)(N[6a]C[6a]){5|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]O)(C[6a]C[6a]2){1|N<2>,5|C<3>}	124.4475	0.607	2	124.4475	0.369	2	124.4475	0.369	2	124.4513	0.185	3	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:2:	3:3:	3:2:3:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:N[6a]-2:C[5]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]C[5])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)	C[5,6a](C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a])(C[5]C[5,6a]N)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]C[5])(N[6a]C[6a,6a]){1|H<1>,1|N<2>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2){1|H<1>,1|N<2>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a])(C[5]C[5,6a]N){4|C<3>}	124.0210	0.000	1	124.0210	0.000	1	123.4349	0.287	7	124.2172	1.171	12	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:2:	3:3:	3:2:3:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:N[6a]-2:C[5]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]C[5])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)	C[5,6a](C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a])(C[5]C[5,6a]O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]C[5])(N[6a]C[6a,6a]){1|H<1>,1|O<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2){1|C<2>,1|N<2>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a])(C[5]C[5,6a]O){4|C<3>}	123.6493	0.195	3	123.5318	0.046	5	123.4349	0.287	7	124.2172	1.171	12	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:2:	3:3:	3:2:3:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:N[6a]-2:C[5]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]C[5])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)	C[5,6a](C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a])(C[5]C[5,6a]O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]C[5])(N[6a]C[6a,6a]){1|H<1>,1|O<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2){1|H<1>,1|N<2>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a])(C[5]C[5,6a]O){4|C<3>}	123.3555	0.077	2	123.5318	0.046	5	123.4349	0.287	7	124.2172	1.171	12	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:2:	3:3:	3:2:3:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:N[6a]-2:C[5]-3:	C[5,6a](C[5,6a]C[5a,6a]C[5,6a])(C[5,6a]N[6a]C[5])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)	C[5,6a](C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a])(C[5]C[5,6a]N)	C[5,6a](C[5,6a]C[5a,6a]C[5,6a])(C[5,6a]N[6a]C[5])(N[6a]C[6a,6a]){1|N<2>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2){1|H<1>,1|N<2>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a])(C[5]C[5,6a]N){4|C<3>}	122.3640	0.000	1	122.3640	0.000	1	123.4349	0.287	7	124.2172	1.171	12	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:2:	3:3:	3:2:3:	C[5,6a]-3:N[5]-3:N[6a]-2:	C[6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:N[6a]-2:C[5]-3:	C[5,6a](C[5,6a]N[6a]C[5])(N[5]C[6a]C[5])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[5])	C[5,6a](C[5,6a]N[6a]N[5])(N[6a]C[6a,6a])(C[5]C[5]C)	C[5,6a](C[5,6a]N[6a]C[5])(N[5]C[6a]C[5])(N[6a]C[6a,6a]){1|O<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[5]){1|H<1>,1|N<2>,5|C<3>}	C[5,6a](C[5,6a]N[6a]N[5])(N[6a]C[6a,6a])(C[5]C[5]C){1|O<1>,3|C<3>}	125.4015	0.490	4	125.3126	0.220	5	125.3126	0.220	5	124.2172	1.171	12	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:2:	3:3:	3:2:3:	C[5,6a]-3:N[5]-3:N[6a]-2:	C[6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:N[6a]-2:C[5]-3:	C[5,6a](C[5,6a]N[6a]C[5])(N[5]C[6a]C[5])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[5])	C[5,6a](C[5,6a]N[6a]N[5])(N[6a]C[6a,6a])(C[5]C[5]C)	C[5,6a](C[5,6a]N[6a]C[5])(N[5]C[6a]C[5])(N[6a]C[6a,6a]){1|O<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[5]){1|H<1>,2|N<2>,4|C<3>}	C[5,6a](C[5,6a]N[6a]N[5])(N[6a]C[6a,6a])(C[5]C[5]C){1|N<2>,1|O<1>,2|C<3>}	124.9570	0.000	1	125.3126	0.220	5	125.3126	0.220	5	124.2172	1.171	12	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:2:	3:3:	3:3:2:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5]-3:N[6a]-2:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]C[5])(N[6a]C[5,6a])	N[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]O)(N[6a]C[5,6a])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]C[5])(N[6a]C[5,6a]){1|H<1>,1|O<1>,4|C<3>}	N[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2){1|N<2>,1|O<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]O)(N[6a]C[5,6a]){4|C<3>}	123.4170	0.000	1	123.4170	0.000	1	123.4170	0.000	1	123.8711	2.051	25	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:2:	3:3:	3:3:2:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a])	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a])	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a]){2|H<1>,4|C<3>}	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H){1|H<1>,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]C[6a]){2|H<1>,4|C<3>}	122.7640	0.000	1	122.7640	0.000	1	122.8338	3.336	5	123.8711	2.051	25	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:2:	3:3:	3:3:2:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a])	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]N[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])	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a]){1|H<1>,1|N<2>,4|C<3>}	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]N[6a]){2|N<2>,4|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>}	121.8020	0.251	3	121.8020	0.063	3	122.8338	3.336	5	123.8711	2.051	25	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:2:	3:3:	3:3:2:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a])	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a])	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a]){2|H<1>,5|C<3>}	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a]){2|H<1>,5|C<3>}	125.9990	0.000	1	125.9990	0.000	1	122.8338	3.336	5	123.8711	2.051	25	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:2:	3:3:	3:3:2:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[6a]C[5a,6a])	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]2)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[6a]C[5a,6a])	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[6a]C[5a,6a]){1|H<1>,5|C<3>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]2){1|H<1>,1|N<2>,1|S<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[6a]C[5a,6a]){1|H<1>,5|C<3>}	124.4195	0.455	2	124.4195	0.207	2	124.4195	0.207	2	123.8711	2.051	25	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:2:	3:3:	3:3:2:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a])	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a]){1|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2){1|H<1>,1|N<2>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a]){1|H<1>,5|C<3>}	123.3485	0.414	4	123.2514	0.281	8	123.3679	0.291	12	123.8711	2.051	25	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:2:	3:3:	3:3:2:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a])	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a]){1|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2){1|N<2>,1|O<2>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a]){1|H<1>,5|C<3>}	123.1543	0.677	4	123.2514	0.281	8	123.3679	0.291	12	123.8711	2.051	25	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:2:	3:3:	3:3:2:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[5,6a]2)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a])	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a]){1|H<1>,1|N<2>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[5,6a]2){2|N<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a]){1|H<1>,1|N<2>,4|C<3>}	123.6010	0.549	4	123.6010	0.302	4	123.3679	0.291	12	123.8711	2.051	25	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:2:	3:3:	3:3:2:	C[5,6a]-3:C[5]-3:N[6a]-2:	C[5,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]O)(N[6a]C[5,6a])	N[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]C[5])(N[6a]C[5,6a])	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]O)(N[6a]C[5,6a]){4|C<3>}	N[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2){1|N<2>,1|O<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]C[5])(N[6a]C[5,6a]){1|H<1>,1|O<1>,4|C<3>}	125.3370	0.000	1	125.3370	0.000	1	125.3370	0.000	1	123.8711	2.051	25	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:2:	3:3:	3:3:2:	C[5,6a]-3:N[5]-3:N[6a]-2:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(N[5]C[6a]C[5])(N[6a]C[6a])	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]H)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(N[5]C[6a]C[5])(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,1|S<1>,2|C<3>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]H){1|C<4>,1|S<2>,3|C<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(S[5]C[5]){1|C<4>,1|S<1>,2|C<3>}	125.7850	0.000	1	125.7850	0.000	1	126.1500	0.109	4	123.8711	2.051	25	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:2:	3:3:	3:3:2:	C[5,6a]-3:N[5]-3:N[6a]-2:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(N[5]C[6a]C[5])(N[6a]C[6a])	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(N[5]C[6a]C[5])(N[6a]C[6a]){1|O<1>,1|S<1>,2|C<3>,2|N<3>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N){1|S<2>,4|C<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(S[5]C[5]){1|S<1>,3|C<3>}	126.5730	0.000	1	126.5730	0.000	1	126.1500	0.109	4	123.8711	2.051	25	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:2:	3:3:	3:3:2:	C[5,6a]-3:N[5]-3:N[6a]-2:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(N[5]C[6a]C[5])(N[6a]C[6a])	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N[6])	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(N[5]C[6a]C[5])(N[6a]C[6a]){1|O<1>,1|S<1>,2|C<3>,2|N<3>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N[6]){1|S<2>,2|C<4>,4|C<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(S[5]C[5]){1|S<1>,3|C<3>}	126.0410	0.000	1	126.0410	0.000	1	126.1500	0.109	4	123.8711	2.051	25	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:2:	3:3:	3:3:2:	C[5,6a]-3:N[5]-3:N[6a]-2:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(N[5]C[6a]C[5])(N[6a]C[6a])	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(N[5]C[6a]C[5])(N[6a]C[6a]){1|N<3>,1|O<1>,1|O<2>,1|S<1>,2|C<3>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O){1|S<2>,4|C<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(S[5]C[5]){1|S<1>,3|C<3>}	126.2010	0.000	1	126.2010	0.000	1	126.1500	0.109	4	123.8711	2.051	25	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:2:	3:3:	3:3:3:	C[5,6]-3:C[5,6a]-3:N[6a]-2:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(N[6a]C[6a])	N[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]N[6a])(C[5]C[5,6]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(N[6a]C[6a]){3|H<1>,4|C<3>}	N[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]N[6a])(C[5]C[5,6]C[5])(C[6a]C[6a]H){1|H<1>,1|N<3>,2|C<3>,2|S<2>}	124.7220	0.000	1	124.7220	0.000	1	125.5348	0.951	8	125.2372	0.870	126	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:2:	3:3:	3:3:3:	C[5,6]-3:C[5,6a]-3:N[6a]-2:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(N[6a]C[6a])	N[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]N[6a])(C[5]C[5,6]N)(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(N[6a]C[6a]){1|C<3>,1|N<2>,2|C<2>,2|H<1>}	N[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]N[6a])(C[5]C[5,6]N)(C[6a]C[6a]H){1|C<2>,1|C<3>,1|H<1>,1|N<2>}	125.5730	0.000	1	125.5730	0.000	1	125.5348	0.951	8	125.2372	0.870	126	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:2:	3:3:	3:3:3:	C[5,6]-3:C[5,6a]-3:N[6a]-2:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(N[6a]C[6a])	N[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]N[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(N[6a]C[6a]){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	N[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]N[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|H<1>,1|N<3>,2|C<3>}	126.1735	0.899	2	125.7838	1.367	5	125.5348	0.951	8	125.2372	0.870	126	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:2:	3:3:	3:3:3:	C[5,6]-3:C[5,6a]-3:N[6a]-2:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(N[6a]C[6a])	N[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]N[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(N[6a]C[6a]){1|O<1>,3|C<3>,3|H<1>}	N[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]N[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|H<1>,1|N<3>,2|C<3>}	126.7140	0.000	1	125.7838	1.367	5	125.5348	0.951	8	125.2372	0.870	126	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:2:	3:3:	3:3:3:	C[5,6]-3:C[5,6a]-3:N[6a]-2:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(N[6a]C[6a])	N[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]N[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(N[6a]C[6a]){1|Pd<4>,1|O<1>,2|H<1>,3|C<3>}	N[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]N[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|H<1>,1|N<3>,2|C<3>}	125.9360	0.000	1	125.7838	1.367	5	125.5348	0.951	8	125.2372	0.870	126	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:2:	3:3:	3:3:3:	C[5,6]-3:C[5,6a]-3:N[6a]-2:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(N[6a]C[6a])	N[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]N[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(N[6a]C[6a]){1|Ru<6>,1|O<1>,2|H<1>,3|C<3>}	N[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]N[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|H<1>,1|N<3>,2|C<3>}	123.9220	0.000	1	125.7838	1.367	5	125.5348	0.951	8	125.2372	0.870	126	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:2:	3:3:	3:3:3:	C[5,6]-3:C[5,6a]-3:N[6a]-2:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]C[5])(N[6a]C[6a])	N[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]N[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]C[5])(N[6a]C[6a]){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	N[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]N[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	125.0640	0.000	1	125.0640	0.000	1	125.5348	0.951	8	125.2372	0.870	126	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:2:	3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a])	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a]){1|O<1>,3|C<3>,3|H<1>}	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|H<1>,3|C<3>}	124.9400	0.064	2	124.6207	0.308	3	125.1082	0.492	78	125.2372	0.870	126	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:2:	3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a])	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a]){1|O<1>,3|C<3>,3|H<1>}	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H){5|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){4|C<3>}	123.9820	0.000	1	124.6207	0.308	3	125.1082	0.492	78	125.2372	0.870	126	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:2:	3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a])	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]O)(C[6a]C[6a]I)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a]){1|H<1>,1|O<1>,2|I<1>,3|C<3>}	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]O)(C[6a]C[6a]I){1|H<1>,3|C<3>}	124.3300	0.000	1	124.3300	0.000	1	125.1082	0.492	78	125.2372	0.870	126	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:2:	3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a])	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]N)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]O)(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]C[6a]){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]N){1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]O)(C[6a]C[6a]2){1|N<3>,5|C<3>}	126.2420	0.000	1	126.2420	0.000	1	125.1082	0.492	78	125.2372	0.870	126	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:2:	3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a])	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a]){2|H<1>,4|C<3>}	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2){1|H<1>,1|N<2>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]H)(C[6a]C[6a]H){1|H<1>,1|N<2>,2|C<3>}	125.6470	0.000	1	125.6470	0.000	1	125.1082	0.492	78	125.2372	0.870	126	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:2:	3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a])	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]C[6])	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]C[6]){1|Ru<11>,1|H<1>,1|N<2>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]H)(C[6a]C[6a]H){1|H<1>,1|N<2>,2|C<3>}	123.8470	0.000	1	123.8470	0.000	1	125.1082	0.492	78	125.2372	0.870	126	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:2:	3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a])	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]Cl)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a]){1|Cl<1>,1|H<1>,1|O<1>,3|C<3>}	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]Cl){1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|H<1>,1|N<2>,2|C<3>}	125.5130	0.304	2	125.5130	0.092	2	125.1082	0.492	78	125.2372	0.870	126	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:2:	3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a])	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a]){2|H<1>,4|C<3>}	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){1|H<1>,1|N<2>,2|C<3>}	125.7554	0.349	7	125.7554	0.122	7	125.1082	0.492	78	125.2372	0.870	126	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:2:	3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a])	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a]){2|H<1>,4|C<3>}	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]H){1|H<1>,1|N<2>,2|C<3>,2|S<2>}	125.5643	0.453	12	125.5643	0.205	12	125.1082	0.492	78	125.2372	0.870	126	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:2:	3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a])	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]N)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a]){1|N<1>,2|H<1>,3|C<3>}	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]N)(C[6a]C[6a]H){1|H<1>,1|N<2>,2|C<3>}	124.9465	0.122	2	125.0691	0.683	26	125.1082	0.492	78	125.2372	0.870	126	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:2:	3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a])	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]N)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a]){1|N<2>,2|H<1>,3|C<3>}	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]N)(C[6a]C[6a]H){1|H<1>,1|N<2>,2|C<3>}	125.2068	0.680	20	125.0691	0.683	26	125.1082	0.492	78	125.2372	0.870	126	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:2:	3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a])	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]N)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]N)(C[6a]C[6a]H){1|H<1>,1|N<2>,2|C<3>}	124.4420	1.446	4	125.0691	0.683	26	125.1082	0.492	78	125.2372	0.870	126	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:2:	3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a])	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a]){1|O<1>,2|H<1>,3|C<3>}	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|H<1>,1|N<2>,2|C<3>}	124.7763	0.425	24	124.7763	0.181	24	125.1082	0.492	78	125.2372	0.870	126	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:2:	3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(N[6a]C[5a,6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]2)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[6a]C[5a,6a]C[6a])(C[5]C[5,6a]C)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(N[6a]C[5a,6a]){1|H<1>,1|N<3>,5|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]2){1|N<2>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[6a]C[5a,6a]C[6a])(C[5]C[5,6a]C){6|C<3>}	127.2010	0.000	1	127.2010	0.000	1	126.2502	0.536	6	125.2372	0.870	126	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:2:	3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(N[6a]C[5a,6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]2)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[6a]C[5a,6a]C[6a])(C[5]C[5,6a]O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(N[6a]C[5a,6a]){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]2){1|H<1>,1|N<3>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[6a]C[5a,6a]C[6a])(C[5]C[5,6a]O){6|C<3>}	127.0450	0.000	1	126.0600	0.399	5	126.2502	0.536	6	125.2372	0.870	126	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:2:	3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(N[6a]C[5a,6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]2)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[6a]C[5a,6a]C[6a])(C[5]C[5,6a]O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(N[6a]C[5a,6a]){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]2){1|N<2>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[6a]C[5a,6a]C[6a])(C[5]C[5,6a]O){6|C<3>}	125.8137	0.358	4	126.0600	0.399	5	126.2502	0.536	6	125.2372	0.870	126	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:2:	3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[5,6a]C[5,6a]2)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[6a]C[6a,6a]H)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(N[6a]C[6a,6a]){1|C<4>,1|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[5,6a]C[5,6a]2){7|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[6a]C[6a,6a]H){1|H<1>,5|C<3>}	124.9870	0.000	1	124.9870	0.000	1	124.9870	0.000	1	125.2372	0.870	126	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:2:	3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[5,6a]C[5,6a]2)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a,6a]){1|H<1>,1|O<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[5,6a]C[5,6a]2){7|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]O){6|C<3>}	125.3040	0.000	1	125.3040	0.000	1	124.6145	0.951	2	125.2372	0.870	126	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:2:	3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a,6a]){1|H<1>,1|O<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2){1|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]O){6|C<3>}	123.9250	0.000	1	123.9250	0.000	1	124.6145	0.951	2	125.2372	0.870	126	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:2:	3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[6a]-3:C[5,6a]-3:	C[5,6a]-3:C[6,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6,6a]C[5])(N[6a]C[6a])	N[6a](C[6a]C[6,6a]C[5])(C[5,6a]C[5,6a]2)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[6,6a]C[6,6a]C[6])(C[5]C[5,6a]O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6,6a]C[5])(N[6a]C[6a]){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	N[6a](C[6a]C[6,6a]C[5])(C[5,6a]C[5,6a]2){1|C<4>,1|N<3>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[6,6a]C[6,6a]C[6])(C[5]C[5,6a]O){2|C<4>,2|H<1>,3|C<3>}	124.8160	0.000	1	124.8160	0.000	1	124.8160	0.000	1	125.2372	0.870	126	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:2:	3:3:	3:3:3:	C[5,6a]-3:C[5]-3:N[6a]-2:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(N[6a]C[6a])	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(N[6a]C[6a]){1|N<2>,2|C<3>,2|H<1>}	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]C[5])(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	124.4400	0.356	2	124.4400	0.127	2	124.1602	1.511	5	125.2372	0.870	126	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:2:	3:3:	3:3:3:	C[5,6a]-3:C[5]-3:N[6a]-2:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6])(N[6a]C[6a])	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6])(N[6a]C[6a]){1|N<2>,2|H<1>,4|C<3>}	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]C[5])(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	123.0300	0.560	2	123.0300	0.314	2	124.1602	1.511	5	125.2372	0.870	126	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:2:	3:3:	3:3:3:	C[5,6a]-3:C[5]-3:N[6a]-2:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(N[6a]C[6a])	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(N[6a]C[6a]){1|H<1>,4|C<3>}	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2){1|H<1>,1|O<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	125.8610	0.000	1	125.8610	0.000	1	124.1602	1.511	5	125.2372	0.870	126	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:2:	3:3:	3:3:3:	C[5,6a]-3:N[5,6]-3:N[6a]-2:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]C[6])(N[6a]C[6a])	N[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6]N[6a])(C[6a]C[6a]H)(N[5]C[5,6]H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]C[6])(N[6a]C[6a]){1|C<4>,3|C<3>,3|H<1>}	N[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H){1|Br<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]N[5,6]N[6a])(C[6a]C[6a]H)(N[5]C[5,6]H){1|Br<1>,3|C<3>}	126.7740	0.000	1	126.7740	0.000	1	126.7740	0.000	1	125.2372	0.870	126	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:2:	3:3:	3:3:3:	C[5,6a]-3:N[5]-3:N[6a]-2:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]Co)(N[6a]C[6a])	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]H)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]Co)(N[6a]C[6a]){1|N<2>,1|N<3>,3|H<1>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]H){1|Co<6>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(N[5]C[5]H){1|Co<6>,1|C<3>,1|H<1>}	124.8593	0.437	4	124.8593	0.191	4	125.5299	1.823	20	125.2372	0.870	126	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:2:	3:3:	3:3:3:	C[5,6a]-3:N[5]-3:N[6a]-2:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]Co)(N[6a]C[6a])	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]S)(N[5]C[5]Co)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]Co)(N[6a]C[6a]){1|Co<6>,1|H<1>,1|N<2>,1|N<3>,1|S<2>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N){1|Co<6>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]S)(N[5]C[5]Co){1|Co<6>,1|C<3>,1|H<1>}	122.7420	0.020	2	122.7420	0.000	2	125.5299	1.823	20	125.2372	0.870	126	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:2:	3:3:	3:3:3:	C[5,6a]-3:N[5]-3:N[6a]-2:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]Pt)(N[6a]C[6a])	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]Pt)(N[6a]C[6a]){1|C<4>,1|H<1>,1|O<1>,2|N<3>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C){1|Pt<4>,1|C<3>,2|H<1>}	126.5892	0.518	5	126.5892	0.269	5	125.5299	1.823	20	125.2372	0.870	126	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:2:	3:3:	3:3:3:	C[5,6a]-3:N[5]-3:N[6a]-2:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]Pt)(N[6a]C[6a])	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]Pt)(N[6a]C[6a]){1|O<1>,2|H<1>,2|N<3>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]H){1|Pt<4>,1|C<3>,2|H<1>}	126.2343	0.683	3	126.2343	0.466	3	125.5299	1.823	20	125.2372	0.870	126	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:2:	3:3:	3:3:3:	C[5,6a]-3:N[5]-3:N[6a]-2:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]Pt)(N[6a]C[6a])	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]Pt)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]Pt)(N[6a]C[6a]){1|Pt<4>,1|H<1>,1|O<1>,2|N<3>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]Pt){1|Pt<4>,1|C<3>,2|H<1>}	123.7420	0.000	1	123.7420	0.000	1	125.5299	1.823	20	125.2372	0.870	126	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:2:	3:3:	3:3:3:	C[5,6a]-3:N[5]-3:N[6a]-2:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]Re)(N[6a]C[6a])	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]Re)(N[6a]C[6a]){1|C<4>,1|H<1>,1|O<1>,2|N<3>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N){1|Re<6>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C){1|Re<6>,1|C<3>,2|H<1>}	126.6843	0.203	3	126.6843	0.041	3	125.5299	1.823	20	125.2372	0.870	126	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:2:	3:3:	3:3:3:	C[5,6a]-3:N[5]-3:N[6a]-2:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]Ru)(N[6a]C[6a])	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]H)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]Ru)(N[6a]C[6a]){1|N<3>,1|O<1>,3|H<1>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]H){1|Ru<9>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]H){1|Ru<9>,1|C<3>,2|H<1>}	125.1370	0.000	1	125.1370	0.000	1	125.5299	1.823	20	125.2372	0.870	126	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:2:	3:3:	3:3:3:	C[5,6a]-3:N[5]-3:N[6a]-2:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]Zn)(N[6a]C[6a])	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]H)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]Zn)(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,2|H<1>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]H){1|Zn<4>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(N[5]C[5]C){1|Zn<4>,1|C<3>,1|H<1>}	125.0950	0.000	1	125.0950	0.000	1	125.5299	1.823	20	125.2372	0.870	126	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:2:	3:3:	3:3:3:	C[5,6a]-3:N[5]-3:N[6a]-2:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,5]C[6a])(N[5]C[5,5]C)(N[6a]C[6a])	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]H)	C[5,6a](C[5,6a]N[6a]N[5])(N[5,5]C[5,5]C[5])(C[6a]N[6a]Cl)	C[5,6a](C[5,6a]N[5,5]C[6a])(N[5]C[5,5]C)(N[6a]C[6a]){1|Cl<1>,1|N<2>,2|C<4>,2|H<1>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]H){1|C<4>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]N[6a]N[5])(N[5,5]C[5,5]C[5])(C[6a]N[6a]Cl){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	125.6150	0.308	4	125.6150	0.095	4	125.6150	0.095	4	125.2372	0.870	126	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:2:	3:3:	3:3:4:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[5,6a]C[5,6a]2)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]HH)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a,6a]){3|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[5,6a]C[5,6a]2){1|C<4>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]HH){6|C<3>}	124.7240	0.000	1	124.7240	0.000	1	125.6519	0.585	10	125.6404	0.528	11	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:2:	3:3:	3:3:4:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]HH)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a,6a]){3|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2){1|C<4>,1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]HH){6|C<3>}	125.1130	0.581	4	125.1130	0.338	4	125.6519	0.585	10	125.6404	0.528	11	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:2:	3:3:	3:3:4:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]N[5,6a]C[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[6a]C[6a,6a]C)(C[5]N[5,6a]HH)	C[5,6a](C[5,6a]N[5,6a]C[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a,6a]){1|C<4>,3|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[6a]C[6a,6a]C)(C[5]N[5,6a]HH){4|C<3>}	126.0980	0.477	2	126.0980	0.227	2	125.6519	0.585	10	125.6404	0.528	11	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:2:	3:3:	3:3:4:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]N[5,6a]C[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[6a]C[6a,6a]H)(C[5]N[5,6a]HH)	C[5,6a](C[5,6a]N[5,6a]C[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a,6a]){4|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[6a]C[6a,6a]H)(C[5]N[5,6a]HH){4|C<3>}	126.3720	0.008	2	126.3823	0.000	3	125.6519	0.585	10	125.6404	0.528	11	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:2:	3:3:	3:3:4:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]N[5,6a]C[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[6a]C[6a,6a]H)(C[5]N[5,6a]HH)	C[5,6a](C[5,6a]N[5,6a]C[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a,6a]){4|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2){1|C<4>,1|N<3>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[6a]C[6a,6a]H)(C[5]N[5,6a]HH){4|C<3>}	126.4030	0.000	1	126.3823	0.000	3	125.6519	0.585	10	125.6404	0.528	11	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:2:	3:3:	3:3:4:	C[5,6a]-3:N[5]-3:N[6a]-2:	C[6a,6a]-3:C[5,6a]-3:	C[6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[5])	C[5,6a](C[6a]C[6a,6a]C[6a])(C[5,6a]N[6a]N[5])(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(N[6a]C[6a,6a]){4|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[5]){1|H<1>,2|C<4>,4|C<3>}	C[5,6a](C[6a]C[6a,6a]C[6a])(C[5,6a]N[6a]N[5])(C[5]C[5]HH){2|H<1>,5|C<3>}	125.5250	0.000	1	125.5250	0.000	1	125.5250	0.000	1	125.6404	0.528	11	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:2:	3:3:	3:4:2:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5]-4:N[6a]-2:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]C[5])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]C[6a]2)(N[6a]C[6a,6a])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]C[5])(N[6a]C[6a,6a]){1|H<1>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]C[6a]2)(N[6a]C[6a,6a]){8|C<3>}	123.7620	0.000	1	123.7620	0.000	1	123.5500	0.090	2	123.5500	0.090	2	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:2:	3:3:	3:4:2:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5]-4:N[6a]-2:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]C[5])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]HH)(N[6a]C[6a,6a])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]C[5])(N[6a]C[6a,6a]){3|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2){1|C<2>,1|C<4>,1|N<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]HH)(N[6a]C[6a,6a]){4|C<3>}	123.3380	0.000	1	123.3380	0.000	1	123.5500	0.090	2	123.5500	0.090	2	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:2:	3:3:	3:4:3:	C[5,6]-3:C[5,6a]-3:N[6a]-2:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(N[6a]C[6a])	N[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]N[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(N[6a]C[6a]){1|Pd<4>,2|C<4>,2|H<1>,3|C<3>}	N[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]N[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H){1|H<1>,1|N<3>,2|C<3>}	125.8440	0.000	1	125.8440	0.000	1	126.2867	0.334	3	125.2002	0.591	31	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:2:	3:3:	3:4:3:	C[5,6]-3:C[5,6a]-3:N[6a]-2:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(N[6a]C[6a])	N[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]N[6a])(C[5]C[5,6]PdH)(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(N[6a]C[6a]){2|Pd<4>,3|C<3>,3|H<1>}	N[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]N[6a])(C[5]C[5,6]PdH)(C[6a]C[6a]H){1|H<1>,1|N<3>,2|C<3>}	126.9410	0.000	1	126.9410	0.000	1	126.2867	0.334	3	125.2002	0.591	31	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:2:	3:3:	3:4:3:	C[5,6]-3:C[5,6a]-3:N[6a]-2:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(N[6a]C[6a])	N[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]N[6a])(C[5]C[5,6]RhC)(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(N[6a]C[6a]){2|Rh<4>,1|C<4>,2|H<1>,3|C<3>}	N[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]N[6a])(C[5]C[5,6]RhC)(C[6a]C[6a]H){1|H<1>,1|N<3>,2|C<3>}	126.0750	0.000	1	126.0750	0.000	1	126.2867	0.334	3	125.2002	0.591	31	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:2:	3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[3,5]C[6a])(N[6a]C[6a])	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[3,5]C[5,6a]C[3]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[3,5]C[6a])(N[6a]C[6a]){2|C<4>,2|H<1>,3|C<3>}	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[3,5]C[5,6a]C[3]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,5|H<1>}	124.9130	0.143	2	124.9130	0.020	2	124.9130	0.020	2	125.2002	0.591	31	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:2:	3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[5,5]C[6a])(N[6a]C[6a])	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[5,5]C[6a])(N[6a]C[6a]){2|H<1>,5|C<3>}	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H){1|H<1>,1|N<2>,6|C<3>}	125.1025	0.546	4	125.1025	0.298	4	125.1025	0.298	4	125.2002	0.591	31	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:2:	3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a])	N[6a](C[5,6a]C[5,6a]2)(C[6a]N[6a]H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]C[6a]H)(C[6a]N[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a]){1|N<2>,3|C<3>,4|H<1>}	N[6a](C[5,6a]C[5,6a]2)(C[6a]N[6a]H){1|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]C[6a]H)(C[6a]N[6a]H){5|C<3>}	123.6365	0.668	2	123.6365	0.447	2	125.1616	0.508	21	125.2002	0.591	31	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:2:	3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a])	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]C[5]H)(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	125.9742	0.400	4	125.9742	0.160	4	125.1616	0.508	21	125.2002	0.591	31	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:2:	3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a])	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a]){3|H<1>,4|C<3>}	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){1|H<1>,1|N<2>,2|C<3>}	125.2820	0.000	1	125.2820	0.000	1	125.1616	0.508	21	125.2002	0.591	31	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:2:	3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a])	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]C[6])	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a]){1|C<4>,3|C<3>,3|H<1>}	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]C[6]){1|Ru<11>,1|H<1>,1|N<2>,2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){1|H<1>,1|N<2>,2|C<3>}	125.2560	0.000	1	125.2560	0.000	1	125.1616	0.508	21	125.2002	0.591	31	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:2:	3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a])	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a]){2|C<4>,2|H<1>,3|C<3>}	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|H<1>,1|N<2>,2|C<3>}	125.3357	0.166	4	125.3357	0.028	4	125.1616	0.508	21	125.2002	0.591	31	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:2:	3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a])	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a]){1|C<4>,3|C<3>,3|H<1>}	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H){1|H<1>,1|N<2>,2|C<3>}	125.0085	0.292	2	125.0085	0.085	2	125.1616	0.508	21	125.2002	0.591	31	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:2:	3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a])	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a]){2|H<1>,5|C<3>}	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,6|C<3>}	125.3310	0.000	1	125.3310	0.000	1	125.1616	0.508	21	125.2002	0.591	31	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:2:	3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a])	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]C[6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a]){1|O<2>,2|H<1>,4|C<3>}	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]C[6a]O)(C[6a]C[6a]H){1|H<1>,1|N<2>,4|C<3>}	124.9990	0.528	6	124.9990	0.278	6	125.1616	0.508	21	125.2002	0.591	31	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:2:	3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(N[6a]C[6a])	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(P[5]C[5,6a]C[6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(N[6a]C[6a]){1|O<1>,3|H<1>,4|C<3>}	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H){1|H<1>,1|P<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(P[5]C[5,6a]C[6a]O)(C[6a]C[6a]H){1|H<1>,5|C<3>}	123.7160	0.000	1	123.7160	0.000	1	123.7160	0.000	1	125.2002	0.591	31	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:2:	3:3:	4:3:2:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[6a,6a]-3:C[5,6a]-3:	C[5,5]-4:C[5,6a]-3:N[6a]-2:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]N[6a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)	C[5,6a](C[5,5]C[5,6a]C[3,5]N[5,5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]N[6a])(N[6a]C[6a,6a]){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[5,6a](C[5,5]C[5,6a]C[3,5]N[5,5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a]){4|C<4>,5|C<3>}	124.1360	0.000	1	124.1360	0.000	1	123.7018	0.132	24	123.5871	0.264	27	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:2:	3:3:	4:3:2:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[6a,6a]-3:C[5,6a]-3:	C[5,5]-4:C[5,6a]-3:N[6a]-2:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]N[6a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)	C[5,6a](C[5,5]C[5,6a]C[3,5]N[5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]N[6a])(N[6a]C[6a,6a]){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[5,6a](C[5,5]C[5,6a]C[3,5]N[5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a]){2|C<4>,6|C<3>}	123.4435	0.062	2	123.4435	0.004	2	123.7018	0.132	24	123.5871	0.264	27	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:2:	3:3:	4:3:2:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[6a,6a]-3:C[5,6a]-3:	C[5,5]-4:C[5,6a]-3:N[6a]-2:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]N[6a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)	C[5,6a](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]N[6a])(N[6a]C[6a,6a]){1|H<1>,2|C<4>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a]){1|C<4>,1|H<1>,1|N<3>,7|C<3>}	123.6715	0.105	2	123.6715	0.011	2	123.7018	0.132	24	123.5871	0.264	27	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:2:	3:3:	4:3:2:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[6a,6a]-3:C[5,6a]-3:	C[5,5]-4:C[5,6a]-3:N[6a]-2:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]N[6a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)	C[5,6a](C[5,5]C[5,6a]C[5,5]N[5,5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]N[6a])(N[6a]C[6a,6a]){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5,5]N[5,5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a]){3|C<4>,6|C<3>}	123.9540	0.000	1	123.9540	0.000	1	123.7018	0.132	24	123.5871	0.264	27	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:2:	3:3:	4:3:2:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[6a,6a]-3:C[5,6a]-3:	C[5,5]-4:C[5,6a]-3:N[6a]-2:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]N[6a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)	C[5,6a](C[5,5]C[5,6a]C[5,6]N[5,5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]N[6a])(N[6a]C[6a,6a]){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5,6]N[5,5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a]){1|H<1>,3|C<4>,5|C<3>}	123.9610	0.283	2	123.9610	0.080	2	123.7018	0.132	24	123.5871	0.264	27	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:2:	3:3:	4:3:2:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[6a,6a]-3:C[5,6a]-3:	C[5,5]-4:C[5,6a]-3:N[6a]-2:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]N[6a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)	C[5,6a](C[5,5]C[5,6a]C[5,6]N[5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]N[6a])(N[6a]C[6a,6a]){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5,6]N[5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a]){4|C<4>,5|C<3>}	124.1130	0.031	2	124.1130	0.001	2	123.7018	0.132	24	123.5871	0.264	27	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:2:	3:3:	4:3:2:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[6a,6a]-3:C[5,6a]-3:	C[5,5]-4:C[5,6a]-3:N[6a]-2:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]N[6a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]N[6a])(N[6a]C[6a,6a]){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a]){1|H<1>,3|C<4>,5|C<3>}	123.4573	0.134	3	123.4307	0.127	6	123.7018	0.132	24	123.5871	0.264	27	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:2:	3:3:	4:3:2:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[6a,6a]-3:C[5,6a]-3:	C[5,5]-4:C[5,6a]-3:N[6a]-2:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]N[6a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]N[6a])(N[6a]C[6a,6a]){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a]){1|N<3>,3|C<4>,5|C<3>}	123.9020	0.000	1	123.4307	0.127	6	123.7018	0.132	24	123.5871	0.264	27	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:2:	3:3:	4:3:2:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[6a,6a]-3:C[5,6a]-3:	C[5,5]-4:C[5,6a]-3:N[6a]-2:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]N[6a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]N[6a])(N[6a]C[6a,6a]){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a]){2|C<4>,2|H<1>,5|C<3>}	123.1550	0.471	2	123.4307	0.127	6	123.7018	0.132	24	123.5871	0.264	27	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:2:	3:3:	4:3:2:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[6a,6a]-3:C[5,6a]-3:	C[5,5]-4:C[5,6a]-3:N[6a]-2:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]N[6a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)	C[5,6a](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]N[6a])(N[6a]C[6a,6a]){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[5,6a](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a]){1|C<2>,3|C<4>,5|C<3>}	122.9210	0.000	1	123.7240	0.145	8	123.7018	0.132	24	123.5871	0.264	27	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:2:	3:3:	4:3:2:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[6a,6a]-3:C[5,6a]-3:	C[5,5]-4:C[5,6a]-3:N[6a]-2:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]N[6a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)	C[5,6a](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]N[6a])(N[6a]C[6a,6a]){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[5,6a](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a]){1|H<1>,3|C<4>,5|C<3>}	123.8530	0.231	6	123.7240	0.145	8	123.7018	0.132	24	123.5871	0.264	27	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:2:	3:3:	4:3:2:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[6a,6a]-3:C[5,6a]-3:	C[5,5]-4:C[5,6a]-3:N[6a]-2:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]N[6a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)	C[5,6a](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]N[6a])(N[6a]C[6a,6a]){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[5,6a](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a]){1|H<1>,4|C<3>,4|C<4>}	123.7530	0.000	1	123.7240	0.145	8	123.7018	0.132	24	123.5871	0.264	27	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:2:	3:3:	4:3:2:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[6a,6a]-3:C[5,6a]-3:	C[5,6]-4:C[5,6a]-3:N[6a]-2:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]N[6a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)	C[5,6a](C[5,6]C[5,6a]C[5a,6]C[6])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]N[6a])(N[6a]C[6a,6a]){1|H<1>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[5,6a](C[5,6]C[5,6a]C[5a,6]C[6])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a]){1|C<2>,7|C<3>}	123.4340	0.000	1	123.4340	0.000	1	123.4340	0.000	1	123.5871	0.264	27	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:2:	3:3:	4:3:2:	C[5,6a]-3:C[5]-3:N[6a]-2:	C[5,6a]-3:C[6a]-3:	C[3,5]-4:C[5,6a]-3:N[6a]-2:	C[5,6a](C[5,6a]C[3,5]N[6a])(C[5]C[6a]C[5])(N[6a]C[6a])	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[3,5]C[3,6]2C[5])(C[5,6a]N[6a]C[5])(N[6a]C[6a])	C[5,6a](C[5,6a]C[3,5]N[6a])(C[5]C[6a]C[5])(N[6a]C[6a]){2|C<4>,2|H<1>,3|C<3>}	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[3,5]C[3,6]2C[5])(C[5,6a]N[6a]C[5])(N[6a]C[6a]){2|C<3>,2|C<4>,4|H<1>}	122.2870	0.298	2	122.2870	0.089	2	122.2870	0.089	2	123.5871	0.264	27	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:3:2:	3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[5,6]C[6a])(N[6a]C[6a])	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6a]C[6,6a]2)(C[5,6a]C[5,6a]N[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[5,6]C[6a])(N[6a]C[6a]){2|H<1>,5|C<3>}	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6]C[5,6a]C[6,6a]2)(C[5,6a]C[5,6a]N[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,6|C<3>}	125.3552	0.428	6	125.3552	0.184	6	125.3552	0.184	6	125.3552	0.184	6	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:4:2:	3:3:	3:2:3:	C[5,6a]-3:C[5]-4:N[6a]-2:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:N[6a]-2:C[5]-3:	C[5,6a](C[5,6a]N[6a]C[5])(C[5]N[5]HO)(N[6a]C[6a])	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[6a]C[5])(N[6a]C[6a])(C[5]N[5]O)	C[5,6a](C[5,6a]N[6a]C[5])(C[5]N[5]HO)(N[6a]C[6a]){1|H<1>,1|O<1>,2|C<3>}	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,1|O<2>,2|H<1>}	C[5,6a](C[5,6a]N[6a]C[5])(N[6a]C[6a])(C[5]N[5]O){1|O<2>,2|C<3>,2|H<1>}	124.1010	0.371	3	124.1010	0.137	3	124.1010	0.137	3	124.1010	0.137	3	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:4:2:	3:3:	3:3:2:	C[5,6a]-3:C[5]-4:N[6a]-2:	C[6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]C[6a]2)(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]C[5])(N[6a]C[6a,6a])	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]C[6a]2)(N[6a]C[6a,6a]){8|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5]){1|H<1>,1|N<2>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]C[5])(N[6a]C[6a,6a]){1|H<1>,6|C<3>}	123.2880	0.000	1	123.2880	0.000	1	123.5780	0.168	2	124.0657	0.798	3	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:4:2:	3:3:	3:3:2:	C[5,6a]-3:C[5]-4:N[6a]-2:	C[6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]HH)(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]C[5])(N[6a]C[6a,6a])	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]HH)(N[6a]C[6a,6a]){4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5]){1|C<2>,1|N<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]C[5])(N[6a]C[6a,6a]){3|H<1>,4|C<3>}	123.8680	0.000	1	123.8680	0.000	1	123.5780	0.168	2	124.0657	0.798	3	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:4:2:	3:3:	3:3:2:	C[5,6a]-3:P[5]-4:N[6a]-2:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(P[5]C[6a]C[5]Rh)(N[6a]C[6a])	N[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[6a]P[5])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(P[5]C[6a]C[5]Rh)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	N[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H){1|Rh<6>,1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]N[6a]P[5])(C[6a]C[6a]H)(N[5]C[5]){1|Rh<6>,1|C<4>,1|H<1>,2|C<3>}	125.0410	0.000	1	125.0410	0.000	1	125.0410	0.000	1	124.0657	0.798	3	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:4:2:	3:3:	3:3:3:	C[5,6a]-3:C[5]-4:N[6a]-2:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]HH)(N[6a]C[6a])	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]HH)(N[6a]C[6a]){1|C<3>,1|O<1>,4|H<1>}	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,5|H<1>}	124.3120	0.000	1	124.3120	0.000	1	124.8570	0.594	2	125.1522	0.503	6	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:4:2:	3:3:	3:3:3:	C[5,6a]-3:C[5]-4:N[6a]-2:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]O[5]CH)(N[6a]C[6a])	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]O[5]CH)(N[6a]C[6a]){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O){1|H<1>,2|O<2>,3|C<3>}	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|H<1>,1|O<2>,2|C<3>}	125.4020	0.000	1	125.4020	0.000	1	124.8570	0.594	2	125.1522	0.503	6	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:4:2:	3:3:	3:3:3:	C[5,6a]-3:C[5]-4:N[6a]-2:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(N[6a]C[6a])	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(N[6a]C[6a]){4|C<3>,4|H<1>}	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H){1|C<2>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<2>,2|H<1>,3|C<3>}	125.8050	0.171	2	125.8050	0.029	2	125.8050	0.029	2	125.1522	0.503	6	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:4:2:	3:3:	3:3:3:	C[5,6a]-3:P[5]-4:N[6a]-2:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a]O)(N[6a]C[6a])	N[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]P[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a]O)(N[6a]C[6a]){2|H<1>,5|C<3>}	N[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]P[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	124.7945	0.780	2	124.7945	0.608	2	124.7945	0.608	2	125.1522	0.503	6	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:4:2:	3:3:	3:3:4:	C[5,6a]-3:C[5]-4:N[6a]-2:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]HH)(N[6a]C[6a])	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HN)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]HH)(N[6a]C[6a]){1|N<3>,2|C<3>,4|H<1>}	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HN){1|C<3>,1|O<2>,4|H<1>}	123.2880	0.078	2	123.2880	0.006	2	125.1309	0.547	22	125.0583	0.643	23	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:4:2:	3:3:	3:3:4:	C[5,6a]-3:C[5]-4:N[6a]-2:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]HH)(N[6a]C[6a])	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]HH)(N[6a]C[6a]){1|N<3>,2|C<3>,4|H<1>}	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N){1|C<2>,1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|C<2>,3|C<3>,4|H<1>}	126.2280	0.000	1	126.2280	0.000	1	125.1309	0.547	22	125.0583	0.643	23	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:4:2:	3:3:	3:3:4:	C[5,6a]-3:C[5]-4:N[6a]-2:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]HH)(N[6a]C[6a])	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]HH)(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){1|C<3>,5|H<1>}	125.5560	0.000	1	125.5560	0.000	1	125.1309	0.547	22	125.0583	0.643	23	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:4:2:	3:3:	3:3:4:	C[5,6a]-3:C[5]-4:N[6a]-2:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]HH)(N[6a]C[6a])	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]N[6a]N)	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]N[6a]C)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]HH)(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]N[6a]N){1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]N[6a]C)(C[5]C[5]HH){2|H<1>,3|C<3>}	124.7030	0.000	1	124.7030	0.000	1	125.1309	0.547	22	125.0583	0.643	23	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:4:2:	3:3:	3:3:4:	C[5,6a]-3:C[5]-4:N[6a]-2:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]HH)(N[6a]C[6a])	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]N[6a]S)	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]N[6a]O)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]HH)(N[6a]C[6a]){1|N<2>,1|O<2>,1|S<2>,4|H<1>}	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]N[6a]S){1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]N[6a]O)(C[5]C[5]HH){1|C<3>,4|H<1>}	124.5365	0.155	2	124.5365	0.024	2	125.1309	0.547	22	125.0583	0.643	23	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:4:2:	3:3:	3:3:4:	C[5,6a]-3:C[5]-4:N[6a]-2:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]HO)(N[6a]C[6a])	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]HO)(N[6a]C[6a]){1|C<3>,6|H<1>}	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|O<2>,4|H<1>}	125.6400	0.000	1	125.6400	0.000	1	125.1309	0.547	22	125.0583	0.643	23	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:4:2:	3:3:	3:3:4:	C[5,6a]-3:C[5]-4:N[6a]-2:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]HO)(N[6a]C[6a])	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]HO)(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){1|C<3>,1|O<2>,4|H<1>}	125.3646	0.324	14	125.3646	0.105	14	125.1309	0.547	22	125.0583	0.643	23	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:4:2:	3:3:	3:3:4:	C[5,6a]-3:C[5]-4:N[6a]-2:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a](C[5,6a]C[6a]S[5])(C[5]O[5]CC)(N[6a]C[6a])	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]N[6a]N)	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]N[6a]H)(S[5]O[5]OO)	C[5,6a](C[5,6a]C[6a]S[5])(C[5]O[5]CC)(N[6a]C[6a]){1|H<1>,2|N<2>,2|O<1>}	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]N[6a]N){1|C<3>,1|O<2>,1|S<4>,2|C<4>}	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]N[6a]H)(S[5]O[5]OO){1|C<3>,2|C<4>}	123.4620	0.000	1	123.4620	0.000	1	123.4620	0.000	1	125.0583	0.643	23	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:4:2:	3:3:	3:4:2:	C[5,6a]-3:C[5]-4:N[6a]-2:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:N[6a]-2:	C[5,6a](C[5,6a]N[6a]C[5])(C[5]N[5]HH)(N[6a]C[6a])	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)	C[5,6a](C[5,6a]N[6a]C[5])(C[5]N[5]HH)(N[6a]C[6a])	C[5,6a](C[5,6a]N[6a]C[5])(C[5]N[5]HH)(N[6a]C[6a]){1|C<4>,2|C<3>,2|H<1>}	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C){1|N<2>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]N[6a]C[5])(C[5]N[5]HH)(N[6a]C[6a]){1|C<4>,2|C<3>,2|H<1>}	122.9735	0.299	2	122.9735	0.089	2	122.9735	0.089	2	122.9735	0.089	2	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:4:2:	3:3:	4:3:3:	C[5,6a]-3:C[5]-4:N[6a]-2:	C[5,6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[5,6]HH)(N[6a]C[6a])	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)	C[5,6a](C[5,5,6]C[5,6]2C[5])(C[5,6a]N[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[5,6]HH)(N[6a]C[6a]){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,5,6]C[5,6]2C[5])(C[5,6a]N[6a]C[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,7|H<1>}	124.7100	0.000	1	124.7100	0.000	1	124.7100	0.000	1	124.5410	0.057	2	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	3:4:2:	3:3:	4:3:3:	C[5,6a]-3:C[5]-4:N[6a]-2:	C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(N[6a]C[6a])	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]N[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(N[6a]C[6a]){1|C<4>,3|C<3>,3|H<1>}	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]N[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	124.3720	0.000	1	124.3720	0.000	1	124.3720	0.000	1	124.5410	0.057	2	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	4:3:2:	3:3:	3:3:2:	C[3,5]-4:C[5,6a]-3:N[6a]-2:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:N[6a]-2:	C[5,6a](C[3,5]C[3,6]2C[5])(C[5,6a]N[6a]C[5])(N[6a]C[6a])	N[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[3,5]N[6a])(C[5]C[6a]C[5])(N[6a]C[6a])	C[5,6a](C[3,5]C[3,6]2C[5])(C[5,6a]N[6a]C[5])(N[6a]C[6a]){2|C<3>,2|C<4>,4|H<1>}	N[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[3,5]N[6a])(C[5]C[6a]C[5])(N[6a]C[6a]){2|C<4>,2|H<1>,3|C<3>}	123.8015	0.136	2	123.8015	0.019	2	123.8015	0.019	2	123.5776	0.167	27	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	4:3:2:	3:3:	3:3:2:	C[5,5]-4:C[5,6a]-3:N[6a]-2:	C[6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a](C[5,5]C[5,6a]C[3,5]N[5,5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5,5])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]N[6a])(N[6a]C[6a,6a])	C[5,6a](C[5,5]C[5,6a]C[3,5]N[5,5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a]){4|C<4>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5,5]){1|C<4>,1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]N[6a])(N[6a]C[6a,6a]){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	123.2910	0.000	1	123.2910	0.000	1	123.5750	0.177	24	123.5776	0.167	27	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	4:3:2:	3:3:	3:3:2:	C[5,5]-4:C[5,6a]-3:N[6a]-2:	C[6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a](C[5,5]C[5,6a]C[3,5]N[5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5,5])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]N[6a])(N[6a]C[6a,6a])	C[5,6a](C[5,5]C[5,6a]C[3,5]N[5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a]){2|C<4>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5,5]){1|C<4>,1|H<1>,2|N<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]N[6a])(N[6a]C[6a,6a]){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	124.0820	0.091	2	124.0820	0.008	2	123.5750	0.177	24	123.5776	0.167	27	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	4:3:2:	3:3:	3:3:2:	C[5,5]-4:C[5,6a]-3:N[6a]-2:	C[6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5,5])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]N[6a])(N[6a]C[6a,6a])	C[5,6a](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a]){1|C<4>,1|H<1>,1|N<3>,7|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5,5]){1|H<1>,1|N<2>,2|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]N[6a])(N[6a]C[6a,6a]){1|H<1>,2|C<4>,4|C<3>}	123.4195	0.364	2	123.4195	0.133	2	123.5750	0.177	24	123.5776	0.167	27	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	4:3:2:	3:3:	3:3:2:	C[5,5]-4:C[5,6a]-3:N[6a]-2:	C[6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a](C[5,5]C[5,6a]C[5,5]N[5,5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5,5])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]N[6a])(N[6a]C[6a,6a])	C[5,6a](C[5,5]C[5,6a]C[5,5]N[5,5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a]){3|C<4>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5,5]){1|C<4>,1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]N[6a])(N[6a]C[6a,6a]){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	123.1670	0.000	1	123.1670	0.000	1	123.5750	0.177	24	123.5776	0.167	27	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	4:3:2:	3:3:	3:3:2:	C[5,5]-4:C[5,6a]-3:N[6a]-2:	C[6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a](C[5,5]C[5,6a]C[5,6]N[5,5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5,5])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]N[6a])(N[6a]C[6a,6a])	C[5,6a](C[5,5]C[5,6a]C[5,6]N[5,5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a]){1|H<1>,3|C<4>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5,5]){1|C<4>,1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]N[6a])(N[6a]C[6a,6a]){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	123.5695	0.132	2	123.5695	0.017	2	123.5750	0.177	24	123.5776	0.167	27	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	4:3:2:	3:3:	3:3:2:	C[5,5]-4:C[5,6a]-3:N[6a]-2:	C[6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a](C[5,5]C[5,6a]C[5,6]N[5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5,5])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]N[6a])(N[6a]C[6a,6a])	C[5,6a](C[5,5]C[5,6a]C[5,6]N[5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a]){4|C<4>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5,5]){1|C<4>,1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]N[6a])(N[6a]C[6a,6a]){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	122.9165	0.122	2	122.9165	0.015	2	123.5750	0.177	24	123.5776	0.167	27	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	4:3:2:	3:3:	3:3:2:	C[5,5]-4:C[5,6a]-3:N[6a]-2:	C[6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5,5])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]N[6a])(N[6a]C[6a,6a])	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a]){1|H<1>,3|C<4>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5,5]){1|C<4>,1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]N[6a])(N[6a]C[6a,6a]){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	123.8540	0.137	3	123.6037	0.132	6	123.5750	0.177	24	123.5776	0.167	27	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	4:3:2:	3:3:	3:3:2:	C[5,5]-4:C[5,6a]-3:N[6a]-2:	C[6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5,5])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]N[6a])(N[6a]C[6a,6a])	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a]){1|N<3>,3|C<4>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5,5]){1|C<4>,1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]N[6a])(N[6a]C[6a,6a]){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	122.9600	0.000	1	123.6037	0.132	6	123.5750	0.177	24	123.5776	0.167	27	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	4:3:2:	3:3:	3:3:2:	C[5,5]-4:C[5,6a]-3:N[6a]-2:	C[6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5,5])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]N[6a])(N[6a]C[6a,6a])	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a]){2|C<4>,2|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5,5]){1|C<4>,1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]N[6a])(N[6a]C[6a,6a]){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	123.5500	0.129	2	123.6037	0.132	6	123.5750	0.177	24	123.5776	0.167	27	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	4:3:2:	3:3:	3:3:2:	C[5,5]-4:C[5,6a]-3:N[6a]-2:	C[6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5,5])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]N[6a])(N[6a]C[6a,6a])	C[5,6a](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a]){1|C<2>,3|C<4>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5,5]){1|C<4>,1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]N[6a])(N[6a]C[6a,6a]){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	124.6530	0.000	1	123.7180	0.199	8	123.5750	0.177	24	123.5776	0.167	27	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	4:3:2:	3:3:	3:3:2:	C[5,5]-4:C[5,6a]-3:N[6a]-2:	C[6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5,5])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]N[6a])(N[6a]C[6a,6a])	C[5,6a](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a]){1|H<1>,3|C<4>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5,5]){1|C<4>,1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]N[6a])(N[6a]C[6a,6a]){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	123.6385	0.232	6	123.7180	0.199	8	123.5750	0.177	24	123.5776	0.167	27	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	4:3:2:	3:3:	3:3:2:	C[5,5]-4:C[5,6a]-3:N[6a]-2:	C[6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5,5])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]N[6a])(N[6a]C[6a,6a])	C[5,6a](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a]){1|H<1>,4|C<3>,4|C<4>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5,5]){1|C<4>,1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]N[6a])(N[6a]C[6a,6a]){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	123.2600	0.000	1	123.7180	0.199	8	123.5750	0.177	24	123.5776	0.167	27	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	4:3:2:	3:3:	3:3:2:	C[5,6]-4:C[5,6a]-3:N[6a]-2:	C[6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a](C[5,6]C[5,6a]C[5a,6]C[6])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5,6])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]N[6a])(N[6a]C[6a,6a])	C[5,6a](C[5,6]C[5,6a]C[5a,6]C[6])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a]){1|C<2>,7|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5,6]){1|H<1>,1|N<2>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]N[6a])(N[6a]C[6a,6a]){1|H<1>,6|C<3>}	123.1920	0.000	1	123.1920	0.000	1	123.1920	0.000	1	123.5776	0.167	27	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	4:3:2:	3:3:	3:3:3:	C[5,5]-4:C[5,6a]-3:N[6a]-2:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,5]C[5,5]C[5]Fe)(C[5,6a]C[6a]C[5])(N[6a]C[6a])	N[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]N[6a])(C[5]C[5,5]O)(C[6a]C[6a]F)	C[5,6a](C[5,5]C[5,5]C[5]Fe)(C[5,6a]C[6a]C[5])(N[6a]C[6a]){1|C<3>,1|F<1>,1|O<1>,2|C<4>,2|H<1>}	N[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H){1|Fe<10>,1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]N[6a])(C[5]C[5,5]O)(C[6a]C[6a]F){1|Fe<10>,1|C<3>,1|H<1>,2|C<4>}	125.6425	0.173	2	125.6425	0.030	2	125.6425	0.030	2	125.6633	0.481	4	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	4:3:2:	3:3:	3:3:3:	C[5,5]-4:C[5,6a]-3:N[6a]-2:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(N[6a]C[6a])	N[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]N[6a])(C[6a]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(N[6a]C[6a]){1|C<4>,1|N<3>,2|H<1>,2|O<1>,3|C<3>}	N[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]N[6a])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,1|H<1>,3|C<3>}	126.5240	0.000	1	126.5240	0.000	1	126.5240	0.000	1	125.6633	0.481	4	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	4:3:2:	3:3:	3:3:3:	C[5,6]-4:C[5,6a]-3:N[6a]-2:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6]N[5,6]C[6]C)(C[5,6a]C[6a]C[5])(N[6a]C[6a])	N[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[5,6]N[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	C[5,6a](C[5,6]N[5,6]C[6]C)(C[5,6a]C[6a]C[5])(N[6a]C[6a]){1|C<3>,1|H<1>,1|O<2>,2|C<4>,2|O<1>}	N[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]C){1|C<4>,2|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]N[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>}	124.8440	0.000	1	124.8440	0.000	1	124.8440	0.000	1	125.6633	0.481	4	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	4:3:2:	3:3:	3:3:4:	C[5,5]-4:C[5,6a]-3:N[6a]-2:	C[6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5,5])	C[5,6a](C[5,6a]C[5,5]N[6a])(C[6a]C[6a,6a]H)(C[5]C[5,5]BrH)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(N[6a]C[6a,6a]){2|Br<1>,4|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5,5]){1|Br<1>,1|H<1>,3|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,5]N[6a])(C[6a]C[6a,6a]H)(C[5]C[5,5]BrH){1|C<4>,2|H<1>,3|C<3>}	124.6807	0.933	4	124.7813	0.560	6	124.8541	0.504	7	124.8541	0.504	7	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	4:3:2:	3:3:	3:3:4:	C[5,5]-4:C[5,6a]-3:N[6a]-2:	C[6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5,5])	C[5,6a](C[5,6a]C[5,5]N[6a])(C[6a]C[6a,6a]H)(C[5]C[5,5]BrH)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(N[6a]C[6a,6a]){2|Br<1>,4|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5,5]){2|H<1>,3|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,5]N[6a])(C[6a]C[6a,6a]H)(C[5]C[5,5]BrH){1|C<4>,2|H<1>,3|C<3>}	124.9825	0.262	2	124.7813	0.560	6	124.8541	0.504	7	124.8541	0.504	7	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	4:3:2:	3:3:	3:3:4:	C[5,5]-4:C[5,6a]-3:N[6a]-2:	C[6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5,5])	C[5,6a](C[5,6a]C[5,5]N[6a])(C[6a]C[6a,6a]H)(C[5]C[5,5]HH)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(N[6a]C[6a,6a]){4|C<3>,6|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5,5]){1|Br<1>,1|H<1>,3|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,5]N[6a])(C[6a]C[6a,6a]H)(C[5]C[5,5]HH){1|C<4>,2|H<1>,3|C<3>}	125.2910	0.000	1	125.2910	0.000	1	124.8541	0.504	7	124.8541	0.504	7	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	4:3:2:	3:3:	3:4:3:	C[5,6]-4:C[5,6a]-3:N[6a]-2:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]C[5])(N[6a]C[6a])	N[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6]N[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]C[5])(N[6a]C[6a]){2|C<3>,2|C<4>,6|H<1>}	N[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]2){4|C<3>,4|C<4>}	C[5,6a](C[5,6a]C[5,6]N[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|H<1>,2|C<3>,3|C<4>}	124.7880	0.000	1	124.7880	0.000	1	124.4505	0.228	2	124.4505	0.228	2	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	4:3:2:	3:3:	3:4:3:	C[5,6]-4:C[5,6a]-3:N[6a]-2:	C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]C[5])(N[6a]C[6a])	N[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]N[6a]N)	C[5,6a](C[5,6a]C[5,6]N[6a])(C[5]C[5,6]HH)(C[6a]N[6a]H)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]C[5])(N[6a]C[6a]){1|N<2>,1|N<3>,2|C<4>,6|H<1>}	N[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]N[6a]N){1|C<3>,4|C<4>}	C[5,6a](C[5,6a]C[5,6]N[6a])(C[5]C[5,6]HH)(C[6a]N[6a]H){1|C<3>,1|H<1>,3|C<4>}	124.1130	0.000	1	124.1130	0.000	1	124.4505	0.228	2	124.4505	0.228	2	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5,6a]	N[6a]	C[5,6a]	6:3:2:	3:3:	3:4:3:	C[5x3,6x5,20x6]-6:C[5,6a]-3:N[6a]-2:	C[5,6a]-3:C[6a,6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5x3,6x5,20x6]B[5x3,5x5,20x6]3B[5x3,6x5,20x6]C[5x3,5x5,20x6])(C[5,6a]C[6a]C[5])(N[6a]C[6a,6a])	N[6a](C[5,6a]C[5x3,6x5,20x6]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])	C[5,6a](C[5,6a]C[5x3,6x5,20x6]N[6a])(C[5]B[5x3,6x5,20x6]HH)(C[6a]C[6a,6a]C)	C[5,6a](C[5x3,6x5,20x6]B[5x3,5x5,20x6]3B[5x3,6x5,20x6]C[5x3,5x5,20x6])(C[5,6a]C[6a]C[5])(N[6a]C[6a,6a]){2|C<3>,2|C<4>,5|B<6>,5|H<1>}	N[6a](C[5,6a]C[5x3,6x5,20x6]C[5,6a])(C[6a,6a]C[6a,6a]C[6a]){1|C<4>,1|C<6>,1|H<1>,3|C<3>,4|B<6>}	C[5,6a](C[5,6a]C[5x3,6x5,20x6]N[6a])(C[5]B[5x3,6x5,20x6]HH)(C[6a]C[6a,6a]C){1|C<6>,2|C<3>,5|B<6>}	127.0240	0.000	1	127.0240	0.000	1	127.0240	0.000	1	127.0240	0.000	1	125.1774	3.042	591	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6,6a]	3:2:2:	3:3:	3:3:3:	C[5a,6,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6,6a]-3:N[5a,6]-3:	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(N[5a]C[5a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6,6a]N[5a])(C[6a]N[6a]H)	C[5a,6,6a](C[5a,6a]N[5a]N[6a])(C[6,6a]N[5,6]N[6a])(N[5a,6]C[5a]B[6])	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(N[5a]C[5a])(N[6a]C[6a]){1|B<4>,1|N<2>,1|N<3>,2|H<1>}	N[6a](C[5a,6a]C[5a,6,6a]N[5a])(C[6a]N[6a]H){1|N<3>,2|C<3>}	C[5a,6,6a](C[5a,6a]N[5a]N[6a])(C[6,6a]N[5,6]N[6a])(N[5a,6]C[5a]B[6]){1|H<1>,2|C<4>,3|C<3>}	121.7370	0.000	1	121.7370	0.000	1	121.7370	0.000	1	121.7370	0.000	1	123.1235	3.845	2	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6,6a]-3:	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(N[5a]C[5a]H)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6,6a]N[5a])(C[6a]N[6a]N)	C[5a,6,6a](C[5a,6a]N[5a]N[6a])(C[5a,6]C[5a]C[6])(C[6,6a]N[6a]S[6])	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(N[5a]C[5a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|S<2>}	N[6a](C[5a,6a]C[5a,6,6a]N[5a])(C[6a]N[6a]N){1|H<1>,3|C<3>}	C[5a,6,6a](C[5a,6a]N[5a]N[6a])(C[5a,6]C[5a]C[6])(C[6,6a]N[6a]S[6]){1|C<3>,1|C<4>,4|H<1>}	124.5100	0.000	1	124.5100	0.000	1	124.5100	0.000	1	124.5100	0.000	1	123.1235	3.845	2	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:2:2:	3:2:	3:3:3:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	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])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N)(N[5a]N[5a]O)	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>}	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[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N)(N[5a]N[5a]O){1|Cl<1>,1|N<2>}	124.4310	0.358	2	124.4310	0.128	2	124.4310	0.128	2	126.9738	6.942	5	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:2:2:	3:2:	3:3:3:	C[5a,6a]-3:N[6a]-2:O[5a]-2:	C[5a,6a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	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])	C[5a,6a](C[5a,6a]N[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]N)	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>}	N[6a](C[5a,6a]C[5a,6a]O[5a])(N[6a]C[6a]){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]N){1|C<4>,1|H<1>,1|N<2>}	129.6735	0.182	2	129.6735	0.033	2	129.6735	0.033	2	126.9738	6.942	5	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:2:2:	3:2:	3:3:3:	C[5a,6a]-3:N[6a]-2:S[5a]-2:	C[5a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	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])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[6a]S[5a])(C[5a]C[5a]H)	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>}	N[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a,6a]){4|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[6a]S[5a])(C[5a]C[5a]H){1|N<2>,2|C<3>,2|H<1>}	126.6600	0.000	1	126.6600	0.000	1	126.6600	0.000	1	126.9738	6.942	5	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:2:2:	3:3:	3:2:2:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[5a]O[5a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[5a]O[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[5a]O[5a])(N[6a]C[6a]){1|Cl<1>,1|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl){1|Cl<1>,1|O<2>,2|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[5a]O[5a])(N[6a]C[6a]){1|Cl<1>,1|C<3>}	123.3085	0.349	2	123.3085	0.122	2	123.1401	0.181	7	123.5463	0.569	29	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:2:2:	3:3:	3:2:2:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[5a]O[5a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[5a]O[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[5a]O[5a])(N[6a]C[6a]){1|C<3>,1|O<2>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O){2|N<2>,2|O<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[5a]O[5a])(N[6a]C[6a]){1|C<3>,1|O<2>}	123.3403	0.317	3	123.3403	0.100	3	123.1401	0.181	7	123.5463	0.569	29	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:2:2:	3:3:	3:2:2:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[5a]S[5a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[5a]S[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[5a]S[5a])(N[6a]C[6a]){1|C<3>,1|N<2>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N){2|N<2>,2|S<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[5a]S[5a])(N[6a]C[6a]){1|C<3>,1|S<2>}	122.4010	0.000	1	122.4010	0.000	1	123.1401	0.181	7	123.5463	0.569	29	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:2:2:	3:3:	3:2:2:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[5a]S[5a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]S)	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[5a]S[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[5a]S[5a])(N[6a]C[6a]){1|C<3>,1|S<2>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]S){1|S<2>,3|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[5a]S[5a])(N[6a]C[6a]){1|C<3>,1|N<2>}	122.9420	0.000	1	122.9420	0.000	1	123.1401	0.181	7	123.5463	0.569	29	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:2:2:	3:3:	3:2:2:	C[5a,6a]-3:N[6a]-2:N[5a]-2:	C[5a,6a]-3:C[5,6a]-3:	C[5a,6a]-3:N[6a]-2:N[5a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[6a]C[5,6a])(N[5a]S[5a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]N[5])	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[6a]C[5,6a])(N[5a]S[5a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[6a]C[5,6a])(N[5a]S[5a]){1|C<3>,1|N<2>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]N[5]){2|N<2>,3|S<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[6a]C[5,6a])(N[5a]S[5a]){1|C<3>,1|S<2>}	124.0720	0.000	1	124.0720	0.000	1	122.9884	0.320	8	123.5463	0.569	29	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:2:2:	3:3:	3:2:2:	C[5a,6a]-3:N[6a]-2:N[5a]-2:	C[5a,6a]-3:C[5,6a]-3:	C[5a,6a]-3:N[6a]-2:N[5a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[6a]C[5,6a])(N[5a]S[5a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]S[5])	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[6a]C[5,6a])(N[5a]S[5a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[6a]C[5,6a])(N[5a]S[5a]){1|C<3>,1|S<2>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]S[5]){1|N<3>,2|N<2>,2|S<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[6a]C[5,6a])(N[5a]S[5a]){1|C<3>,1|S<2>}	122.9158	0.293	4	122.8336	0.149	7	122.9884	0.320	8	123.5463	0.569	29	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:2:2:	3:3:	3:2:2:	C[5a,6a]-3:N[6a]-2:N[5a]-2:	C[5a,6a]-3:C[5,6a]-3:	C[5a,6a]-3:N[6a]-2:N[5a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[6a]C[5,6a])(N[5a]S[5a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]S[5])	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[6a]C[5,6a])(N[5a]S[5a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[6a]C[5,6a])(N[5a]S[5a]){1|C<3>,1|S<2>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]S[5]){2|S<2>,3|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[6a]C[5,6a])(N[5a]S[5a]){1|C<3>,1|N<2>}	122.1060	0.000	1	122.8336	0.149	7	122.9884	0.320	8	123.5463	0.569	29	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:2:2:	3:3:	3:2:2:	C[5a,6a]-3:N[6a]-2:N[5a]-2:	C[5a,6a]-3:C[5,6a]-3:	C[5a,6a]-3:N[6a]-2:N[5a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[6a]C[5,6a])(N[5a]S[5a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]S[5])	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[6a]C[5,6a])(N[5a]S[5a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[6a]C[5,6a])(N[5a]S[5a]){1|C<3>,1|S<2>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]S[5]){2|S<2>,3|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[6a]C[5,6a])(N[5a]S[5a]){1|C<3>,1|S<2>}	123.0330	0.037	2	122.8336	0.149	7	122.9884	0.320	8	123.5463	0.569	29	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:2:2:	3:3:	3:2:2:	C[5a,6a]-3:N[6a]-2:N[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:N[6a]-2:N[5a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[6a]C[5a,6a])(N[5a]O[5a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[6a]C[5a,6a])(N[5a]O[5a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[6a]C[5a,6a])(N[5a]O[5a]){2|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2){1|N<3>,1|O<2>,2|C<3>,2|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[6a]C[5a,6a])(N[5a]O[5a]){1|C<3>,1|N<3>}	124.5970	0.000	1	124.5970	0.000	1	124.7445	0.053	4	123.5463	0.569	29	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:2:2:	3:3:	3:2:2:	C[5a,6a]-3:N[6a]-2:N[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:N[6a]-2:N[5a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[6a]C[5a,6a])(N[5a]O[5a])	N[6a](C[5a,6a]C[5a,6a]N[5a])2	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[6a]C[5a,6a])(N[5a]O[5a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[6a]C[5a,6a])(N[5a]O[5a]){1|C<3>,1|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[6a]C[5a,6a])(N[5a]O[5a]){1|C<3>,1|N<3>}	124.6475	0.042	2	124.7937	0.065	3	124.7445	0.053	4	123.5463	0.569	29	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:2:2:	3:3:	3:2:2:	C[5a,6a]-3:N[6a]-2:N[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:N[6a]-2:N[5a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[6a]C[5a,6a])(N[5a]O[5a])	N[6a](C[5a,6a]C[5a,6a]N[5a])2	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[6a]C[5a,6a])(N[5a]O[5a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[6a]C[5a,6a])(N[5a]O[5a]){1|C<3>,1|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])2{1|O<2>,2|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[6a]C[5a,6a])(N[5a]O[5a]){2|C<3>}	125.0860	0.000	1	124.7937	0.065	3	124.7445	0.053	4	123.5463	0.569	29	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:2:2:	3:3:	3:2:2:	C[5a,6a]-3:N[6a]-2:N[5a]-2:	C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:N[6a]-2:N[5a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[6a]C[6a,6a])(N[5a]S[5a])	N[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]N[5a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[6a]C[6a,6a])(N[5a]S[5a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[6a]C[6a,6a])(N[5a]S[5a]){2|C<3>}	N[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]N[5a]){1|S<2>,2|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[6a]C[6a,6a])(N[5a]S[5a]){2|C<3>}	123.1100	0.479	2	123.1100	0.230	2	123.1100	0.230	2	123.5463	0.569	29	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:2:2:	3:3:	3:2:2:	C[5a,6a]-3:O[5a]-2:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:O[5a]-2:N[6a]-2:	C[5a,6a](C[5a,6a]N[6a]O[5a])(O[5a]B[5a,5a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]N[6a]O[5a])(O[5a]B[5a,5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[6a]O[5a])(O[5a]B[5a,5a])(N[6a]C[6a]){1|C<2>,1|C<3>,2|O<2>}	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]C){1|B<4>,1|C<2>,1|N<2>,1|O<2>}	C[5a,6a](C[5a,6a]N[6a]O[5a])(O[5a]B[5a,5a])(N[6a]C[6a]){1|C<2>,1|C<3>,2|O<2>}	123.9398	0.211	4	123.9398	0.044	4	123.9695	0.145	8	123.5463	0.569	29	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:2:2:	3:3:	3:2:2:	C[5a,6a]-3:O[5a]-2:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:O[5a]-2:N[6a]-2:	C[5a,6a](C[5a,6a]N[6a]O[5a])(O[5a]B[5a,5a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[6a]O[5a])(O[5a]B[5a,5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[6a]O[5a])(O[5a]B[5a,5a])(N[6a]C[6a]){1|C<3>,1|H<1>,2|O<2>}	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H){1|B<4>,1|H<1>,1|N<2>,1|O<2>}	C[5a,6a](C[5a,6a]N[6a]O[5a])(O[5a]B[5a,5a])(N[6a]C[6a]){1|C<3>,1|H<1>,2|O<2>}	123.9993	0.541	4	123.9993	0.292	4	123.9695	0.145	8	123.5463	0.569	29	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:2:2:	3:3:	3:2:3:	C[5a,6a]-3:N[6a]-2:O[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:N[6a]-2:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]N[6a])(N[6a]C[6a,6a])(O[5a]C[5a])	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a])	C[5a,6a](C[5a,6a]N[6a]O[5a])(N[6a]C[6a,6a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]N[6a])(N[6a]C[6a,6a])(O[5a]C[5a]){1|H<1>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,1|N<2>,4|C<3>}	C[5a,6a](C[5a,6a]N[6a]O[5a])(N[6a]C[6a,6a])(C[5a]C[5a]H){3|C<3>}	126.9715	0.047	2	126.9715	0.002	2	126.9715	0.002	2	126.9715	0.002	2	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:2:2:	3:3:	3:3:2:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]S)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|N<3>,1|S<1>,2|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]S)(N[5a]C[5a]){1|C<3>,2|H<1>}	125.9040	0.000	1	125.9040	0.000	1	125.1568	1.740	4	124.9874	5.264	22	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:2:2:	3:3:	3:3:2:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]Cl)(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a])(N[6a]C[6a]){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]Cl)(N[5a]N[5a]){1|C<3>,1|C<4>,1|H<1>}	126.6320	0.000	1	126.6320	0.000	1	125.1568	1.740	4	124.9874	5.264	22	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:2:2:	3:3:	3:3:2:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]S[5a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]S[5a])(N[6a]C[6a]){1|C<3>,2|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|N<2>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]S[5a]){2|C<3>}	124.0455	0.120	2	124.0455	0.014	2	125.1568	1.740	4	124.9874	5.264	22	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:2:2:	3:3:	3:3:2:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(N[5a]C[5a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(N[5a]C[5a])(N[6a]C[6a]){1|C<3>,1|N<3>,2|C<4>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C){1|H<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)(O[5a]C[5a]){1|C<3>,1|H<1>,1|N<3>}	123.5125	0.192	2	123.5125	0.037	2	123.5125	0.037	2	124.9874	5.264	22	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:2:2:	3:3:	3:3:2:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(N[5a]C[5a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(N[5a]C[5a])(N[6a]C[6a]){1|H<1>,1|N<3>,2|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2){1|H<1>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|H<1>,1|N<3>}	122.3920	0.639	2	122.3920	0.409	2	123.0529	0.471	8	124.9874	5.264	22	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:2:2:	3:3:	3:3:2:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(N[5a]C[5a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(N[5a]C[5a])(N[6a]C[6a]){1|H<1>,1|N<3>,2|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C){1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|N<3>,2|C<3>}	122.1860	0.000	1	122.1860	0.000	1	123.0529	0.471	8	124.9874	5.264	22	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:2:2:	3:3:	3:3:2:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(N[5a]C[5a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(N[5a]C[5a])(N[6a]C[6a]){1|C<3>,1|C<4>,2|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	123.5770	0.294	3	123.4906	0.077	5	123.0529	0.471	8	124.9874	5.264	22	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:2:2:	3:3:	3:3:2:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(N[5a]C[5a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(N[5a]C[5a])(N[6a]C[6a]){2|C<3>,2|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|H<1>,2|C<3>}	123.3610	0.279	2	123.4906	0.077	5	123.0529	0.471	8	124.9874	5.264	22	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:2:2:	3:3:	3:3:2:	C[5a,6a]-3:N[6a]-2:O[5a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a])(O[5a]C[5a])	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]N[6a]C)	C[5a,6a](C[5a,6a]N[6a]O[5a])(C[6a]N[6a]N)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a])(O[5a]C[5a]){1|N<2>,1|N<3>,2|C<4>}	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]N[6a]C){1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[6a]O[5a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>}	129.1920	0.000	1	129.1920	0.000	1	129.1920	0.000	1	124.9874	5.264	22	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:2:2:	3:3:	3:3:2:	C[5a,6a]-3:N[6a]-2:O[5a]-2:	C[5a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(N[6a]C[6a])(O[5a]C[5a])	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a,6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[6a]O[5a])(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(N[6a]C[6a])(O[5a]C[5a]){1|H<1>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a,6a]H){1|N<2>,3|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[6a]O[5a])(N[5a]C[5a]){1|H<1>,4|C<3>}	129.4650	0.972	2	129.4650	0.944	2	129.4650	0.944	2	124.9874	5.264	22	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:2:2:	3:3:	3:3:2:	C[5a,6a]-3:N[6a]-2:S[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[5a,6a])(S[5a]C[5a])	N[6a](C[5a,6a]C[5a,6a]S[5a])2	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[6a]C[5a,6a]C[6a])(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[5a,6a])(S[5a]C[5a]){1|S<2>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]S[5a])2{1|N<2>,4|C<3>}	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[6a]C[5a,6a]C[6a])(N[5a]C[5a]){5|C<3>}	126.5030	0.069	2	126.5030	0.005	2	126.5030	0.005	2	124.9874	5.264	22	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:2:2:	3:3:	3:3:2:	C[5a,6a]-3:N[6a]-2:S[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[6a]C[6a,6a])(S[5a]C[5a,6a])	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a,6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[6a]S[5a])(N[6a]C[6a,6a])	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[6a]C[6a,6a])(S[5a]C[5a,6a]){4|C<3>}	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a,6a]C[6a]){1|C<2>,1|N<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[6a]S[5a])(N[6a]C[6a,6a]){1|H<1>,4|C<3>}	124.0530	0.000	1	124.0530	0.000	1	124.0530	0.000	1	124.9874	5.264	22	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:2:2:	3:3:	3:3:2:	C[5a,6a]-3:N[6a]-2:S[5a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a])(S[5a]C[5a])	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a])(S[5a]C[5a]){2|C<3>,2|H<1>}	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|H<1>,2|C<3>}	125.8590	0.000	1	125.8590	0.000	1	126.2330	0.280	2	124.9874	5.264	22	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:2:2:	3:3:	3:3:2:	C[5a,6a]-3:N[6a]-2:S[5a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a])(S[5a]C[5a])	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]S)	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a])(S[5a]C[5a]){1|H<1>,1|S<2>,2|C<3>}	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]S){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|H<1>,2|C<3>}	126.6070	0.000	1	126.6070	0.000	1	126.2330	0.280	2	124.9874	5.264	22	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:2:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(N[5a]N[5a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[5a,6a]N)	C[5a,6a](C[5a,6a]N[5a,6a]N[5a])(C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(N[5a]N[5a])(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<2>,2|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[5a,6a]N){1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]N[5a])(C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H){1|C<4>,1|N<2>,2|C<3>}	125.2733	0.780	3	125.2733	0.608	3	125.2733	0.608	3	126.0491	4.849	143	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:2:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a,6a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[5a])	C[5a,6a](C[5a,6a]N[5a,6a]N[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a,6a])(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[5a]){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]N[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C){1|H<1>,3|C<3>}	124.3350	0.000	1	124.3350	0.000	1	124.3350	0.000	1	126.0491	4.849	143	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:2:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a])(N[6a]C[6a]){1|Ru<6>,2|C<3>,2|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|Br<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C[5])(C[6a]C[6a]H){1|Br<1>,1|Ru<6>,1|C<3>,2|N<3>}	124.1960	0.000	1	124.1960	0.000	1	123.8696	0.866	10	126.0491	4.849	143	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:2:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a])(N[6a]C[6a]){1|C<4>,1|N<2>,3|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]H){1|C<3>,1|C<4>}	123.3410	0.000	1	123.3410	0.000	1	123.8696	0.866	10	126.0491	4.849	143	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:2:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]N)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a])(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,2|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]N){1|C<3>,1|C<4>}	123.4110	0.000	1	123.4110	0.000	1	123.8696	0.866	10	126.0491	4.849	143	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:2:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a])(N[6a]C[6a]){1|C<4>,1|N<2>,1|O<2>,2|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]O){1|C<3>,1|C<4>}	123.2070	1.741	2	123.2070	3.031	2	123.8696	0.866	10	126.0491	4.849	143	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:2:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]S)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]S)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a])(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<2>,2|S<2>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]S){1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]S){1|C<3>,1|C<4>}	124.2668	0.790	5	124.2668	0.625	5	123.8696	0.866	10	126.0491	4.849	143	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:2:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]S)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N[5])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a])(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|S<2>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]S){1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N[5])(C[5a]N[5a]H){1|C<3>,3|C<4>}	124.2135	0.207	2	124.2135	0.043	2	124.2135	0.043	2	126.0491	4.849	143	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:2:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|C<4>,2|C<3>,2|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|Br<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Br<1>,2|C<3>}	124.5590	0.000	1	124.5590	0.000	1	123.7369	2.918	33	126.0491	4.849	143	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:2:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|C<3>,1|C<4>,3|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|H<1>}	115.1340	0.000	1	122.8172	18.487	5	123.7369	2.918	33	126.0491	4.849	143	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:2:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|C<3>,4|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,2|H<1>}	124.7380	0.229	4	122.8172	18.487	5	123.7369	2.918	33	126.0491	4.849	143	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:2:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|C<3>,1|N<3>,3|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N)(N[5a]C[5a]H){1|C<3>,2|H<1>}	125.7100	0.000	1	125.7100	0.000	1	123.7369	2.918	33	126.0491	4.849	143	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:2:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]Cl)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){2|Cl<1>,1|C<4>,1|H<1>,1|N<2>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]Cl){1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]C){1|C<3>,1|H<1>}	123.4910	0.000	1	123.4910	0.000	1	123.7369	2.918	33	126.0491	4.849	143	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:2:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]Cl)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){2|Cl<1>,1|N<2>,2|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]Cl){1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]H){1|C<3>,1|H<1>}	123.7330	0.000	1	123.7330	0.000	1	123.7369	2.918	33	126.0491	4.849	143	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:2:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]C)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|C<2>,1|C<4>,1|N<2>,2|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]C)(N[5a]C[5a]C){1|C<3>,1|H<1>}	123.2805	0.165	2	123.2805	0.027	2	123.7369	2.918	33	126.0491	4.849	143	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:2:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]C)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|C<4>,1|N<2>,3|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]C)(N[5a]C[5a]H){1|C<3>,1|H<1>}	123.0890	0.000	1	123.0890	0.000	1	123.7369	2.918	33	126.0491	4.849	143	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:2:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|Cl<1>,1|C<4>,1|N<2>,2|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]C){1|C<3>,1|H<1>}	123.4610	0.410	3	123.4610	0.168	3	123.7369	2.918	33	126.0491	4.849	143	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:2:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|N<2>,4|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]H)(N[5a]C[5a]H){1|C<3>,1|H<1>}	123.8170	0.000	1	123.8170	0.000	1	123.7369	2.918	33	126.0491	4.849	143	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:2:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]I)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|C<4>,1|I<1>,1|N<2>,2|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]I)(N[5a]C[5a]C){1|C<3>,1|H<1>}	124.1830	0.000	1	124.1830	0.000	1	123.7369	2.918	33	126.0491	4.849	143	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:2:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,2|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]C){1|C<3>,1|H<1>}	123.8360	0.000	1	123.8360	0.000	1	123.7369	2.918	33	126.0491	4.849	143	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:2:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|N<2>,1|N<3>,3|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]H){1|C<3>,1|H<1>}	123.9408	0.788	9	123.9408	0.621	9	123.7369	2.918	33	126.0491	4.849	143	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:2:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|C<4>,1|N<2>,1|O<2>,2|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C){1|C<3>,1|H<1>}	122.9910	0.000	1	122.9910	0.000	1	123.7369	2.918	33	126.0491	4.849	143	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:2:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]I)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|C<4>,1|H<1>,1|I<1>,1|N<2>,1|O<2>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]I){1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C){1|C<3>,1|H<1>}	123.5270	0.000	1	123.5270	0.000	1	123.7369	2.918	33	126.0491	4.849	143	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:2:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]C)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|C<2>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N){1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]C)(N[5a]C[5a]C){1|C<3>,1|H<1>}	124.0675	0.057	2	124.0675	0.003	2	123.7369	2.918	33	126.0491	4.849	143	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:2:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|C<4>,1|H<1>,1|O<1>,2|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C){1|C<3>,2|H<1>}	124.8755	0.404	2	124.8755	0.163	2	123.7369	2.918	33	126.0491	4.849	143	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:2:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]Cl)	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[5a]C[5a]C[5])(C[6a]N[6a]Cl)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){2|Cl<1>,1|C<4>,1|H<1>,1|N<2>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]Cl){1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[5a]C[5a]C[5])(C[6a]N[6a]Cl){1|C<4>,2|C<3>,2|H<1>}	123.3435	0.218	2	123.3435	0.048	2	124.7988	2.827	5	126.0491	4.849	143	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:2:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[5a]C[5a]C[5])(C[6a]N[6a]O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[5a]C[5a]C[5])(C[6a]N[6a]O){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	124.7540	0.000	1	124.7540	0.000	1	124.7988	2.827	5	126.0491	4.849	143	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:2:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N)	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[5a]C[5a]Rh)(C[6a]N[6a]N)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|Rh<5>,1|H<1>,1|N<2>,2|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N){1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[5a]C[5a]Rh)(C[6a]N[6a]N){1|C<3>,1|H<1>}	127.4290	0.000	1	127.4290	0.000	1	124.7988	2.827	5	126.0491	4.849	143	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:2:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[5a]N[5a]C[5])(C[6a]N[6a]N)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a])(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<2>,1|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|C<3>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[5a]N[5a]C[5])(C[6a]N[6a]N){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	125.1240	0.000	1	125.1240	0.000	1	124.7988	2.827	5	126.0491	4.849	143	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:2:2:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:N[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a,6a])(N[5a]N[5a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a,6a]H)(C[5a]N[5a]Cl)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a,6a])(N[5a]N[5a]){1|Cl<1>,1|H<1>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a,6a]H)(C[5a]N[5a]Cl){3|C<3>}	124.3750	0.000	1	124.3750	0.000	1	124.3750	0.000	1	126.0491	4.849	143	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:2:2:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:O[5a]-2:	C[5a,6a]-3:C[5,6a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[5,6a])(O[5a]N[5a])	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[5,6a]C[5,6a]C[5])	C[5a,6a](C[5a,6a]N[6a]O[5a])(C[6a]C[5,6a]C[6a])(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[5,6a])(O[5a]N[5a]){2|C<3>,2|C<4>}	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[5,6a]C[5,6a]C[5]){1|N<2>,1|O<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[6a]O[5a])(C[6a]C[5,6a]C[6a])(C[5a]N[5a]C){4|C<3>}	129.1120	0.000	2	129.1120	0.000	2	129.1120	0.000	2	126.0491	4.849	143	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:2:2:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:O[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[6a]C[5a,6a])(O[5a]C[5a,6a])	N[6a](C[5a,6a]C[5a,6a]O[5a])2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[6a]O[5a])(C[6a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[6a]C[5a,6a])(O[5a]C[5a,6a]){1|H<1>,1|O<2>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]O[5a])2{5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[6a]O[5a])(C[6a]C[5a,6a]H){1|H<1>,4|C<3>}	128.4990	0.092	2	128.4990	0.008	2	128.4990	0.008	2	126.0491	4.849	143	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:2:2:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:O[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a,6a])(O[5a]C[5a])	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a])	C[5a,6a](C[5a,6a]N[6a]O[5a])(C[6a]C[6a,6a]O)(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a,6a])(O[5a]C[5a]){1|O<2>,2|C<3>,2|H<1>}	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]N[6a]O[5a])(C[6a]C[6a,6a]O)(C[5a]C[5a]H){1|H<1>,2|C<3>}	130.3910	0.132	2	130.6425	0.093	4	130.2250	0.941	5	126.0491	4.849	143	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:2:2:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:O[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a,6a])(O[5a]C[5a])	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a])	C[5a,6a](C[5a,6a]N[6a]O[5a])(C[6a]C[6a,6a]O)(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a,6a])(O[5a]C[5a]){1|O<2>,2|C<3>,2|H<1>}	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a]){1|O<2>,5|C<3>}	C[5a,6a](C[5a,6a]N[6a]O[5a])(C[6a]C[6a,6a]O)(C[5a]C[5a]H){1|H<1>,2|C<3>}	130.8940	0.098	2	130.6425	0.093	4	130.2250	0.941	5	126.0491	4.849	143	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:2:2:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:O[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a,6a])(O[5a]N[5a])	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a])	C[5a,6a](C[5a,6a]N[6a]O[5a])(C[6a]C[6a,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a,6a])(O[5a]N[5a]){4|C<3>}	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,1|N<2>,4|C<3>}	C[5a,6a](C[5a,6a]N[6a]O[5a])(C[6a]C[6a,6a]C[6a])(C[5a]C[6a]N[5a]){6|C<3>}	128.5550	0.000	1	128.5550	0.000	1	130.2250	0.941	5	126.0491	4.849	143	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:2:2:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:O[5a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a])(O[5a]C[5a])	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]N[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a])(O[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]2){1|C<4>,5|C<3>}	C[5a,6a](C[5a,6a]N[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>}	129.0410	0.000	1	129.0410	0.000	1	129.1291	1.027	7	126.0491	4.849	143	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:2:2:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:O[5a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a])(O[5a]C[5a])	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]N[6a]O[5a])(C[5a]C[5a]N)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a])(O[5a]C[5a]){1|N<3>,4|C<3>}	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]2){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]N[6a]O[5a])(C[5a]C[5a]N)(C[6a]C[6a]2){1|H<1>,4|C<3>}	128.7440	0.000	1	128.7440	0.000	1	129.1291	1.027	7	126.0491	4.849	143	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:2:2:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:O[5a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a])(O[5a]C[5a])	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]N[6a]N)	C[5a,6a](C[5a,6a]N[6a]O[5a])(C[5a]C[5a]C)(C[6a]N[6a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a])(O[5a]C[5a]){1|C<3>,1|C<4>,1|O<1>,2|N<3>}	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]N[6a]N){4|C<3>}	C[5a,6a](C[5a,6a]N[6a]O[5a])(C[5a]C[5a]C)(C[6a]N[6a]O){1|C<4>,2|C<3>}	130.9250	0.000	1	130.9250	0.000	1	129.1291	1.027	7	126.0491	4.849	143	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:2:2:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:O[5a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a])(O[5a]C[5a])	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]N[6a]O)	C[5a,6a](C[5a,6a]N[6a]O[5a])(C[5a]C[5a]C)(C[6a]N[6a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a])(O[5a]C[5a]){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>}	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]N[6a]O){4|C<3>}	C[5a,6a](C[5a,6a]N[6a]O[5a])(C[5a]C[5a]C)(C[6a]N[6a]O){1|C<4>,2|C<3>}	130.0710	0.000	1	130.0710	0.000	1	129.1291	1.027	7	126.0491	4.849	143	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:2:2:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:O[5a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a])(O[5a]C[5a])	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]N[6a]O)	C[5a,6a](C[5a,6a]N[6a]O[5a])(C[5a]C[5a]H)(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a])(O[5a]C[5a]){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]N[6a]O){1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]N[6a]O[5a])(C[5a]C[5a]H)(C[6a]N[6a]H){1|C<4>,2|C<3>}	128.1170	0.000	1	128.2065	0.016	2	129.1291	1.027	7	126.0491	4.849	143	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:2:2:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:O[5a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a])(O[5a]C[5a])	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]N[6a]O)	C[5a,6a](C[5a,6a]N[6a]O[5a])(C[5a]C[5a]H)(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a])(O[5a]C[5a]){1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]N[6a]O){1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]N[6a]O[5a])(C[5a]C[5a]H)(C[6a]N[6a]H){1|C<3>,2|C<4>}	128.2960	0.000	1	128.2065	0.016	2	129.1291	1.027	7	126.0491	4.849	143	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:2:2:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:O[5a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a])(O[5a]N[5a])	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[6a]O[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a])(O[5a]N[5a]){1|C<3>,1|C<4>,2|H<1>}	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H){1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]N[6a]O[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){2|C<3>}	128.7100	0.000	1	128.7100	0.000	1	129.1291	1.027	7	126.0491	4.849	143	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:2:2:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:S[5a]-2:	C[5a,6a]-3:C[5,6a]-3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[6a]C[5,6a])(S[5a]C[5,5a])	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[5,6a]N[5,6a]C[5])	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]N[6a]S[5a])(C[6a]N[5,6a]O)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[6a]C[5,6a])(S[5a]C[5,5a]){1|N<3>,1|O<1>,3|C<4>}	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[5,6a]N[5,6a]C[5]){2|C<4>,2|H<1>,3|C<3>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]N[6a]S[5a])(C[6a]N[5,6a]O){1|C<3>,2|H<1>,3|C<4>}	126.7180	0.000	1	126.7180	0.000	1	126.7180	0.000	1	126.0491	4.849	143	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:2:2:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:S[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[5a,6a])(S[5a]C[5a])	N[6a](C[5a,6a]C[5a,6a]S[5a])2	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[5a,6a])(S[5a]C[5a]){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	N[6a](C[5a,6a]C[5a,6a]S[5a])2{1|N<2>,4|C<3>}	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[6a]C[5a,6a]C[6a])(C[5a]C[5a]H){1|C<4>,1|N<2>,3|C<3>}	126.5830	0.392	2	126.5830	0.153	2	126.5830	0.153	2	126.0491	4.849	143	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:2:2:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:S[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a,6a])(S[5a]C[5a])	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a,6a]C[6a])	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[6a]C[6a,6a]H)(C[5a]C[5a]I)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a,6a])(S[5a]C[5a]){1|I<1>,2|C<3>,2|H<1>}	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[6a]C[6a,6a]H)(C[5a]C[5a]I){1|H<1>,2|C<3>}	126.6670	0.000	1	126.6670	0.000	1	126.6320	0.002	2	126.0491	4.849	143	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:2:2:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:S[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a,6a])(S[5a]C[5a])	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a,6a]C[6a])	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[6a]C[6a,6a]H)(C[5a]C[5a]N)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a,6a])(S[5a]C[5a]){1|H<1>,2|C<3>,2|N<2>}	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[6a]C[6a,6a]H)(C[5a]C[5a]N){1|N<2>,2|C<3>}	126.5970	0.000	1	126.5970	0.000	1	126.6320	0.002	2	126.0491	4.849	143	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:2:2:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:S[5a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a])(S[5a]C[5a])	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]N)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a])(S[5a]C[5a]){1|N<3>,4|C<3>}	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]2){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]N)(C[6a]C[6a]2){1|H<1>,4|C<3>}	126.6810	0.000	1	126.4010	0.157	2	126.4313	0.318	30	126.0491	4.849	143	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:2:2:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:S[5a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a])(S[5a]C[5a])	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]N)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a])(S[5a]C[5a]){1|N<3>,4|C<3>}	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]2){6|C<3>}	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]N)(C[6a]C[6a]2){5|C<3>}	126.1210	0.000	1	126.4010	0.157	2	126.4313	0.318	30	126.0491	4.849	143	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:2:2:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:S[5a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a])(S[5a]C[5a])	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a])(S[5a]C[5a]){1|H<1>,1|N<3>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]2){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|H<1>,2|C<3>}	126.0810	0.134	2	126.0810	0.018	2	126.4313	0.318	30	126.0491	4.849	143	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:2:2:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:S[5a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a])(S[5a]C[5a])	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a])(S[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]C){4|C<3>}	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){5|C<3>}	125.9597	0.553	3	125.9597	0.306	3	126.4313	0.318	30	126.0491	4.849	143	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:2:2:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:S[5a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a])(S[5a]C[5a])	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]N)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a])(S[5a]C[5a]){1|C<2>,1|C<4>,1|N<3>,2|C<3>}	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]C){4|C<3>}	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]N)(C[6a]C[6a]2){1|C<2>,4|C<3>}	126.4575	0.407	2	126.3820	0.100	3	126.4313	0.318	30	126.0491	4.849	143	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:2:2:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:S[5a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a])(S[5a]C[5a])	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]N)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a])(S[5a]C[5a]){1|C<4>,1|N<3>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]C){4|C<3>}	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]N)(C[6a]C[6a]2){5|C<3>}	126.2310	0.000	1	126.3820	0.100	3	126.4313	0.318	30	126.0491	4.849	143	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:2:2:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:S[5a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a])(S[5a]C[5a])	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]N)(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a])(S[5a]C[5a]){1|C<2>,1|C<3>,1|N<3>,2|C<4>}	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]C){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]N)(C[6a]C[6a]C){1|C<2>,1|C<3>,1|H<1>}	126.4280	0.000	1	126.2050	0.040	3	126.4313	0.318	30	126.0491	4.849	143	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:2:2:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:S[5a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a])(S[5a]C[5a])	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]N)(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a])(S[5a]C[5a]){1|C<4>,1|N<3>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]C){4|C<3>}	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]N)(C[6a]C[6a]C){3|C<3>}	126.0935	0.080	2	126.2050	0.040	3	126.4313	0.318	30	126.0491	4.849	143	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:2:2:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:S[5a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a])(S[5a]C[5a])	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a])(S[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|H<1>,2|C<3>}	125.4630	0.414	2	125.4630	0.172	2	126.4313	0.318	30	126.0491	4.849	143	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:2:2:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:S[5a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a])(S[5a]C[5a])	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]N)	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]N)(C[6a]C[6a]N)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a])(S[5a]C[5a]){2|C<3>,3|N<3>}	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]N){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]N)(C[6a]C[6a]N){1|H<1>,2|C<3>}	127.3130	0.000	1	127.3130	0.000	1	126.4313	0.318	30	126.0491	4.849	143	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:2:2:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:S[5a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a])(S[5a]C[5a])	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]O[6a])	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]C)(C[6a]O[6a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a])(S[5a]C[5a]){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]O[6a]){5|C<3>}	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]C)(C[6a]O[6a]O){1|C<3>,1|C<4>}	126.6360	0.000	1	126.6360	0.000	1	126.4313	0.318	30	126.0491	4.849	143	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:2:2:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:S[5a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a])(S[5a]C[5a])	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]C)(C[6a]N[6a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a])(S[5a]C[5a]){1|H<1>,1|N<3>,1|O<1>,2|C<4>}	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]N[6a]H){1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]C)(C[6a]N[6a]O){1|C<3>,2|C<4>}	126.3640	0.000	1	126.3640	0.000	1	126.4313	0.318	30	126.0491	4.849	143	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:2:2:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:S[5a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a])(S[5a]C[5a])	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]H)(C[6a]N[6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a])(S[5a]C[5a]){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]N[6a]H){3|C<3>}	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]H)(C[6a]N[6a]C){2|C<3>}	125.8020	0.000	1	125.8020	0.000	1	126.4313	0.318	30	126.0491	4.849	143	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:2:2:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:S[5a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a])(S[5a]C[5a])	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]N[6a]N)	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]C)(C[6a]N[6a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a])(S[5a]C[5a]){1|C<3>,1|C<4>,1|O<1>,2|N<3>}	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]N[6a]N){4|C<3>}	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]C)(C[6a]N[6a]O){3|C<3>}	126.9390	0.000	1	127.3210	0.116	3	126.4313	0.318	30	126.0491	4.849	143	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:2:2:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:S[5a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a])(S[5a]C[5a])	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]N[6a]N)	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]C)(C[6a]N[6a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a])(S[5a]C[5a]){1|O<1>,2|C<4>,2|N<3>}	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]N[6a]N){4|C<3>}	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]C)(C[6a]N[6a]O){1|C<4>,2|C<3>}	127.5120	0.119	2	127.3210	0.116	3	126.4313	0.318	30	126.0491	4.849	143	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:2:2:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:S[5a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a])(S[5a]C[5a])	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]N[6a]N[6])	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]C)(C[6a]N[6a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a])(S[5a]C[5a]){1|O<1>,2|C<4>,2|N<3>}	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]N[6a]N[6]){2|C<4>,4|C<3>}	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]C)(C[6a]N[6a]O){1|C<4>,2|C<3>}	127.1050	0.000	1	127.1050	0.000	1	126.4313	0.318	30	126.0491	4.849	143	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:2:2:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:S[5a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a])(S[5a]C[5a])	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]N[6a]N[6])	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]H)(C[6a]N[6a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a])(S[5a]C[5a]){1|C<4>,1|H<1>,1|O<1>,2|N<3>}	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]N[6a]N[6]){2|C<4>,4|C<3>}	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]H)(C[6a]N[6a]O){1|C<4>,2|C<3>}	126.5930	0.000	1	126.5930	0.000	1	126.4313	0.318	30	126.0491	4.849	143	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:2:2:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:S[5a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a])(S[5a]C[5a])	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]N[6a]O)	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]H)(C[6a]N[6a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a])(S[5a]C[5a]){1|N<3>,1|O<1>,1|O<2>,2|H<1>}	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]N[6a]O){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]H)(C[6a]N[6a]O){1|C<3>,2|H<1>}	126.9750	0.000	1	126.9750	0.000	1	126.4313	0.318	30	126.0491	4.849	143	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:2:2:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:S[5a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a])(S[5a]N[5a])	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]N[5a]O)(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a])(S[5a]N[5a]){1|C<3>,1|O<1>,3|C<4>}	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]C){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]N[5a]O)(C[6a]C[6a]C){1|C<3>,1|C<4>,1|H<1>}	126.5316	0.313	5	126.5316	0.098	5	126.4313	0.318	30	126.0491	4.849	143	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:2:2:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:S[5a]-2:	C[5a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[6a]C[6a])(S[5a]C[5a])	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a,6a]C)	C[5a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]N[6a]S[5a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[6a]C[6a])(S[5a]C[5a]){1|C<3>,1|N<2>,3|C<4>}	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a,6a]C){4|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]N[6a]S[5a])(C[5a]C[5a]C){1|C<4>,3|C<3>}	127.7300	0.515	3	127.7300	0.265	3	127.7300	0.265	3	126.0491	4.849	143	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:2:2:	3:3:	3:3:3:	C[5a,6a]-3:O[5a]-2:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(N[6a]C[6a]){1|C<4>,1|H<1>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]C){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[6a]O[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	129.2610	0.088	2	129.2610	0.008	2	129.0400	0.068	4	126.0491	4.849	143	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:2:2:	3:3:	3:3:3:	C[5a,6a]-3:O[5a]-2:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[6a]O[5a])(C[6a]N[6a]N)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]N[6a]H){3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[6a]O[5a])(C[6a]N[6a]N){1|H<1>,3|C<3>}	128.7940	0.000	1	128.7940	0.000	1	129.0400	0.068	4	126.0491	4.849	143	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:2:2:	3:3:	3:3:3:	C[5a,6a]-3:O[5a]-2:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]N[6a]N)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[6a]O[5a])(C[6a]C[5a]N[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(N[6a]C[6a]){1|N<2>,1|N<3>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]N[6a]N){3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[6a]O[5a])(C[6a]C[5a]N[6a]){1|H<1>,1|O<2>,4|C<3>}	128.8440	0.000	1	128.8440	0.000	1	129.0400	0.068	4	126.0491	4.849	143	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:2:2:	3:3:	3:3:3:	C[5a,6a]-3:O[5a]-2:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(O[5a]C[5a,6a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]N[6a]O[5a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(O[5a]C[5a,6a])(N[6a]C[6a]){1|H<1>,1|N<2>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a,6a]H){4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]N[6a]O[5a]){1|H<1>,5|C<3>}	129.7900	0.000	1	129.7900	0.000	1	129.7900	0.000	1	126.0491	4.849	143	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:2:2:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(S[5a]C[5,5a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]N[6a]N[5])	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]N[6a]S[5a])(C[6a]N[6a]O)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(S[5a]C[5,5a])(N[6a]C[6a]){1|O<1>,2|C<4>,2|N<3>}	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]N[6a]N[5]){2|C<4>,4|C<3>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]N[6a]S[5a])(C[6a]N[6a]O){2|C<3>,2|C<4>,2|H<1>}	127.3010	0.000	1	127.3010	0.000	1	127.3010	0.000	1	126.0491	4.849	143	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:2:2:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]N[6a])	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]N[6a]O)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(N[6a]C[6a]){1|C<3>,1|N<2>,1|O<2>,2|C<4>}	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]N[6a]){5|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]N[6a]O){1|C<3>,2|C<4>,2|H<1>}	125.7010	0.000	1	125.7010	0.000	1	126.8435	1.474	26	126.0491	4.849	143	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:2:2:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]N[6a]C)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]N[6a]O)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(N[6a]C[6a]){1|N<3>,1|O<1>,3|C<4>}	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]N[6a]C){1|N<3>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]N[6a]O){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	129.0750	0.000	1	129.0750	0.000	1	126.8435	1.474	26	126.0491	4.849	143	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:2:2:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]N[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]N[6a]C[6])	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(N[6a]C[6a]){1|H<1>,1|N<2>,3|C<4>}	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]N[6a]H){3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]N[6a]C[6]){1|C<2>,1|C<3>,2|H<1>,4|C<4>}	126.0690	0.000	1	126.0690	0.000	1	126.8435	1.474	26	126.0491	4.849	143	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:2:2:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]N[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]N[6a]N[6])	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,2|C<4>}	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]N[6a]H){3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]N[6a]N[6]){1|C<3>,2|H<1>,4|C<4>}	125.8785	0.097	2	125.8785	0.009	2	126.8435	1.474	26	126.0491	4.849	143	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:2:2:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]N[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]N[6a]O)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(N[6a]C[6a]){1|H<1>,1|N<2>,1|O<2>,2|C<4>}	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]N[6a]H){3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]N[6a]O){1|C<3>,2|C<4>,2|H<1>}	125.4100	0.000	1	126.1360	1.054	2	126.8435	1.474	26	126.0491	4.849	143	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:2:2:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]N[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]N[6a]O)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(N[6a]C[6a]){1|H<1>,1|N<3>,1|O<1>,2|C<4>}	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]N[6a]H){1|S<4>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]N[6a]O){1|C<3>,1|S<4>,2|C<4>,2|H<1>}	126.8620	0.000	1	126.1360	1.054	2	126.8435	1.474	26	126.0491	4.849	143	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:2:2:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]N[6a]N)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]N[6a]O)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(N[6a]C[6a]){1|O<1>,2|C<4>,2|N<3>}	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]N[6a]N){1|C<4>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]N[6a]O){1|C<3>,2|H<1>,3|C<4>}	127.0170	0.000	1	127.2952	0.050	6	126.8435	1.474	26	126.0491	4.849	143	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:2:2:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]N[6a]N)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]N[6a]O)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(N[6a]C[6a]){1|O<1>,2|C<4>,2|N<3>}	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]N[6a]N){4|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]N[6a]O){2|C<3>,2|C<4>,2|H<1>}	127.3508	0.199	5	127.2952	0.050	6	126.8435	1.474	26	126.0491	4.849	143	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:2:2:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]N[6a]N[5])	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]N[6a]O)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(N[6a]C[6a]){1|O<1>,2|C<4>,2|N<3>}	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]N[6a]N[5]){2|C<4>,4|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]N[6a]O){2|C<3>,2|C<4>,2|H<1>}	127.2225	0.299	2	127.2225	0.089	2	126.8435	1.474	26	126.0491	4.849	143	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:2:2:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]N[6a]N[6])	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]N[6a]O)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(N[6a]C[6a]){1|N<2>,1|N<3>,1|O<2>,2|C<4>}	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]N[6a]N[6]){2|C<4>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]N[6a]O){1|C<3>,2|C<4>,2|H<1>}	126.2530	0.000	1	126.7710	0.206	3	126.8435	1.474	26	126.0491	4.849	143	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:2:2:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]N[6a]N[6])	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]N[6a]O)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(N[6a]C[6a]){1|O<1>,2|C<4>,2|N<3>}	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]N[6a]N[6]){2|C<4>,4|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]N[6a]O){2|C<3>,2|C<4>,2|H<1>}	127.0980	0.000	1	126.7710	0.206	3	126.8435	1.474	26	126.0491	4.849	143	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:2:2:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]N[6a]N[6])	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]N[6a]O)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(N[6a]C[6a]){1|O<1>,2|C<4>,2|N<3>}	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]N[6a]N[6]){3|C<3>,3|C<4>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]N[6a]O){1|C<3>,2|H<1>,3|C<4>}	126.9620	0.000	1	126.7710	0.206	3	126.8435	1.474	26	126.0491	4.849	143	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:2:2:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]N[6a]O)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]N[6a]O)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(N[6a]C[6a]){1|N<3>,1|O<1>,1|O<2>,2|C<4>}	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]N[6a]O){1|C<4>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]N[6a]O){1|C<3>,2|H<1>,3|C<4>}	126.1783	0.299	3	126.1783	0.089	3	126.8435	1.474	26	126.0491	4.849	143	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:2:2:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]N[6a]S)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]N[6a]O)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(N[6a]C[6a]){1|N<2>,1|O<2>,1|S<2>,2|C<4>}	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]N[6a]S){3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]N[6a]O){1|C<3>,2|C<4>,2|H<1>}	125.5070	0.484	2	125.8523	0.475	3	126.8435	1.474	26	126.0491	4.849	143	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:2:2:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]N[6a]S)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]N[6a]O)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(N[6a]C[6a]){1|N<3>,1|O<1>,1|S<2>,2|C<4>}	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]N[6a]S){1|S<4>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]N[6a]O){1|C<3>,1|S<4>,2|C<4>,2|H<1>}	126.5430	0.000	1	125.8523	0.475	3	126.8435	1.474	26	126.0491	4.849	143	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:2:2:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]O[6a]N)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]O[6a]O)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(N[6a]C[6a]){1|N<3>,1|O<1>,1|O<2>,2|C<4>}	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]O[6a]N){3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]O[6a]O){1|C<3>,2|C<4>,2|H<1>}	127.3370	0.000	1	127.3370	0.000	1	126.8435	1.474	26	126.0491	4.849	143	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:2:2:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]S[6a]N)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]S[6a]O)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(N[6a]C[6a]){1|N<3>,1|O<1>,1|S<2>,2|C<4>}	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]S[6a]N){3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]S[6a]O){1|C<3>,2|C<4>,2|H<1>}	131.0980	0.000	1	131.0980	0.000	1	126.8435	1.474	26	126.0491	4.849	143	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:2:2:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[5a,6])(S[5a]C[5a,6])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]N[5a,6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]N[5a])(C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])	C[5a,6a](C[5a,6a]C[5a,6a]C[5a,6])(S[5a]C[5a,6])(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,2|C<4>}	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]N[5a,6a]H){1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]N[5a])(C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a]){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	127.6080	0.000	1	127.6080	0.000	1	127.6080	0.000	1	126.0491	4.849	143	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:2:2:	3:3:	3:3:3:	C[5a,6a]-3:S[5a]-2:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a,6])(S[5a]C[5a,6])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a,6a]C)	C[5a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])	C[5a,6a](C[5a,6a]C[6a,6a]C[5a,6])(S[5a]C[5a,6])(N[6a]C[6a]){1|C<3>,1|N<2>,3|C<4>}	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a,6a]C){4|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a]){2|C<4>,2|H<1>,3|C<3>}	127.7420	0.000	1	127.7420	0.000	1	127.7420	0.000	1	126.0491	4.849	143	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:2:3:	3:3:	3:2:2:	C[5a,6a]-3:N[6a]-2:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:N[6a]-2:O[5a]-2:	C[5a,6a](C[5a,6a]N[6a]O[5a])(N[6a]C[6a,6a])(C[5a]C[5a]H)	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])	C[5a,6a](C[5a,6a]C[5a]N[6a])(N[6a]C[6a,6a])(O[5a]C[5a])	C[5a,6a](C[5a,6a]N[6a]O[5a])(N[6a]C[6a,6a])(C[5a]C[5a]H){3|C<3>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a]){1|N<2>,1|O<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]N[6a])(N[6a]C[6a,6a])(O[5a]C[5a]){1|H<1>,3|C<3>}	121.4400	0.058	2	121.4400	0.003	2	121.4400	0.003	2	121.4400	0.003	2	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:2:3:	3:3:	3:2:3:	C[5a,6a]-3:N[6a]-2:C[5a]-3:	C[5a,6a]-3:C[5,6a]-3:	C[5a,6a]-3:N[6a]-2:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]N[6a])(N[6a]C[5,6a])(C[5a]S[5a]H)	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]2)	C[5a,6a](C[5a,6a]C[5a]N[6a])(N[6a]C[5,6a])(C[5a]S[5a]H)	C[5a,6a](C[5a,6a]C[5a]N[6a])(N[6a]C[5,6a])(C[5a]S[5a]H){1|H<1>,2|C<3>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]2){1|H<1>,1|N<2>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]N[6a])(N[6a]C[5,6a])(C[5a]S[5a]H){1|H<1>,2|C<3>}	122.8745	0.351	2	122.8745	0.124	2	122.8745	0.124	2	124.5523	7.329	15	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:2:3:	3:3:	3:2:3:	C[5a,6a]-3:N[6a]-2:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:N[6a]-2:N[5a]-3:	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[6a]C[5a,6a])(C[5a]C[5a]H)	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]N[5a])	C[5a,6a](C[5a,6a]C[5a]N[6a])(N[6a]C[5a,6a])(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[6a]C[5a,6a])(C[5a]C[5a]H){1|C<4>,1|N<3>,2|C<3>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]N[5a]){1|C<4>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]N[6a])(N[6a]C[5a,6a])(N[5a]C[5a]C){1|H<1>,3|C<3>}	121.9510	0.605	2	121.9510	0.366	2	122.1015	0.153	4	124.5523	7.329	15	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:2:3:	3:3:	3:2:3:	C[5a,6a]-3:N[6a]-2:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:N[6a]-2:N[5a]-3:	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[6a]C[5a,6a])(C[5a]C[5a]H)	N[6a](C[5a,6a]C[5a,6a]C[5a])2	C[5a,6a](C[5a,6a]C[5a]N[6a])(N[6a]C[5a,6a])(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[6a]C[5a,6a])(C[5a]C[5a]H){1|C<4>,1|H<1>,2|C<3>}	N[6a](C[5a,6a]C[5a,6a]C[5a])2{1|N<2>,2|C<3>,2|H<1>,2|N<3>}	C[5a,6a](C[5a,6a]C[5a]N[6a])(N[6a]C[5a,6a])(N[5a]C[5a]C){1|C<3>,1|N<3>,2|H<1>}	122.2760	0.000	1	122.2520	0.001	2	122.1015	0.153	4	124.5523	7.329	15	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:2:3:	3:3:	3:2:3:	C[5a,6a]-3:N[6a]-2:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:N[6a]-2:N[5a]-3:	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[6a]C[5a,6a])(C[5a]C[5a]H)	N[6a](C[5a,6a]C[5a,6a]C[5a])2	C[5a,6a](C[5a,6a]C[5a]N[6a])(N[6a]C[5a,6a])(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[6a]C[5a,6a])(C[5a]C[5a]H){1|C<4>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]C[5a])2{1|N<2>,2|C<3>,2|H<1>,2|N<3>}	C[5a,6a](C[5a,6a]C[5a]N[6a])(N[6a]C[5a,6a])(N[5a]C[5a]C){1|H<1>,1|N<3>,2|C<3>}	122.2280	0.000	1	122.2520	0.001	2	122.1015	0.153	4	124.5523	7.329	15	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:2:3:	3:3:	3:2:3:	C[5a,6a]-3:N[6a]-2:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:N[6a]-2:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]N[6a])(N[6a]C[6a,6a])(C[5a]N[5a]C)	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]2)	C[5a,6a](C[5a,6a]C[5a]N[6a])(N[6a]C[6a,6a])(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[5a]N[6a])(N[6a]C[6a,6a])(C[5a]N[5a]C){1|Zn<5>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]2){1|N<2>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a]N[6a])(N[6a]C[6a,6a])(C[5a]N[5a]C){1|Zn<5>,3|C<3>}	122.5755	0.981	2	122.5755	0.962	2	122.5755	0.962	2	124.5523	7.329	15	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:2:3:	3:3:	3:2:3:	C[5a,6a]-3:N[6a]-2:N[5a]-3:	C[5a,6a]-3:C[5,6a]-3:	C[5a,6a]-3:S[6a]-2:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]S[6a])(N[6a]C[5,6a])(N[5a]N[5a]C)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]S[5])	C[5a,6a](C[5a,6a]N[5a]N[6a])(S[6a]C[5,6a])(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[5a]S[6a])(N[6a]C[5,6a])(N[5a]N[5a]C){1|C<3>,1|C<4>,1|S<2>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]S[5]){1|C<3>,1|C<4>,2|N<2>,2|S<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(S[6a]C[5,6a])(C[5a]N[5a]C){1|C<3>,1|C<4>,1|N<2>}	131.2440	0.000	1	131.2440	0.000	1	131.2440	0.000	1	124.5523	7.329	15	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:2:3:	3:3:	3:2:3:	C[5a,6a]-3:N[6a]-2:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:N[6a]-2:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]N[6a])(N[6a]C[5a,6a])(N[5a]C[5a]C)	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]N[5a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[6a]C[5a,6a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]N[6a])(N[6a]C[5a,6a])(N[5a]C[5a]C){1|H<1>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]N[5a]){1|C<4>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[6a]C[5a,6a])(C[5a]C[5a]H){1|C<4>,1|N<3>,2|C<3>}	126.6790	0.375	2	126.6790	0.140	2	126.4430	0.124	4	124.5523	7.329	15	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:2:3:	3:3:	3:2:3:	C[5a,6a]-3:N[6a]-2:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:N[6a]-2:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]N[6a])(N[6a]C[5a,6a])(N[5a]C[5a]C)	N[6a](C[5a,6a]C[5a,6a]N[5a])2	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[6a]C[5a,6a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]N[6a])(N[6a]C[5a,6a])(N[5a]C[5a]C){1|C<3>,1|N<3>,2|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])2{1|N<2>,2|C<4>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[6a]C[5a,6a])(C[5a]C[5a]H){1|C<4>,1|H<1>,2|C<3>}	126.1400	0.000	1	126.2070	0.009	2	126.4430	0.124	4	124.5523	7.329	15	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:2:3:	3:3:	3:2:3:	C[5a,6a]-3:N[6a]-2:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:N[6a]-2:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]N[6a])(N[6a]C[5a,6a])(N[5a]C[5a]C)	N[6a](C[5a,6a]C[5a,6a]N[5a])2	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[6a]C[5a,6a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]N[6a])(N[6a]C[5a,6a])(N[5a]C[5a]C){1|H<1>,1|N<3>,2|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])2{1|N<2>,2|C<4>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[6a]C[5a,6a])(C[5a]C[5a]H){1|C<4>,3|C<3>}	126.2740	0.000	1	126.2070	0.009	2	126.4430	0.124	4	124.5523	7.329	15	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:2:3:	3:3:	3:2:3:	C[5a,6a]-3:N[6a]-2:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:N[6a]-2:N[5a]-3:	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[6a]C[5a,6a])(N[5a]C[5a]C)	N[6a](C[5a,6a]C[5a,6a]N[5a])2	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[6a]C[5a,6a])(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[6a]C[5a,6a])(N[5a]C[5a]C){1|C<3>,1|C<4>,1|N<2>,1|O<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[6a]C[5a,6a])(N[5a]C[5a]C){1|C<3>,1|C<4>,1|N<2>,1|O<1>}	125.9815	0.244	2	125.9815	0.060	2	125.9815	0.060	2	124.5523	7.329	15	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:2:3:	3:3:	3:3:2:	C[5a,6a]-3:N[6a]-2:N[5a]-3:	C[5a,6a]-3:C[5,6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[5,6a])(N[5a]C[5a]H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]N[5,6a]N[5])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[5,6a]O)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[5,6a])(N[5a]C[5a]H){1|H<1>,1|O<1>,2|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]N[5,6a]N[5]){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[5,6a]O)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	128.4410	0.000	1	128.4410	0.000	1	128.4410	0.000	1	128.4410	0.000	1	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a,6a])(C[5a]O[5a]C)	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a,6a]H)(C[5a]O[5a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a,6a])(C[5a]O[5a]C){1|H<1>,1|O<2>,2|C<3>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,1|O<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a,6a]H)(C[5a]O[5a]O){3|C<3>}	125.2410	0.000	1	125.2410	0.000	1	125.2410	0.000	1	126.7597	1.102	4	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:N[5a]-3:	C[5a,6a]-3:C[5,6a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[5,6a])(N[5a]N[5a]H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]2)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5,6a]C[6a])(C[5a]N[5a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[5,6a])(N[5a]N[5a]H){1|O<1>,4|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]2){1|H<1>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5,6a]C[6a])(C[5a]N[5a]O){1|H<1>,5|C<3>}	126.8780	0.000	1	126.8780	0.000	1	126.8780	0.000	1	126.7597	1.102	4	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a,6a])(N[5a]N[5a]C)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a,6a]C[6a])(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a,6a])(N[5a]N[5a]C){1|C<4>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a]){1|C<4>,2|N<2>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a,6a]C[6a])(C[5a]N[5a]C){1|C<4>,4|C<3>}	127.4060	0.000	1	127.4060	0.000	1	127.4600	0.006	2	126.7597	1.102	4	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a,6a])(N[5a]O[5a]C)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a,6a]H)(C[5a]O[5a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a,6a])(N[5a]O[5a]C){1|H<1>,1|O<1>,2|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,1|O<2>,5|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a,6a]H)(C[5a]O[5a]O){3|C<3>}	127.5140	0.000	1	127.5140	0.000	1	127.4600	0.006	2	126.7597	1.102	4	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:2:	3:3:2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[5a,6a]-3:S[5a]-2:	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])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]N[6a])(S[5a]C[5a])	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>}	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[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]N[6a])(S[5a]C[5a]){1|N<2>,2|C<3>,3|H<1>}	123.4880	0.000	1	123.4880	0.000	1	123.4880	0.000	1	123.4880	0.000	1	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:2:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:N[6a]-2:	C[5a,6a]-3:C[5a,6a]-3:C[5a]-3:	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])	C[5a,6a](C[5a,6a]N[5a,6a]N[5a])(C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)	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>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]N[5a,6a]){1|C<4>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]N[5a])(C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H){1|C<4>,1|N<2>,2|C<3>}	128.7590	0.000	1	128.7590	0.000	1	128.7590	0.000	1	127.5005	1.197	4	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:2:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	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])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]N)	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>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]N[6a]){1|C<4>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]N){1|C<4>,1|N<2>}	126.5855	0.071	2	126.5855	0.005	2	126.5855	0.005	2	127.5005	1.197	4	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:2:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	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])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a]C[5a]H)(N[6a]N[6a]){4|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a]){1|H<1>,4|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C){1|N<2>,2|H<1>,3|C<3>}	128.0720	0.000	1	128.0720	0.000	1	128.0720	0.000	1	127.5005	1.197	4	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:2:	3:4:3:	C[5a,6a]-3:N[5,5a]-3:N[6a]-2:	C[5a,6a]-3:N[6a]-2:	C[5a,6a]-3:B[5a]-4:C[6a]-3:	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])	C[5a,6a](C[5a,6a]N[5,5a]N[6a])(B[5a]N[5,5a]FF)(C[6a]C[6a]2)	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>}	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[5a,6a](C[5a,6a]N[5,5a]N[6a])(B[5a]N[5,5a]FF)(C[6a]C[6a]2){1|N<2>,1|N<3>,4|C<3>}	128.8350	0.000	1	128.8350	0.000	1	128.9940	0.051	2	128.9940	0.051	2	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:2:	3:4:3:	C[5a,6a]-3:N[5,5a]-3:N[6a]-2:	C[5a,6a]-3:N[6a]-2:	C[5a,6a]-3:B[5a]-4:C[6a]-3:	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])	C[5a,6a](C[5a,6a]N[5,5a]N[6a])(B[5a]N[5,5a]FF)(C[6a]C[6a]C)	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>}	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[5a,6a](C[5a,6a]N[5,5a]N[6a])(B[5a]N[5,5a]FF)(C[6a]C[6a]C){1|N<2>,1|N<3>,2|C<3>}	129.1530	0.000	1	129.1530	0.000	1	128.9940	0.051	2	128.9940	0.051	2	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:2:2:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:N[6a]-2:S[5a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[6a]S[5a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[6a]C[6a,6a])(S[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[6a]S[5a])(N[6a]C[6a,6a]){1|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2){1|C<2>,1|N<2>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[6a]C[6a,6a])(S[5a]C[5a,6a]){4|C<3>}	121.9430	0.000	1	121.9430	0.000	1	121.9430	0.000	1	121.9430	0.000	1	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:2:3:	C[5a,5a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]S[5a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]N[6a]O)	C[5a,6a](C[5a,6a]C[5a,5a]N[6a])(S[5a]C[5a,5a])(C[6a]N[6a]O)	C[5a,6a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]S[5a])(N[6a]C[6a]){1|C<3>,1|O<1>,1|O<2>,1|S<2>,2|N<3>}	N[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]N[6a]O){1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,5a]N[6a])(S[5a]C[5a,5a])(C[6a]N[6a]O){1|S<2>,3|C<3>}	123.7120	0.000	1	123.7120	0.000	1	123.7120	0.000	1	124.7103	3.080	28	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]N[6a])	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(O[5a]C[5a,6a])(C[6a]N[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]N[6a]){1|O<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(O[5a]C[5a,6a])(C[6a]N[6a]C){3|C<3>}	122.1050	0.000	1	122.1050	0.000	1	123.8287	0.446	12	124.7103	3.080	28	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]N)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(O[5a]C[5a,6a])(C[6a]N[6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(N[6a]C[6a]){1|H<1>,1|O<1>,2|C<3>,2|N<3>}	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]N){1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(O[5a]C[5a,6a])(C[6a]N[6a]O){4|C<3>}	124.3847	0.256	4	124.3847	0.065	4	123.8287	0.446	12	124.7103	3.080	28	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]N[6])	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(O[5a]C[5a,6a])(C[6a]N[6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(N[6a]C[6a]){1|H<1>,1|O<1>,2|C<3>,2|N<3>}	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]N[6]){1|O<2>,2|C<4>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(O[5a]C[5a,6a])(C[6a]N[6a]O){4|C<3>}	123.9980	0.180	2	123.8553	0.077	3	123.8287	0.446	12	124.7103	3.080	28	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]N[6])	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(O[5a]C[5a,6a])(C[6a]N[6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(N[6a]C[6a]){1|H<1>,1|O<1>,2|C<3>,2|N<3>}	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]N[6]){1|O<2>,3|C<3>,3|C<4>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(O[5a]C[5a,6a])(C[6a]N[6a]O){1|C<4>,3|C<3>}	123.5700	0.000	1	123.8553	0.077	3	123.8287	0.446	12	124.7103	3.080	28	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(O[5a]C[5a,6a])(C[6a]N[6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(N[6a]C[6a]){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]O){1|C<4>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(O[5a]C[5a,6a])(C[6a]N[6a]O){1|C<4>,3|C<3>}	123.4450	0.068	2	123.6835	0.087	4	123.8287	0.446	12	124.7103	3.080	28	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(O[5a]C[5a,6a])(C[6a]N[6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(N[6a]C[6a]){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]O){1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(O[5a]C[5a,6a])(C[6a]N[6a]O){4|C<3>}	123.9220	0.165	2	123.6835	0.087	4	123.8287	0.446	12	124.7103	3.080	28	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[5a]N[6a])	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(S[5a]C[5a,6a])(C[6a]N[6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(N[6a]C[6a]){1|H<1>,1|O<1>,2|C<3>,2|N<3>}	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[5a]N[6a]){1|C<4>,1|S<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(S[5a]C[5a,6a])(C[6a]N[6a]O){1|C<4>,3|C<3>}	122.5310	0.000	1	122.5310	0.000	1	123.5687	0.505	7	124.7103	3.080	28	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]N)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(S[5a]C[5a,6a])(C[6a]N[6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(N[6a]C[6a]){1|H<1>,1|O<1>,2|C<3>,2|N<3>}	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]N){1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(S[5a]C[5a,6a])(C[6a]N[6a]O){4|C<3>}	124.1935	0.671	2	124.1935	0.450	2	123.5687	0.505	7	124.7103	3.080	28	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]N[6])	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(S[5a]C[5a,6a])(C[6a]N[6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(N[6a]C[6a]){1|H<1>,1|O<1>,2|C<3>,2|N<3>}	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]N[6]){1|S<2>,2|C<4>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(S[5a]C[5a,6a])(C[6a]N[6a]O){4|C<3>}	123.2987	0.267	3	123.2987	0.071	3	123.5687	0.505	7	124.7103	3.080	28	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(S[5a]C[5a,6a])(C[6a]N[6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(N[6a]C[6a]){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]O){1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(S[5a]C[5a,6a])(C[6a]N[6a]O){4|C<3>}	124.1670	0.000	1	124.1670	0.000	1	123.5687	0.505	7	124.7103	3.080	28	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:2:3:	C[5a,6a]-3:N[5a,6]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]N[6a])(N[5a]C[5a,6])(C[6a]N[6a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(N[6a]C[6a]){1|C<3>,1|N<2>,2|C<4>,3|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]N[6a]H){1|C<4>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]N[6a])(N[5a]C[5a,6])(C[6a]N[6a]C){1|C<4>,2|C<3>}	126.3365	0.056	2	126.3365	0.003	2	126.5005	0.041	4	124.7103	3.080	28	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:2:3:	C[5a,6a]-3:N[5a,6]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]N[6a])(N[5a]C[5a,6])(C[6a]N[6a]N)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<2>,1|N<3>,3|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]N[6a]H){1|C<4>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]N[6a])(N[5a]C[5a,6])(C[6a]N[6a]N){1|C<4>,2|C<3>}	126.6645	0.107	2	126.6645	0.011	2	126.5005	0.041	4	124.7103	3.080	28	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:2:3:	N[5a,5a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a](N[5a,5a]C[5a,6a]N[5a,5a])(C[5a,6a]C[6a]N[5a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,5a]N[6a])(N[5a]N[5a,5a])(C[6a]C[6a]H)	C[5a,6a](N[5a,5a]C[5a,6a]N[5a,5a])(C[5a,6a]C[6a]N[5a])(N[6a]C[6a]){1|N<2>,2|H<1>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a,5a]N[6a])(N[5a]N[5a,5a])(C[6a]C[6a]H){1|H<1>,1|N<2>,2|C<3>}	127.9310	0.000	1	127.9310	0.000	1	128.4490	0.537	2	124.7103	3.080	28	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:2:3:	N[5a,5a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a](N[5a,5a]C[5a,6a]N[5a,5a])(C[5a,6a]C[6a]N[5a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]N)	C[5a,6a](C[5a,6a]N[5a,5a]N[6a])(N[5a]N[5a,5a])(C[6a]C[6a]N)	C[5a,6a](N[5a,5a]C[5a,6a]N[5a,5a])(C[5a,6a]C[6a]N[5a])(N[6a]C[6a]){3|C<3>,3|N<2>}	N[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]N){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a,5a]N[6a])(N[5a]N[5a,5a])(C[6a]C[6a]N){1|H<1>,1|N<2>,2|C<3>}	128.9670	0.000	1	128.9670	0.000	1	128.4490	0.537	2	124.7103	3.080	28	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:2:3:	N[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]N[6a])(N[5a]C[5a,6a])(C[6a]N[6a]C)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]N[6a]H){1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]N[6a])(N[5a]C[5a,6a])(C[6a]N[6a]C){3|C<3>}	126.1310	0.000	1	126.1310	0.000	1	127.1755	2.182	2	124.7103	3.080	28	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:2:3:	N[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]N[5a,6a]N[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[6a]C[6a]){2|H<1>,4|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]2){1|N<2>,6|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]N[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){4|C<3>}	128.2200	0.000	1	128.2200	0.000	1	127.1755	2.182	2	124.7103	3.080	28	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a]-3:C[6a,6a]-3:	C[5a,6]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]N[6a])(N[6a]C[6a,6a])	N[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a,6a]C[6a,6a]C[6a])	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]N[6a])(N[6a]C[6a,6a])	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]N[6a])(N[6a]C[6a,6a]){1|B<4>,1|N<2>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,1|N<3>,2|N<2>,3|C<3>}	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]N[6a])(N[6a]C[6a,6a]){1|B<4>,1|N<2>,3|C<3>}	122.7150	0.000	1	122.7150	0.000	1	122.7150	0.000	1	126.2880	3.280	427	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6]N[5a,6]N[6])(C[5a,6a]C[5a]N[6a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6]N[6a])(C[5a]N[5a,6]C[6a])(N[6a]C[6a])	C[5a,6a](C[5a,6]N[5a,6]N[6])(C[5a,6a]C[5a]N[6a])(N[6a]C[6a]){1|B<4>,1|C<4>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]C){1|C<3>,1|C<4>,1|N<3>,2|N<2>}	C[5a,6a](C[5a,6a]C[5a,6]N[6a])(C[5a]N[5a,6]C[6a])(N[6a]C[6a]){1|B<4>,1|C<4>,1|N<2>,3|C<3>}	123.5800	0.000	1	123.5800	0.000	1	123.5800	0.000	1	126.2880	3.280	427	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(N[6a]C[5,6a])	N[6a](C[5,6a]N[5,6a]N[5])(C[5a,6a]C[5a,6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[6a]N[5,6a]O)(O[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(N[6a]C[5,6a]){1|H<1>,1|O<1>,2|C<3>,2|N<3>}	N[6a](C[5,6a]N[5,6a]N[5])(C[5a,6a]C[5a,6a]2){1|C<4>,1|O<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[6a]N[5,6a]O)(O[5a]C[5a,6a]){1|C<4>,3|C<3>}	124.7770	0.000	1	124.7770	0.000	1	124.7770	0.000	1	126.2880	3.280	427	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(N[6a]C[5,6a])	N[6a](C[5,6a]N[5,6a]N[5])(C[5a,6a]C[5a,6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[6a]N[5,6a]O)(S[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(N[6a]C[5,6a]){1|H<1>,1|O<1>,2|C<3>,2|N<3>}	N[6a](C[5,6a]N[5,6a]N[5])(C[5a,6a]C[5a,6a]2){1|C<4>,1|S<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[6a]N[5,6a]O)(S[5a]C[5a,6a]){1|C<4>,3|C<3>}	124.3330	0.000	1	124.3330	0.000	1	124.3330	0.000	1	126.2880	3.280	427	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]N[6a])(N[6a]C[5a,6a])	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a,6a]O)(N[6a]C[5a,6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]N[6a])(N[6a]C[5a,6a]){1|H<1>,1|O<1>,4|C<3>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]2){1|N<2>,1|O<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a,6a]O)(N[6a]C[5a,6a]){4|C<3>}	122.3660	0.000	1	122.3660	0.000	1	122.3660	0.000	1	126.2880	3.280	427	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(N[6a]C[5a,6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[5a,6a]H)(O[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(N[6a]C[5a,6a]){1|N<3>,2|H<1>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2){1|N<2>,1|O<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[5a,6a]H)(O[5a]C[5a,6a]){4|C<3>}	125.0030	0.000	1	125.0030	0.000	1	125.0030	0.000	1	126.2880	3.280	427	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(N[6a]C[5a,6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]C)(N[6a]C[5a,6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(N[6a]C[5a,6a]){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2){1|C<4>,1|N<2>,1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]C)(N[6a]C[5a,6a]){4|C<3>}	122.5900	0.000	1	122.5900	0.000	1	123.3985	1.307	2	126.2880	3.280	427	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(N[6a]C[5a,6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]C[6a])(N[6a]C[5a,6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(N[6a]C[5a,6a]){1|H<1>,1|N<2>,4|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2){1|N<3>,1|O<2>,2|C<3>,2|N<2>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]C[6a])(N[6a]C[5a,6a]){1|N<2>,5|C<3>}	124.2070	0.000	1	124.2070	0.000	1	123.3985	1.307	2	126.2880	3.280	427	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(N[6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]C)(N[6a]C[6a]){1|H<1>,3|C<3>}	121.4730	0.000	1	121.3585	0.125	6	121.3593	0.104	7	126.2880	3.280	427	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(N[6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2){1|N<2>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]C)(N[6a]C[6a]){4|C<3>}	121.3356	0.390	5	121.3585	0.125	6	121.3593	0.104	7	126.2880	3.280	427	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]S)(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(N[6a]C[6a]){1|C<4>,1|H<1>,1|S<4>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C){1|N<2>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]S)(N[6a]C[6a]){4|C<3>}	121.3640	0.000	1	121.3640	0.000	1	121.3593	0.104	7	126.2880	3.280	427	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]C)(N[6a]C[6a,6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(N[6a]C[6a,6a]){1|C<4>,1|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]C)(N[6a]C[6a,6a]){4|C<3>}	123.1540	0.000	1	123.1540	0.000	1	122.5504	0.237	8	126.2880	3.280	427	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]C[6])(N[6a]C[6a,6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(N[6a]C[6a,6a]){1|C<4>,1|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]C[6])(N[6a]C[6a,6a]){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	121.9585	0.108	2	121.9585	0.012	2	122.5504	0.237	8	126.2880	3.280	427	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]C[6a])(N[6a]C[6a,6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(N[6a]C[6a,6a]){1|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]C[6a])(N[6a]C[6a,6a]){6|C<3>}	122.5263	0.201	4	122.5263	0.040	4	122.5504	0.237	8	126.2880	3.280	427	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]H)(N[6a]C[6a,6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(N[6a]C[6a,6a]){2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]H)(N[6a]C[6a,6a]){4|C<3>}	123.2270	0.000	1	123.2270	0.000	1	122.5504	0.237	8	126.2880	3.280	427	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a,6a]O)(N[6a]C[5a,6a])	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]N[6a])(N[6a]C[5a,6a])	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a,6a]O)(N[6a]C[5a,6a]){4|C<3>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]2){1|N<2>,1|O<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]N[6a])(N[6a]C[5a,6a]){1|H<1>,1|O<1>,4|C<3>}	126.3940	0.000	1	126.3940	0.000	1	126.3940	0.000	1	126.2880	3.280	427	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]C[5a,6]N[6a])(C[5a]N[5a,6]C[6a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)	C[5a,6a](C[5a,6]N[5a,6]N[6])(C[5a,6a]C[5a]N[6a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6]N[6a])(C[5a]N[5a,6]C[6a])(N[6a]C[6a]){1|B<4>,1|C<4>,1|N<2>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6]N[5a,6]N[6])(C[5a,6a]C[5a]N[6a])(N[6a]C[6a]){1|B<4>,1|C<4>,3|C<3>}	122.6510	0.000	1	122.6510	0.000	1	122.6510	0.000	1	126.2880	3.280	427	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]N[5a]N)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]N[5a]N)(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]N[5a]N)(N[6a]C[6a]){1|Pt<4>,1|N<2>,2|C<3>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2){1|N<3>,2|N<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]N[5a]N)(N[6a]C[6a]){1|Pt<4>,1|N<2>,2|C<3>}	123.3290	0.066	2	123.3290	0.004	2	122.4650	2.213	21	126.2880	3.280	427	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]O[5a]C[5])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]O[5a]C[5])(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]O[5a]C[5])(N[6a]C[6a]){1|H<1>,2|C<3>,2|S<2>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]O[5a]C[5])(N[6a]C[6a]){1|H<1>,2|C<3>,2|S<2>}	123.3777	1.934	8	123.3777	3.739	8	122.4650	2.213	21	126.2880	3.280	427	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]S[5a]Br)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]S[5a]Br)(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]S[5a]Br)(N[6a]C[6a]){1|Br<1>,1|C<3>,1|C<4>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C){1|Br<1>,1|C<3>,1|C<4>,1|N<2>,1|S<2>}	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]S[5a]Br)(N[6a]C[6a]){1|Br<1>,1|C<3>,1|C<4>}	121.2470	0.000	1	121.2470	0.000	1	122.4650	2.213	21	126.2880	3.280	427	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]S[5a]C)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]S[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]S[5a]C)(N[6a]C[6a]){1|C<2>,2|C<3>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2){1|C<2>,1|N<2>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]S[5a]C)(N[6a]C[6a]){1|C<2>,2|C<3>}	121.5350	0.351	2	121.5350	0.123	2	122.4650	2.213	21	126.2880	3.280	427	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]S[5a]C[5])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]S[5a]C[5])(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]S[5a]C[5])(N[6a]C[6a]){1|Fe<10>,1|C<3>,1|H<1>,3|C<4>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|S<2>}	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]S[5a]C[5])(N[6a]C[6a]){1|Fe<10>,1|C<3>,1|H<1>,3|C<4>}	121.9630	1.114	2	121.9630	1.242	2	122.4650	2.213	21	126.2880	3.280	427	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]S[5a]H)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]S[5a]H)(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]S[5a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|S<2>}	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]S[5a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,1|H<1>}	121.4993	0.376	4	121.4993	0.141	4	122.4650	2.213	21	126.2880	3.280	427	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]S[5a]Si)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]S[5a]Si)(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]S[5a]Si)(N[6a]C[6a]){1|Si<4>,1|C<3>,1|C<4>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C){1|Si<4>,1|C<3>,1|C<4>,1|N<2>,1|S<2>}	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]S[5a]Si)(N[6a]C[6a]){1|Si<4>,1|C<3>,1|C<4>}	121.9220	0.327	2	121.9220	0.107	2	122.4650	2.213	21	126.2880	3.280	427	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]Br)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]N[6a]O)(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]Br)(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<2>,1|O<2>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H){1|Br<1>,1|C<3>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]N[6a]O)(N[5a]N[5a]){1|Br<1>,1|C<3>,1|C<4>}	120.9810	0.000	1	120.9810	0.000	1	123.0003	4.474	3	126.2880	3.280	427	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]S[5a]Br)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]N)	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]N[6a]O)(N[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]S[5a]Br)(N[6a]C[6a]){1|N<2>,1|N<3>,1|O<1>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]N){1|Br<1>,1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]N[6a]O)(N[5a]S[5a]){1|Br<1>,1|C<3>,1|H<1>}	125.2000	0.000	1	125.2000	0.000	1	123.0003	4.474	3	126.2880	3.280	427	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]S[5a]C[5])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]N[6a]N)(N[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]S[5a]C[5])(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|H<1>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H){1|C<3>,1|C<4>,1|N<2>,1|S<2>}	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]N[6a]N)(N[5a]S[5a]){1|C<3>,1|C<4>}	122.8200	0.000	1	122.8200	0.000	1	123.0003	4.474	3	126.2880	3.280	427	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]I)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(O[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]I)(N[6a]C[6a]){1|C<4>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2){1|H<1>,1|I<1>,1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(O[5a]C[5a]){1|H<1>,1|I<1>,2|C<3>}	123.6580	0.000	1	123.6580	0.000	1	123.6580	0.000	1	126.2880	3.280	427	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N[6a])	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]N[6a]Cl)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(N[6a]C[6a]){1|Cl<1>,1|C<3>,1|I<1>,1|N<2>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N[6a]){1|H<1>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]N[6a]Cl)(S[5a]C[5a]){1|C<3>,1|H<1>,1|I<1>}	122.0970	0.000	1	122.0970	0.000	1	122.3710	0.840	4	126.2880	3.280	427	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]N[6a]N)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(N[6a]C[6a]){1|N<2>,1|N<3>,2|H<1>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H){1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]N[6a]N)(S[5a]C[5a]){1|C<3>,2|H<1>}	121.8275	0.025	2	121.8275	0.001	2	122.3710	0.840	4	126.2880	3.280	427	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]N)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]C)	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]N[6a]O)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]N)(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]C){1|C<4>,1|N<3>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]N[6a]O)(S[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	123.7320	0.000	1	123.7320	0.000	1	122.3710	0.840	4	126.2880	3.280	427	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a]N[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(N[6a]C[6a]){3|C<3>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C){1|C<4>,2|N<2>,2|N<3>}	C[5a,6a](C[5a,6a]C[5a]N[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a]){1|C<4>,1|N<3>,3|C<3>}	121.4970	0.000	1	121.4970	0.000	1	121.5820	0.014	2	126.2880	3.280	427	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C[5])	C[5a,6a](C[5a,6a]C[5a]N[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(N[6a]C[6a]){3|C<3>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C[5]){1|C<4>,3|N<2>,3|N<3>}	C[5a,6a](C[5a,6a]C[5a]N[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a]){1|C<4>,1|N<3>,3|C<3>}	121.6670	0.000	1	121.6670	0.000	1	121.5820	0.014	2	126.2880	3.280	427	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[5a,6a]C)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]N[6a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[5a,6a]C)(N[6a]C[6a]){1|H<1>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H){1|C<2>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]N[6a])(N[6a]C[6a]){1|C<2>,2|H<1>,3|C<3>}	122.0050	0.000	1	122.0050	0.000	1	122.0050	0.000	1	126.2880	3.280	427	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]N[5a,6a]S[5a])(C[5a]C[5a]H)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[5a,6a]O)	C[5a,6a](N[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a]N[6a])(S[5a]C[5a])	C[5a,6a](C[5a,6a]N[5a,6a]S[5a])(C[5a]C[5a]H)(N[6a]C[6a]){1|H<1>,1|O<2>,2|C<3>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[5a,6a]O){1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a]N[6a])(S[5a]C[5a]){3|C<3>,3|H<1>}	123.1270	0.000	1	123.1270	0.000	1	123.1270	0.000	1	126.2880	3.280	427	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]C)(N[6a]C[5a,6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(N[6a]C[5a,6a])	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]C)(N[6a]C[5a,6a]){4|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2){1|C<4>,1|N<2>,1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(N[6a]C[5a,6a]){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	125.7070	0.000	1	125.7070	0.000	1	125.9375	0.106	2	126.2880	3.280	427	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]C[6a])(N[6a]C[5a,6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(N[6a]C[5a,6a])	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]C[6a])(N[6a]C[5a,6a]){1|N<2>,5|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])2{1|O<2>,2|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(N[6a]C[5a,6a]){1|H<1>,1|N<2>,4|C<3>}	126.1680	0.000	1	126.1680	0.000	1	125.9375	0.106	2	126.2880	3.280	427	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[6a]N[5a])(N[6a]C[5a,6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]N[5a,6a]N[5a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[5a,6a]O)(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[6a]N[5a])(N[6a]C[5a,6a]){1|O<1>,2|C<3>,2|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]N[5a,6a]N[5a]){3|N<2>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[5a,6a]O)(N[5a]N[5a]){1|N<2>,2|C<3>}	128.9690	0.000	1	128.9690	0.000	1	128.9690	0.000	1	126.2880	3.280	427	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]C)(N[6a]C[6a,6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(N[6a]C[6a,6a])	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]C)(N[6a]C[6a,6a]){4|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a]){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(N[6a]C[6a,6a]){1|C<4>,1|H<1>,4|C<3>}	124.8740	0.000	1	124.8740	0.000	1	125.4126	0.295	8	126.2880	3.280	427	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]C[6])(N[6a]C[6a,6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(N[6a]C[6a,6a])	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]C[6])(N[6a]C[6a,6a]){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a]){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(N[6a]C[6a,6a]){1|C<4>,1|H<1>,4|C<3>}	125.9705	0.443	2	125.9705	0.197	2	125.4126	0.295	8	126.2880	3.280	427	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]C[6a])(N[6a]C[6a,6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(N[6a]C[6a,6a])	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]C[6a])(N[6a]C[6a,6a]){6|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,1|N<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(N[6a]C[6a,6a]){1|H<1>,5|C<3>}	125.1003	0.196	4	125.1003	0.038	4	125.4126	0.295	8	126.2880	3.280	427	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]H)(N[6a]C[6a,6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(N[6a]C[6a,6a])	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]H)(N[6a]C[6a,6a]){4|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a]){1|N<2>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(N[6a]C[6a,6a]){2|H<1>,4|C<3>}	126.0850	0.000	1	126.0850	0.000	1	125.4126	0.295	8	126.2880	3.280	427	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[5a,6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]N[5a])(C[5a,6a]N[5a]N[6a])(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|N<2>,1|N<3>,2|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[5a,6a]H){1|C<4>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]N[5a])(C[5a,6a]N[5a]N[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	128.0468	0.577	4	128.0468	0.333	4	128.0468	0.333	4	126.2880	3.280	427	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]C)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]C)(N[6a]C[6a]){4|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2){1|C<4>,1|N<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(N[6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	124.4417	0.285	4	124.4417	0.081	4	124.3913	0.085	7	126.2880	3.280	427	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]C)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]C)(N[6a]C[6a]){4|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C){1|C<4>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(N[6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	124.0030	0.000	1	124.0030	0.000	1	124.3913	0.085	7	126.2880	3.280	427	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]C)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]C)(N[6a]C[6a]){1|H<1>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(N[6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	124.6940	0.000	1	124.6940	0.000	1	124.3913	0.085	7	126.2880	3.280	427	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]S)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]S)(N[6a]C[6a]){4|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2){1|C<4>,1|N<2>,1|S<4>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(N[6a]C[6a]){1|C<4>,1|H<1>,1|S<4>,3|C<3>}	124.2750	0.000	1	124.2750	0.000	1	124.3913	0.085	7	126.2880	3.280	427	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]C[5a]N[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a]N[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a]){1|C<4>,1|N<3>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N){2|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(N[6a]C[6a]){3|C<3>}	124.8920	0.332	2	124.8920	0.110	2	124.8920	0.110	2	126.2880	3.280	427	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[4,5]C[5a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[4,5]C[5a])(N[6a]C[6a]){1|N<2>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|C<4>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	127.0030	0.000	1	127.0030	0.000	1	126.9579	0.848	342	126.2880	3.280	427	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){2|C<3>,2|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Br<1>,1|C<4>,2|C<3>}	127.6662	0.501	11	127.6662	0.251	11	126.9579	0.848	342	126.2880	3.280	427	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|C<3>,1|N<3>,2|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	129.2890	0.000	1	129.2890	0.000	1	126.9579	0.848	342	126.2880	3.280	427	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|N<2>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a]){1|C<4>,1|N<2>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a]){1|C<4>,4|C<3>}	127.0670	0.000	1	127.0670	0.000	1	126.9579	0.848	342	126.2880	3.280	427	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[5a]N[6a])(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a]){1|C<4>,1|N<2>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[5a]N[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	127.3155	0.001	2	127.3155	0.000	2	126.9579	0.848	342	126.2880	3.280	427	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|H<1>,1|O<2>,2|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	127.7950	0.000	1	127.7950	0.000	1	126.9579	0.848	342	126.2880	3.280	427	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]Cl)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5a]N[6a])(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]Cl){1|C<4>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5a]N[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	126.7020	0.084	3	126.7020	0.007	3	126.9579	0.848	342	126.2880	3.280	427	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]Cl)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]Cl){1|C<4>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	126.8670	0.000	1	126.8670	0.000	1	126.9579	0.848	342	126.2880	3.280	427	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]Cl)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){2|Cl<1>,1|H<1>,1|N<2>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]Cl){1|C<4>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	126.4463	0.030	3	126.4463	0.001	3	126.9579	0.848	342	126.2880	3.280	427	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]Cl)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|Cl<1>,1|H<1>,1|N<2>,1|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]Cl){1|C<4>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	127.1293	0.348	10	127.1293	0.121	10	126.9579	0.848	342	126.2880	3.280	427	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]Cl)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]P)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|Cl<1>,1|H<1>,1|N<2>,1|P<4>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]Cl){1|C<4>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]P)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	126.3950	0.000	1	126.3950	0.000	1	126.9579	0.848	342	126.2880	3.280	427	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5a]N[6a])(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|C<3>,1|N<2>,2|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|C<4>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5a]N[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	126.7380	0.000	1	126.7287	0.012	3	126.9579	0.848	342	126.2880	3.280	427	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5a]N[6a])(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|C<3>,1|N<2>,2|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|C<4>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5a]N[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	126.7240	0.156	2	126.7287	0.012	3	126.9579	0.848	342	126.2880	3.280	427	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|C<3>,1|N<2>,2|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|C<4>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	126.5449	0.485	15	126.5846	0.220	17	126.9579	0.848	342	126.2880	3.280	427	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|H<1>,1|N<2>,2|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|C<4>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a]){1|C<4>,4|C<3>}	126.8820	0.130	2	126.5846	0.220	17	126.9579	0.848	342	126.2880	3.280	427	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]C[3])(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|C<4>,1|N<2>,2|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|C<4>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]C[3])(N[5a]C[5a]){1|C<3>,2|H<1>,3|C<4>}	126.1470	0.000	1	126.1470	0.000	1	126.9579	0.848	342	126.2880	3.280	427	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|Cl<1>,1|N<2>,2|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|C<4>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	126.2050	0.350	11	126.2050	0.123	11	126.9579	0.848	342	126.2880	3.280	427	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|C<4>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<4>,2|C<3>}	128.7260	0.000	1	126.9146	0.506	43	126.9579	0.848	342	126.2880	3.280	427	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,1|S<2>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|C<4>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|S<2>}	126.5603	0.507	3	126.9146	0.506	43	126.9579	0.848	342	126.2880	3.280	427	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|N<2>,1|N<3>,2|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|C<4>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	126.9004	0.679	38	126.9146	0.506	43	126.9579	0.848	342	126.2880	3.280	427	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|Pt<4>,1|H<1>,1|N<2>,1|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|C<4>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|Pt<4>,1|C<3>,1|C<4>}	126.7030	0.000	1	126.9146	0.506	43	126.9579	0.848	342	126.2880	3.280	427	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|N<3>,1|O<1>,2|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|Pt<4>,1|C<4>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]){1|Pt<4>,1|C<3>,1|C<4>,1|H<1>}	127.7580	0.000	1	127.7580	0.000	1	126.9579	0.848	342	126.2880	3.280	427	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]P)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|N<2>,1|P<4>,2|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|C<4>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]P)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	126.4070	0.171	2	126.4070	0.029	2	126.9579	0.848	342	126.2880	3.280	427	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]S)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|H<1>,1|N<2>,2|S<2>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|C<4>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]S)(N[5a]C[5a]){1|C<3>,1|C<4>,1|S<2>}	126.0660	0.000	1	125.9522	0.104	5	126.9579	0.848	342	126.2880	3.280	427	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]S)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|N<2>,1|S<2>,2|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]S)(N[5a]C[5a]){1|H<1>,2|C<3>}	125.9237	0.365	4	125.9522	0.104	5	126.9579	0.848	342	126.2880	3.280	427	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|Cl<1>,1|H<1>,1|N<2>,1|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N){1|C<4>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	127.4313	0.102	3	127.1484	0.156	5	126.9579	0.848	342	126.2880	3.280	427	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|Cl<1>,1|H<1>,1|N<2>,1|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N){1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]){1|H<1>,2|C<3>}	126.7240	0.065	2	127.1484	0.156	5	126.9579	0.848	342	126.2880	3.280	427	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|N<2>,1|N<3>,2|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N){1|C<4>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	126.9696	0.346	5	126.9696	0.119	5	126.9579	0.848	342	126.2880	3.280	427	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|C<2>,1|N<2>,2|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N){1|C<4>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<2>,1|C<3>,1|C<4>}	127.7330	0.000	1	127.4618	0.218	11	126.9579	0.848	342	126.2880	3.280	427	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|C<3>,1|N<2>,2|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N){1|C<4>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<4>,2|C<3>}	127.6493	0.171	3	127.4618	0.218	11	126.9579	0.848	342	126.2880	3.280	427	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|H<1>,1|N<2>,2|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N){1|C<4>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	127.5026	0.522	5	127.4618	0.218	11	126.9579	0.848	342	126.2880	3.280	427	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|H<1>,1|N<3>,2|N<2>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N){1|C<4>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	126.5530	0.000	1	127.4618	0.218	11	126.9579	0.848	342	126.2880	3.280	427	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|H<1>,3|N<2>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N){1|C<4>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	127.3330	0.000	1	127.4618	0.218	11	126.9579	0.848	342	126.2880	3.280	427	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,1|O<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	128.1210	0.000	1	128.2574	0.867	20	126.9579	0.848	342	126.2880	3.280	427	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,1|O<2>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N){1|C<4>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	125.6140	0.000	1	128.2574	0.867	20	126.9579	0.848	342	126.2880	3.280	427	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|H<1>,1|O<1>,2|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	128.4118	0.729	18	128.2574	0.867	20	126.9579	0.848	342	126.2880	3.280	427	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]S)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,1|S<2>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N){1|C<4>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]S)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	126.5420	0.000	1	126.5420	0.000	1	126.9579	0.848	342	126.2880	3.280	427	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]C[4])(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O){1|N<2>,2|C<3>,2|C<4>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]C[4])(N[5a]C[5a]){1|C<3>,2|H<1>,4|C<4>}	128.4325	0.402	2	128.4325	0.162	2	126.9579	0.848	342	126.2880	3.280	427	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,1|O<2>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O){1|C<4>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	128.1000	0.000	1	128.1000	0.000	1	126.9579	0.848	342	126.2880	3.280	427	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]S)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]S)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|H<1>,1|N<2>,2|S<2>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]S){1|C<4>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]S)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	126.7300	0.000	1	126.7300	0.000	1	126.9579	0.848	342	126.2880	3.280	427	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[4])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]D)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[4])(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|D<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]D){1|C<4>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|D<1>}	127.0950	0.000	1	127.0950	0.000	1	126.9579	0.848	342	126.2880	3.280	427	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[4])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[4])(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|C<4>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	127.1880	0.668	2	127.1880	0.446	2	126.9579	0.848	342	126.2880	3.280	427	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]Cl)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[5a]N[6a])(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|Cl<1>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]Cl){1|C<4>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[5a]N[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	126.9420	0.000	1	126.9420	0.000	1	126.9579	0.848	342	126.2880	3.280	427	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]Cl)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a]){2|Cl<1>,1|C<4>,1|N<2>,1|O<2>,2|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]Cl){1|C<4>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	126.6515	0.001	2	126.5760	0.017	3	126.9579	0.848	342	126.2880	3.280	427	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]Cl)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a]){2|Cl<1>,1|N<2>,2|C<4>,2|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]Cl){1|C<4>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	126.4250	0.000	1	126.5760	0.017	3	126.9579	0.848	342	126.2880	3.280	427	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]Cl)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>,1|N<3>,2|C<4>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]Cl){1|C<4>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	128.4210	0.000	1	127.3200	2.424	2	126.9579	0.848	342	126.2880	3.280	427	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]Cl)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|Cl<1>,1|C<4>,1|O<2>,2|H<1>,2|N<2>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]Cl){1|C<4>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	126.2190	0.000	1	127.3200	2.424	2	126.9579	0.848	342	126.2880	3.280	427	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[5a]N[6a])(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|C<4>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[5a]N[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	125.9520	0.000	1	127.0920	1.232	3	126.9579	0.848	342	126.2880	3.280	427	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[5a]N[6a])(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|C<4>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[5a]N[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	127.6620	0.717	2	127.0920	1.232	3	126.9579	0.848	342	126.2880	3.280	427	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|Cl<1>,1|C<3>,1|N<2>,2|C<4>,2|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|C<4>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	126.9820	0.000	1	126.6497	0.739	9	126.9579	0.848	342	126.2880	3.280	427	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|Cl<1>,1|N<2>,2|C<4>,3|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|C<4>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	126.6794	0.958	7	126.6497	0.739	9	126.9579	0.848	342	126.2880	3.280	427	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|Cl<1>,1|Se<2>,1|C<4>,1|N<2>,3|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|C<4>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	126.1090	0.000	1	126.6497	0.739	9	126.9579	0.848	342	126.2880	3.280	427	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|C<4>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<4>,2|C<3>}	125.9624	0.482	21	126.3723	0.343	45	126.9579	0.848	342	126.2880	3.280	427	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<2>,1|N<3>,3|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|C<4>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	126.9070	0.000	1	126.3723	0.343	45	126.9579	0.848	342	126.2880	3.280	427	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|C<4>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	126.6674	0.464	17	126.3723	0.343	45	126.9579	0.848	342	126.2880	3.280	427	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|N<2>,1|N<3>,2|C<4>,3|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|C<4>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	126.8818	0.163	6	126.3723	0.343	45	126.9579	0.848	342	126.2880	3.280	427	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	127.9682	0.475	4	127.9682	0.225	4	126.9579	0.848	342	126.2880	3.280	427	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|Cl<1>,1|Se<2>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N){1|C<4>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	127.0700	0.000	1	127.0700	0.000	1	126.9579	0.848	342	126.2880	3.280	427	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<2>,2|H<1>,2|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N){1|C<4>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	127.4075	0.333	2	127.4075	0.111	2	126.9579	0.848	342	126.2880	3.280	427	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|C<2>,1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]){1|C<2>,1|C<3>,1|C<4>,1|H<1>}	127.9030	0.000	1	128.2339	0.535	16	126.9579	0.848	342	126.2880	3.280	427	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	128.5475	0.586	2	128.2339	0.535	16	126.9579	0.848	342	126.2880	3.280	427	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	127.0360	0.000	1	128.2339	0.535	16	126.9579	0.848	342	126.2880	3.280	427	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,2|H<1>,2|O<2>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N){1|C<4>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	127.7860	0.000	1	128.2339	0.535	16	126.9579	0.848	342	126.2880	3.280	427	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|C<4>,1|O<1>,1|O<2>,2|H<1>,2|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	128.2377	0.668	10	128.2339	0.535	16	126.9579	0.848	342	126.2880	3.280	427	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|O<1>,2|C<4>,2|H<1>,2|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	129.5460	0.000	1	128.2339	0.535	16	126.9579	0.848	342	126.2880	3.280	427	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]Cl)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6])(N[6a]C[6a]){2|Cl<1>,1|C<3>,1|C<4>,1|N<2>,2|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]Cl){1|C<4>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	126.5930	0.037	2	126.5930	0.001	2	126.9579	0.848	342	126.2880	3.280	427	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]Cl)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6])(N[6a]C[6a]){1|Cl<1>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]Cl){1|C<4>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	126.8845	0.213	2	126.8845	0.045	2	126.9579	0.848	342	126.2880	3.280	427	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6])(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|C<4>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	127.3970	0.000	1	127.3970	0.000	1	126.9579	0.848	342	126.2880	3.280	427	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6])(N[6a]C[6a]){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	127.7407	0.843	6	127.7407	0.711	6	126.9579	0.848	342	126.2880	3.280	427	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6])(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N){1|C<4>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	126.5840	0.000	1	126.5840	0.000	1	126.9579	0.848	342	126.2880	3.280	427	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]Cl)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(N[6a]C[6a]){2|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]Cl){1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]){1|H<1>,2|C<3>}	125.9740	0.000	1	125.9740	0.000	1	126.9579	0.848	342	126.2880	3.280	427	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(N[6a]C[6a]){1|N<2>,2|H<1>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a]){1|H<1>,4|C<3>}	125.9750	0.000	1	125.9750	0.000	1	126.9579	0.848	342	126.2880	3.280	427	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]C)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]C)(N[5a]C[5a]){3|C<3>}	125.7730	0.000	1	125.7730	0.000	1	126.9579	0.848	342	126.2880	3.280	427	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){3|C<3>}	127.1730	0.543	2	127.0550	0.190	4	126.9579	0.848	342	126.2880	3.280	427	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(N[6a]C[6a]){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|H<1>,2|C<3>}	126.9370	0.468	2	127.0550	0.190	4	126.9579	0.848	342	126.2880	3.280	427	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(N[6a]C[6a]){1|Cl<1>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N){1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]){1|H<1>,2|C<3>}	127.2350	0.000	1	127.2350	0.000	1	126.9579	0.848	342	126.2880	3.280	427	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(N[6a]C[6a]){1|H<1>,1|O<1>,2|C<3>,2|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N){1|N<2>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]){1|H<1>,3|C<3>}	127.9830	0.000	1	127.9830	0.000	1	126.9579	0.848	342	126.2880	3.280	427	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(N[6a]C[6a]){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O){1|N<2>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]){1|H<1>,3|C<3>}	127.9740	0.000	1	127.9740	0.000	1	126.9579	0.848	342	126.2880	3.280	427	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Co)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Co)(N[6a]C[6a]){1|Cl<1>,1|N<2>,2|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|Co<6>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]){1|Co<6>,1|C<3>,1|H<1>}	124.3170	0.000	1	124.3170	0.000	1	126.9579	0.848	342	126.2880	3.280	427	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Co)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Co)(N[6a]C[6a]){1|N<2>,1|N<3>,2|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|Co<6>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|Co<6>,1|C<3>,1|H<1>}	125.2795	0.415	2	125.2795	0.172	2	126.9579	0.848	342	126.2880	3.280	427	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]H)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]H)(N[6a]C[6a]){1|Br<1>,1|C<4>,2|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br){1|Br<1>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|Br<1>,1|H<1>,2|C<3>}	123.1630	0.000	1	123.1630	0.000	1	126.9579	0.848	342	126.2880	3.280	427	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]H)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,2|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Br<1>,1|C<3>,1|C<4>,1|H<1>}	126.8060	0.000	1	126.7872	0.149	6	126.9579	0.848	342	126.2880	3.280	427	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]H)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,2|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	127.4810	0.000	1	126.7872	0.149	6	126.9579	0.848	342	126.2880	3.280	427	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]H)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]H)(N[6a]C[6a]){1|C<3>,3|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,3|H<1>}	126.6397	0.249	3	126.7872	0.149	6	126.9579	0.848	342	126.2880	3.280	427	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]H)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]H)(N[6a]C[6a]){2|C<3>,2|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	126.5170	0.000	1	126.7872	0.149	6	126.9579	0.848	342	126.2880	3.280	427	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]H)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]Cl)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[5a]N[6a])(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]H)(N[6a]C[6a]){1|Cl<1>,1|H<1>,1|N<2>,1|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]Cl){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[5a]N[6a])(N[5a]C[5a]){2|H<1>,3|C<3>}	127.0900	0.000	1	127.0900	0.000	1	126.9579	0.848	342	126.2880	3.280	427	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]H)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]Cl)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]H)(N[6a]C[6a]){2|Cl<1>,1|H<1>,1|N<2>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]Cl){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]){1|C<3>,2|H<1>}	126.0950	0.099	2	126.0950	0.010	2	126.9579	0.848	342	126.2880	3.280	427	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]H)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[5a]N[6a])(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]H)(N[6a]C[6a]){1|N<2>,1|N<3>,2|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[5a]N[6a])(N[5a]C[5a]){2|H<1>,3|C<3>}	126.6090	0.000	1	126.6090	0.000	1	126.9579	0.848	342	126.2880	3.280	427	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]H)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]C[3])(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]H)(N[6a]C[6a]){1|C<4>,1|N<2>,2|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]C[3])(N[5a]C[5a]){1|C<3>,2|C<4>,3|H<1>}	125.7060	0.000	1	125.7060	0.000	1	126.9579	0.848	342	126.2880	3.280	427	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]H)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]H)(N[6a]C[6a]){1|N<2>,1|N<3>,2|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,2|H<1>}	126.4614	0.446	20	126.4614	0.199	20	126.9579	0.848	342	126.2880	3.280	427	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]H)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]H)(N[6a]C[6a]){1|N<2>,1|O<2>,2|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]){1|C<3>,2|H<1>}	125.5270	0.000	1	126.3725	1.430	2	126.9579	0.848	342	126.2880	3.280	427	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]H)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]H)(N[6a]C[6a]){1|N<3>,1|O<1>,2|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]){1|C<3>,3|H<1>}	127.2180	0.000	1	126.3725	1.430	2	126.9579	0.848	342	126.2880	3.280	427	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]H)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]S)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]H)(N[6a]C[6a]){1|N<2>,1|S<2>,2|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]S)(N[5a]C[5a]){1|C<3>,2|H<1>}	125.7503	0.116	3	125.7503	0.013	3	126.9579	0.848	342	126.2880	3.280	427	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]H)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]I)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]H)(N[6a]C[6a]){1|Cl<1>,1|H<1>,1|I<1>,1|N<2>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]I){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]){1|C<3>,2|H<1>}	126.0480	0.000	1	126.0480	0.000	1	126.9579	0.848	342	126.2880	3.280	427	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]H)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]H)(N[6a]C[6a]){1|Cl<1>,1|H<1>,1|N<2>,1|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]){1|C<3>,2|H<1>}	126.9030	0.000	1	126.9030	0.000	1	126.9579	0.848	342	126.2880	3.280	427	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]H)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]H)(N[6a]C[6a]){1|H<1>,1|N<2>,2|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,2|H<1>}	126.6910	0.433	8	126.6910	0.188	8	126.9579	0.848	342	126.2880	3.280	427	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]H)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]S)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]H)(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,1|S<2>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]S)(N[5a]C[5a]){1|C<3>,2|H<1>}	126.1930	0.430	2	126.1930	0.185	2	126.9579	0.848	342	126.2880	3.280	427	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]S)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]S)(N[6a]C[6a]){1|Cl<1>,1|N<2>,2|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|N<2>,1|S<4>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]){1|C<3>,1|H<1>,1|S<4>}	126.6610	0.180	2	126.6610	0.032	2	126.9579	0.848	342	126.2880	3.280	427	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[6a]N[5a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[6a]N[5a])(N[6a]C[6a]){1|O<1>,2|C<3>,2|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N){1|N<3>,2|C<3>,2|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]N[5a]){1|N<3>,2|C<3>}	127.8900	0.000	1	127.8900	0.000	1	126.9579	0.848	342	126.2880	3.280	427	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[6a]N[5a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[6a]N[5a])(N[6a]C[6a]){1|N<3>,1|O<1>,1|O<2>,2|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O){1|C<4>,2|C<3>,2|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]N[5a]){1|C<4>,2|C<3>}	126.3115	0.019	2	126.3115	0.000	2	126.9579	0.848	342	126.2880	3.280	427	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]C)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]Cl)(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]C)(N[6a]C[6a]){1|Cl<1>,1|C<3>,1|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]Cl)(N[5a]N[5a]){1|C<3>,1|C<4>,1|H<1>}	128.5880	0.000	1	128.5880	0.000	1	126.9579	0.848	342	126.2880	3.280	427	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]C)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]C)(N[6a]C[6a]){1|O<1>,2|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N){1|C<4>,2|C<3>,2|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]N[5a]){1|C<4>,2|C<3>}	129.4320	0.000	1	129.4320	0.000	1	126.9579	0.848	342	126.2880	3.280	427	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]C)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]C)(N[6a]C[6a]){1|N<3>,1|O<1>,1|O<2>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O){1|C<3>,2|C<4>,2|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]N[5a]){1|C<3>,2|C<4>}	127.6570	0.194	3	127.6570	0.038	3	126.9579	0.848	342	126.2880	3.280	427	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]C[6])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]C[6])(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|O<2>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O){1|C<3>,2|C<4>,2|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]N[5a]){1|C<3>,2|C<4>}	127.5790	0.000	1	127.5790	0.000	1	126.9579	0.848	342	126.2880	3.280	427	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]O)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]O)(N[6a]C[6a]){1|C<3>,2|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<2>,2|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,1|H<1>,1|O<2>}	127.9300	1.048	4	127.9300	1.098	4	126.9579	0.848	342	126.2880	3.280	427	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a](C[5a,6a]C[6a]S[5a])(N[5a]C[5a]C[5])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|C<4>,1|H<1>,1|O<2>,2|N<3>,2|O<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(S[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	125.8620	0.000	1	125.8620	0.000	1	125.8620	0.000	1	126.2880	3.280	427	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	N[5a,6]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6]C[5a,6]C[5,6])(C[5a,6a]C[6a]N[5a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a,6])	C[5a,6a](N[5a,6]C[5a,6]C[5,6])(C[5a,6a]C[6a]N[5a])(N[6a]C[6a]){1|Cl<1>,1|N<2>,1|O<2>,2|C<4>,2|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]N[6a]H){1|C<4>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a,6]){1|C<3>,2|C<4>}	126.6250	0.000	1	126.6250	0.000	1	126.6250	0.000	1	126.2880	3.280	427	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	N[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]N[6a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[5a,6a]C)(N[6a]C[6a])	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]N[6a])(N[6a]C[6a]){1|C<2>,2|H<1>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[5a,6a]C)(N[6a]C[6a]){1|H<1>,3|C<3>}	125.3010	0.000	1	125.3010	0.000	1	125.3010	0.000	1	126.2880	3.280	427	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[6a]C[6a,6a])	N[6a](C[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a,6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[6a]C[6a,6a]){1|C<4>,1|H<1>,5|C<3>}	N[6a](C[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a,6a]2){1|N<3>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C){6|C<3>}	124.4350	0.164	2	124.4350	0.027	2	124.4350	0.027	2	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[5a]C[6a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[5a]C[6a])(N[6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H){1|H<1>,1|N<3>,2|C<3>}	125.3440	0.000	1	125.3440	0.000	1	125.7207	0.448	6	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[5a]C[6a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a,6a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[5a]C[6a])(N[6a]C[6a]){3|H<1>,4|C<3>}	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a,6a]C[5])(C[6a]C[6a]H){1|H<1>,1|N<3>,2|C<3>,2|S<2>}	126.3955	0.166	2	126.3955	0.028	2	125.7207	0.448	6	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[5a]C[6a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[5a]C[6a])(N[6a]C[6a]){1|C<4>,3|C<3>,3|H<1>}	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,1|N<3>,2|C<3>}	125.0210	0.016	2	125.0210	0.000	2	125.7207	0.448	6	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Br)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[6a]C[6a]){1|Br<1>,2|H<1>,4|C<3>}	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Br){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a,6a]C)(C[6a]C[6a]H){1|H<1>,3|C<3>}	126.1470	0.000	1	126.1470	0.000	1	125.7207	0.448	6	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[6a]C[6a]){1|C<4>,1|H<1>,5|C<3>}	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2){1|N<3>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]2){6|C<3>}	123.9640	0.000	1	123.9640	0.000	1	123.5205	0.909	16	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[6a]C[6a]){2|H<1>,5|C<3>}	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2){1|H<1>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]2){1|H<1>,5|C<3>}	123.9465	0.251	2	123.9465	0.063	2	123.5205	0.909	16	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[6a]C[6a]){3|H<1>,4|C<3>}	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2){1|N<3>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){4|C<3>}	122.6680	0.048	2	122.6680	0.002	2	123.5205	0.909	16	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[6a]C[6a]){1|H<1>,1|S<4>,5|C<3>}	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2){2|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]2){1|N<3>,5|C<3>}	124.5790	0.000	1	124.5790	0.000	1	123.5205	0.909	16	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[6a]C[6a]){1|N<2>,3|C<3>,3|H<1>}	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,4|C<3>}	120.8650	0.000	1	120.8650	0.000	1	123.5205	0.909	16	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[6a]C[6a]){3|C<3>,4|H<1>}	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,3|C<3>}	124.2900	0.000	1	124.2900	0.000	1	123.5205	0.909	16	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[6a]C[6a]){1|S<4>,2|H<1>,4|C<3>}	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]2){1|C<4>,5|C<3>}	124.2300	0.000	1	124.2300	0.000	1	123.5205	0.909	16	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]N)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[6a]C[6a]){1|H<1>,1|N<3>,1|S<4>,4|C<3>}	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]N){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]2){6|C<3>}	124.4120	0.000	1	124.4120	0.000	1	123.5205	0.909	16	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[6a]C[6a]){1|N<2>,1|O<2>,2|C<3>,3|H<1>}	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,3|C<3>}	124.1015	0.025	2	123.4598	0.294	6	123.5205	0.909	16	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[6a]C[6a]){1|O<2>,3|C<3>,3|H<1>}	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,3|C<3>}	123.1390	0.279	4	123.4598	0.294	6	123.5205	0.909	16	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[6a]C[6a,6a]){1|H<1>,1|O<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2){1|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]O){6|C<3>}	126.3970	0.018	2	126.3970	0.000	2	126.3970	0.000	2	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a,6a]N[6])(N[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[6a]C[6a,6a]){1|N<3>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2){1|H<1>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a,6a]N[6])(N[5a]C[5a,6a]H){2|C<4>,4|C<3>}	124.1250	0.000	1	124.1250	0.000	1	124.1250	0.000	1	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:C[5a]-3:N[6a]-3:	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]C[5a]S[5a])(N[6a]C[6a,6a])	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]C[5a]S[5a])(N[6a]C[6a,6a]C)	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]C[5a]S[5a])(N[6a]C[6a,6a]){1|C<4>,1|S<2>,4|C<3>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a]){1|N<2>,1|O<1>,1|S<2>,2|C<3>,2|N<3>}	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]C[5a]S[5a])(N[6a]C[6a,6a]C){1|N<2>,1|S<2>,3|C<3>}	123.8900	0.000	1	123.8900	0.000	1	123.8900	0.000	1	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]S[5a]C[5])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]S[5a]H)(C[6a]N[6a]N)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]S[5a]C[5])(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H){1|C<4>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]S[5a]H)(C[6a]N[6a]N){1|C<3>,1|C<4>}	121.9410	0.000	1	121.9410	0.000	1	122.4883	0.228	3	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]S[5a]C[5])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]N)	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]S[5a]H)(C[6a]N[6a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]S[5a]C[5])(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]N){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]S[5a]H)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|H<1>}	122.7620	0.083	2	122.7620	0.007	2	122.4883	0.228	3	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Br)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Br)(N[6a]C[6a]){1|Cl<1>,1|C<4>,1|N<2>,2|H<1>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H){1|Br<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]C){1|Br<1>,1|C<3>,1|H<1>}	123.5355	0.122	2	123.5355	0.015	2	122.9074	0.704	12	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]N[6])	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]N[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,2|H<1>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]N[6]){1|N<3>,2|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]N[6a]H)(N[5a]C[5a]H){1|C<4>,2|C<3>}	122.0215	0.056	2	122.0215	0.003	2	122.9074	0.704	12	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,3|H<1>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,3|H<1>}	122.1800	0.000	1	122.1800	0.000	1	122.9074	0.704	12	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a]){2|C<3>,3|H<1>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,2|H<1>}	123.1265	0.107	2	123.1265	0.011	2	122.9074	0.704	12	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]C)	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]N[6a]C)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a]){1|N<2>,2|C<4>,2|H<1>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]C){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]N[6a]C)(N[5a]C[5a]H){1|C<3>,2|H<1>}	121.6840	0.000	1	121.6840	0.000	1	122.9074	0.704	12	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a]){1|N<3>,1|O<1>,3|H<1>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]H){1|C<3>,3|H<1>}	123.1360	0.000	1	123.1360	0.000	1	122.9074	0.704	12	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(N[6a]C[6a]){1|C<3>,1|N<2>,3|H<1>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H){1|N<3>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a]H){1|H<1>,1|S<2>,3|C<3>}	122.4000	0.000	1	122.4000	0.000	1	122.9074	0.704	12	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N[6a])	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]N[6a]O)(N[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<3>,1|O<1>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N[6a]){1|C<4>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]N[6a]O)(N[5a]N[5a]C){1|C<3>,1|C<4>,1|H<1>}	124.0610	0.511	2	124.0610	0.261	2	122.9074	0.704	12	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]O)	C[5a,6a](C[5a,6a]C[5a]N[6a])(N[5a]C[5a]C[6a])(C[6a]N[6a]O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(N[6a]C[6a]){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]O){1|C<2>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]N[6a])(N[5a]C[5a]C[6a])(C[6a]N[6a]O){1|C<2>,1|H<1>,4|C<3>}	124.7385	0.641	4	124.7385	0.411	4	124.5561	1.136	8	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]N[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]N[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	123.1640	0.260	2	123.1640	0.068	2	124.5561	1.136	8	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]C[5a]N[6a])(N[5a]C[6a]N[5a])(C[6a]N[6a]N)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(N[6a]C[6a]){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H){1|C<2>,1|C<3>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[5a]N[6a])(N[5a]C[6a]N[5a])(C[6a]N[6a]N){1|C<2>,3|C<3>}	125.0680	0.000	1	125.0680	0.000	1	124.5561	1.136	8	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]N)	C[5a,6a](C[5a,6a]C[5a]N[6a])(N[5a]C[6a]N[5a])(C[6a]N[6a]O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(N[6a]C[6a]){1|C<3>,1|O<1>,2|N<3>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]N){1|C<2>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]N[6a])(N[5a]C[6a]N[5a])(C[6a]N[6a]O){1|C<2>,4|C<3>}	126.0990	0.000	1	126.0990	0.000	1	124.5561	1.136	8	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C[6a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]N)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]N[6a])(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C[6a])(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]N){1|N<3>,4|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]N[6a])(N[5a]C[5a]H){2|H<1>,4|C<3>}	122.3110	0.000	1	122.3110	0.000	1	123.5440	3.041	2	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]N[5a]H)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]N[6a])(N[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]N[5a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,2|C<3>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]N[6a])(N[5a]N[5a]C){2|H<1>,3|C<3>}	124.7770	0.000	1	124.7770	0.000	1	123.5440	3.041	2	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]N[5a,6a]C[5a])(C[5a]N[5a]C)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[5a,6a]C[5a])	C[5a,6a](N[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a]N[6a])(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]N[5a,6a]C[5a])(C[5a]N[5a]C)(N[6a]C[6a]){1|Ni<4>,4|C<3>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[5a,6a]C[5a]){1|S<2>,2|N<3>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a]N[6a])(C[5a]N[5a]C){1|Ni<4>,1|H<1>,4|C<3>}	125.7290	0.120	2	125.7290	0.014	2	125.7290	0.014	2	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a]N[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a]N[6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	124.1415	0.085	4	124.1415	0.007	4	124.1415	0.007	4	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5,6a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(N[6a]C[5,6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[5])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(N[6a]C[5,6a]){1|C<4>,1|H<1>,5|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[5]){1|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5,6a]C[6a])(C[5a]C[5a]C){1|H<1>,5|C<3>}	127.0710	0.000	1	127.0710	0.000	1	127.8094	0.591	7	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5,6a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[5,6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]2)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5,6a]C[6a])(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[5,6a]){1|C<4>,5|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]2){1|N<2>,6|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5,6a]C[6a])(C[5a]N[5a]C){5|C<3>}	128.0710	0.764	5	128.0710	0.584	5	127.8094	0.591	7	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5,6a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[5,6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[5])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5,6a]C[6a])(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[5,6a]){2|C<4>,4|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[5]){1|C<4>,1|N<2>,1|S<4>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5,6a]C[6a])(C[5a]N[5a]C){1|S<4>,4|C<3>}	127.2400	0.000	1	127.2400	0.000	1	127.8094	0.591	7	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(N[6a]C[5a,6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(N[6a]C[5a,6a]){1|N<3>,4|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])2{2|C<4>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[5a,6a]C){1|C<4>,1|H<1>,4|C<3>}	127.1605	0.170	2	127.1605	0.029	2	127.3036	0.051	5	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(N[6a]C[5a,6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[5a,6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(N[6a]C[5a,6a]){1|N<3>,4|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])2{1|H<1>,1|N<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[5a,6a]C[6a]){2|H<1>,6|C<3>}	127.3990	0.229	3	127.3990	0.053	3	127.3036	0.051	5	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[5a,6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5a,6a]H)(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[5a,6a]){1|C<4>,1|H<1>,4|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2){1|N<2>,1|O<2>,5|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5a,6a]H)(C[5a]N[5a]C){1|O<2>,2|C<3>}	126.9730	0.000	1	126.9730	0.000	1	127.5542	0.154	11	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[5a,6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])2	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5a,6a]C)(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[5a,6a]){1|C<4>,1|N<3>,4|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])2{2|N<2>,5|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5a,6a]C)(C[5a]N[5a]C){3|C<3>}	127.4075	0.839	2	127.4075	0.704	2	127.5542	0.154	11	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[5a,6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])2	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[5a,6a]){1|C<4>,1|N<3>,4|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])2{1|H<1>,1|N<2>,5|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5a,6a]C[6a])(C[5a]N[5a]C){5|C<3>}	127.6537	0.252	3	127.6850	0.056	7	127.5542	0.154	11	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[5a,6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])2	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[5a,6a]){1|C<4>,1|N<3>,4|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])2{2|N<2>,5|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|N<2>,4|C<3>}	127.5975	0.274	2	127.6850	0.056	7	127.5542	0.154	11	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[5a,6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])2	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[5a,6a]){1|C<4>,1|N<3>,4|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])2{2|N<2>,5|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5a,6a]C[6a])(C[5a]N[5a]C){5|C<3>}	127.8195	0.281	2	127.6850	0.056	7	127.5542	0.154	11	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[5a,6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])2	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5a,6a]H)(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[5a,6a]){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])2{2|N<2>,5|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5a,6a]H)(C[5a]N[5a]C){3|C<3>}	127.5130	0.000	1	127.5130	0.000	1	127.5542	0.154	11	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(N[5a]C[6a]N[5a])(N[6a]C[6,6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[5a,6,6a]C[6])	C[5a,6a](C[5a,6a]C[5a,6,6a]C[5a])(C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(N[5a]C[6a]N[5a])(N[6a]C[6,6a]){2|C<4>,4|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[5a,6,6a]C[6]){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6,6a]C[5a])(C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C){1|N<3>,4|C<3>}	130.0170	0.000	1	130.0170	0.000	1	130.0170	0.000	1	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(N[6a]C[6,6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]C[6])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(N[6a]C[6,6a]){1|C<4>,1|H<1>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]C[6]){1|C<4>,1|S<4>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6,6a]H){1|H<1>,1|S<4>,4|C<3>}	126.9640	0.000	1	126.9640	0.000	1	126.9640	0.000	1	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6,6a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6,6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]2)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6,6a]C[6a])(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6,6a]){1|C<4>,5|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]2){1|C<4>,1|N<2>,5|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6,6a]C[6a])(C[5a]N[5a]C){1|C<4>,4|C<3>}	127.2068	0.482	6	127.0137	0.298	9	126.7700	0.200	29	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6,6a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6,6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]2)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6,6a]C[6a])(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6,6a]){1|C<4>,5|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]2){1|N<2>,6|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6,6a]C[6a])(C[5a]N[5a]C){5|C<3>}	126.6273	0.525	3	127.0137	0.298	9	126.7700	0.200	29	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6,6a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6,6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]2)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6,6a]H)(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6,6a]){1|C<4>,1|H<1>,4|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]2){1|C<4>,1|N<2>,5|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6,6a]H)(C[5a]N[5a]C){1|C<4>,2|C<3>}	126.5800	0.000	1	126.5800	0.000	1	126.7700	0.200	29	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6,6a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6,6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]C[6])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6,6a]C[5a])(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6,6a]){1|C<4>,5|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]C[6]){1|N<2>,2|C<4>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6,6a]C[5a])(C[5a]N[5a]C){1|C<4>,1|S<2>,3|C<3>}	127.0800	0.000	2	127.0800	0.000	2	126.7700	0.200	29	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6,6a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6,6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]C[6])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6,6a]C[6a])(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6,6a]){2|C<4>,4|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]C[6]){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6,6a]C[6a])(C[5a]N[5a]C){5|C<3>}	126.6366	0.257	8	126.6366	0.066	8	126.7700	0.200	29	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6,6a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6,6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]C[6])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6,6a]H)(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6,6a]){1|H<1>,2|C<4>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]C[6]){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6,6a]H)(C[5a]N[5a]C){3|C<3>}	126.5441	0.498	7	126.5441	0.248	7	126.7700	0.200	29	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6,6a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6,6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]O[6])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6,6a]C)(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6,6a]){1|O<2>,2|C<4>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]O[6]){1|C<4>,1|N<2>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6,6a]C)(C[5a]N[5a]C){1|C<4>,2|C<3>}	126.7825	0.060	2	126.7825	0.004	2	126.7700	0.200	29	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(N[6a]C[6a,6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a,6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(N[6a]C[6a,6a]){5|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a]){1|C<4>,1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a,6a]C[6a]){1|C<4>,1|H<1>,6|C<3>}	126.7980	0.000	1	126.7980	0.000	1	127.1893	0.247	8	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(N[6a]C[6a,6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(N[6a]C[6a,6a]){1|H<1>,4|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a]){1|C<4>,1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a,6a]H){1|C<4>,1|H<1>,4|C<3>}	127.1750	0.000	1	127.1750	0.000	1	127.1893	0.247	8	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(N[6a]C[6a,6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(N[6a]C[6a,6a]){1|H<1>,6|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a]){1|F<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a,6a]H){1|H<1>,5|C<3>}	127.1040	0.000	1	127.1040	0.000	1	127.1893	0.247	8	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(N[6a]C[6a,6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a,6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(N[6a]C[6a,6a]){5|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a]){2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a,6a]C[6a]){2|H<1>,6|C<3>}	127.1552	0.625	4	127.1552	0.391	4	127.1893	0.247	8	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(N[6a]C[6a,6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(N[6a]C[6a,6a]){1|H<1>,4|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,1|S<4>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a,6a]H){1|O<2>,1|S<4>,4|C<3>}	127.8160	0.000	1	127.8160	0.000	1	127.1893	0.247	8	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a,6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a,6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a,6a]){1|H<1>,5|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a]){1|C<4>,1|N<2>,5|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a,6a]H){5|C<3>}	127.7760	0.000	1	127.7760	0.000	1	127.7760	0.000	1	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a,6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]2)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a,6a]C[6a])(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a,6a]){1|C<4>,5|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]2){1|N<2>,6|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a,6a]C[6a])(C[5a]N[5a]C){5|C<3>}	127.4350	0.000	1	127.4350	0.000	1	127.1211	0.159	10	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a,6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]2)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a,6a]H)(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a,6a]){1|C<4>,1|H<1>,4|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]2){1|N<2>,6|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a,6a]H)(C[5a]N[5a]C){3|C<3>}	127.3010	0.000	1	127.3010	0.000	1	127.1211	0.159	10	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a,6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]2)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a,6a]H)(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a,6a]){2|H<1>,4|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]2){1|N<2>,6|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a,6a]H)(C[5a]N[5a]H){3|C<3>}	127.0830	0.062	2	127.0830	0.004	2	127.1211	0.159	10	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a,6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a,6a]){6|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,1|N<2>,5|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a,6a]C[6a])(C[5a]C[6a]N[5a]){7|C<3>}	127.8500	0.000	1	127.8500	0.000	1	127.1211	0.159	10	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a,6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a,6a]C[6a])(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a,6a]){1|C<4>,5|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,1|N<2>,5|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a,6a]C[6a])(C[5a]N[5a]C){5|C<3>}	127.3580	0.000	1	127.3580	0.000	1	127.1211	0.159	10	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a,6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a,6a]H)(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a,6a]){2|H<1>,4|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,1|N<2>,5|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a,6a]H)(C[5a]N[5a]H){3|C<3>}	126.7752	0.276	4	126.7752	0.076	4	127.1211	0.159	10	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5,6a]C[5a])(N[5a]C[6a]N[5a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5,6a]H)	C[5a,6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[5,6a]C[5a])(N[5a]C[6a]N[5a])(N[6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5,6a]H){1|N<2>,4|C<3>}	C[5a,6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C){1|N<3>,1|O<1>,3|C<3>}	128.1510	0.000	1	128.1510	0.000	1	128.3990	0.123	2	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5,6a]C[5a])(N[5a]C[6a]N[5a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5,6a]O)	C[5a,6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[5,6a]C[5a])(N[5a]C[6a]N[5a])(N[6a]C[6a]){1|O<2>,2|C<4>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5,6a]O){1|N<2>,4|C<3>}	C[5a,6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C){1|H<1>,5|C<3>}	128.6470	0.000	1	128.6470	0.000	1	128.3990	0.123	2	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]H)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	C[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]H)(N[6a]C[6a]){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl){1|C<4>,1|H<1>,3|C<3>}	124.5600	0.000	1	124.5600	0.000	1	124.5600	0.000	1	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(N[6a]C[6a]){1|C<3>,2|C<4>,2|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	126.6690	0.000	1	126.5167	0.073	6	126.5167	0.073	6	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(N[6a]C[6a]){1|C<3>,2|C<4>,2|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	126.5410	0.304	4	126.5167	0.073	6	126.5167	0.073	6	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(N[6a]C[6a]){1|C<4>,2|C<3>,2|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	126.2670	0.000	1	126.5167	0.073	6	126.5167	0.073	6	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]N[5a]N[6a])	C[5a,6a](C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C)(N[6a]C[6a]){1|C<4>,1|N<3>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]C){1|C<4>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]N[5a]N[6a]){1|H<1>,2|C<4>,5|C<3>}	129.0320	0.000	1	129.0320	0.000	1	129.0320	0.000	1	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(N[5a]C[5a]C[5])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[5a,6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]N[5a])(C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,1|O<2>,4|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[5a,6a]H){1|C<4>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]N[5a])(C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H){1|C<4>,1|H<1>,3|C<3>}	127.5290	0.102	2	127.5290	0.010	2	128.1860	0.188	9	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(N[5a]C[5a]C[6a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[5a,6a]C)	C[5a,6a](C[5a,6a]N[5a,6a]N[5a])(C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(N[5a]C[5a]C[6a])(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[5a,6a]C){1|N<2>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]N[5a])(C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6a]){1|H<1>,2|N<2>,4|C<3>}	128.5920	0.195	2	128.5920	0.038	2	128.1860	0.188	9	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(N[5a]C[5a]C[6a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[5a,6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]N[5a])(C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(N[5a]C[5a]C[6a])(N[6a]C[6a]){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[5a,6a]H){1|N<2>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]N[5a])(C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6a]){1|H<1>,2|N<2>,4|C<3>}	128.2297	0.061	3	128.2297	0.004	3	128.1860	0.188	9	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(N[5a]C[5a]H)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(N[5a]C[5a]H)(N[6a]C[6a]){1|C<3>,1|N<3>,3|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	128.6690	0.000	1	128.6690	0.000	1	128.1860	0.188	9	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(N[5a]N[5a]C)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[5a,6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]N[5a])(C[5a,6a]N[5a]N[6a])(C[5a]N[5a]S)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(N[5a]N[5a]C)(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,1|S<2>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[5a,6a]H){1|C<4>,2|C<3>,2|N<2>}	C[5a,6a](C[5a,6a]N[5a,6a]N[5a])(C[5a,6a]N[5a]N[6a])(C[5a]N[5a]S){1|C<4>,1|N<2>,2|C<3>}	128.0740	0.000	1	128.0740	0.000	1	128.1860	0.188	9	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[5a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(N[6a]C[6a]){5|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2){1|C<4>,1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[5a]C[6a]){1|C<4>,1|S<2>,2|H<1>,4|C<3>}	127.6230	0.000	1	127.6230	0.000	1	126.2752	1.005	17	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(N[6a]C[6a]){5|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2){1|C<4>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]2){1|C<4>,1|H<1>,6|C<3>}	126.3580	0.000	1	126.3580	0.000	1	126.2752	1.005	17	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(N[6a]C[6a]){1|C<4>,4|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C){1|C<4>,2|H<1>,3|C<3>}	126.7710	0.000	1	126.7710	0.000	1	126.2752	1.005	17	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(N[6a]C[6a]){1|C<4>,1|H<1>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C){1|C<4>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	126.2770	0.000	1	126.2770	0.000	1	126.2752	1.005	17	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(N[6a]C[6a]){1|N<2>,2|H<1>,4|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	123.4900	0.000	1	123.4900	0.000	1	126.2752	1.005	17	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(N[6a]C[6a]){5|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]2){3|H<1>,5|C<3>}	126.5200	0.324	2	126.5200	0.105	2	126.2752	1.005	17	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(N[6a]C[6a]){1|H<1>,4|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	125.1360	0.000	1	125.1360	0.000	1	126.2752	1.005	17	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(N[6a]C[6a]){1|C<4>,4|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]2){3|H<1>,5|C<3>}	126.7660	0.000	1	126.7660	0.000	1	126.2752	1.005	17	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	125.7380	0.000	1	125.9190	0.066	2	126.2752	1.005	17	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	126.1000	0.000	1	125.9190	0.066	2	126.2752	1.005	17	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(N[6a]C[6a]){1|H<1>,4|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C){3|C<3>,3|H<1>}	127.0330	0.000	1	127.0330	0.000	1	126.2752	1.005	17	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	125.8180	0.000	1	125.8180	0.000	1	126.2752	1.005	17	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(N[6a]C[6a]){1|C<4>,1|N<2>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]C){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N[6a]){2|H<1>,5|C<3>}	125.5670	0.000	1	125.5670	0.000	1	126.2752	1.005	17	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N){2|H<1>,3|C<3>}	126.1460	0.000	1	126.1460	0.000	1	126.2752	1.005	17	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(N[6a]C[6a]){5|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2){1|H<1>,1|S<4>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]2){1|S<4>,2|H<1>,5|C<3>}	127.7950	0.000	1	127.7950	0.000	1	126.2752	1.005	17	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(N[6a]C[6a]){1|Br<1>,1|H<1>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br){1|H<1>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H){1|S<4>,2|H<1>,3|C<3>}	127.0210	0.000	1	127.0210	0.000	1	126.2752	1.005	17	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5,6]N[5a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]N)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5,6]N[5a])(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|C<4>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]N){1|C<3>,1|C<4>}	126.2390	0.598	2	126.2390	0.358	2	126.8189	0.868	237	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]B)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]B)(N[6a]C[6a]){1|C<3>,4|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|B<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|B<4>,1|C<3>,2|H<1>}	125.7502	0.199	4	125.8137	0.187	9	126.8189	0.868	237	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]B)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]B)(N[6a]C[6a]){1|C<3>,4|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|B<5>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|B<5>,1|C<3>,2|H<1>}	125.8644	0.580	5	125.8137	0.187	9	126.8189	0.868	237	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)(N[6a]C[6a]){1|H<1>,4|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2){1|C<4>,6|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,5|C<3>}	126.8950	0.000	1	126.9430	0.005	2	126.8189	0.868	237	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)(N[6a]C[6a]){2|H<1>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2){1|C<4>,6|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	126.9910	0.000	1	126.9430	0.005	2	126.8189	0.868	237	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)(N[6a]C[6a]){1|C<4>,2|C<3>,2|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]C[6a]C){1|C<3>,1|C<4>,2|H<1>}	128.9260	0.000	1	128.9260	0.000	1	126.8189	0.868	237	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)(N[6a]C[6a]){2|H<1>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|C<4>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,5|C<3>}	127.1340	0.000	1	127.1340	0.000	1	126.8189	0.868	237	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)(N[6a]C[6a]){1|C<3>,4|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	126.8250	0.000	1	126.8250	0.000	1	126.8189	0.868	237	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]O[6a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)(N[6a]C[6a]){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O[6a]){1|C<4>,5|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]O[6a]O){1|C<3>,2|C<4>}	126.8180	0.000	1	126.8180	0.000	1	126.8189	0.868	237	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]N[6a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)(N[6a]C[6a]){1|N<2>,1|N<3>,1|O<2>,2|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|N<3>}	125.5770	0.000	1	125.5770	0.000	1	126.8189	0.868	237	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]N[6a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<2>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N){1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|H<1>}	126.5560	0.000	1	126.5560	0.000	1	126.8189	0.868	237	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]N[6a]S)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|S<2>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N){1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]N[6a]S){1|C<3>,1|C<4>,1|H<1>}	127.0650	0.000	1	127.0650	0.000	1	126.8189	0.868	237	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]S)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]N[6a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)(N[6a]C[6a]){1|N<3>,1|O<1>,1|S<2>,2|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]S){2|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]N[6a]O){1|C<3>,1|H<1>,2|C<4>}	127.5617	0.132	3	127.5617	0.017	3	126.8189	0.868	237	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]N)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]N){1|C<3>,1|C<4>,2|H<1>}	126.8370	0.000	1	126.8370	0.000	1	126.8189	0.868	237	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]F)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]N[6a]N)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|C<4>,1|F<1>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]F){1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]N[6a]N){1|C<3>,1|C<4>,1|H<1>}	126.1770	0.000	1	126.1770	0.000	1	126.8189	0.868	237	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]N[6a]N)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|C<2>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]N[6a]N){1|C<3>,1|C<4>,1|H<1>}	126.7610	0.000	1	126.7610	0.000	1	126.8189	0.868	237	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[3])(C[6a]N[6a]N)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|N<2>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[3])(C[6a]N[6a]N){1|C<3>,2|H<1>,3|C<4>}	126.4090	0.000	1	126.4090	0.000	1	126.8189	0.868	237	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]Cl)(C[6a]N[6a]N)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|Cl<1>,1|C<3>,1|C<4>,1|N<2>,1|N<3>,3|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]Cl)(C[6a]N[6a]N){1|C<3>,1|C<4>,1|H<1>}	125.2420	0.000	1	125.2420	0.000	1	126.8189	0.868	237	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]F)(C[6a]N[6a]N)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|C<4>,1|F<1>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]F)(C[6a]N[6a]N){1|C<3>,1|C<4>,1|H<1>}	125.2287	1.083	3	125.2287	1.173	3	126.8189	0.868	237	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]N[6a]N)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,1|O<2>,4|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]N[6a]N){1|C<3>,1|C<4>,1|H<1>}	125.8620	0.000	1	125.8620	0.000	1	126.8189	0.868	237	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]N[6a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]N[6a]O){1|C<3>,1|C<4>,2|H<1>}	127.3630	0.000	1	127.3630	0.000	1	126.8189	0.868	237	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]I)(C[6a]N[6a]N)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|C<4>,1|I<1>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]I)(C[6a]N[6a]N){1|C<3>,1|C<4>,1|H<1>}	126.3487	0.567	3	126.3487	0.322	3	126.8189	0.868	237	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]N[6a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|C<2>,1|C<4>,1|O<1>,1|O<2>,2|H<1>,2|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]N[6a]O){1|C<3>,1|C<4>,2|H<1>}	129.0630	0.000	1	129.0630	0.000	1	126.8189	0.868	237	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]Cl)(C[6a]N[6a]N)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|Cl<1>,1|C<4>,1|N<2>,1|O<2>,2|H<1>,2|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N){1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]Cl)(C[6a]N[6a]N){1|C<3>,1|C<4>,1|H<1>}	125.4990	0.000	1	125.4990	0.000	1	126.8189	0.868	237	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]N[6a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|C<4>,1|O<1>,1|O<2>,2|N<3>,3|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]N[6a]O){1|C<3>,1|C<4>,2|H<1>}	129.1180	0.000	1	129.1180	0.000	1	126.8189	0.868	237	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]Br)(C[6a]N[6a]N)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|Br<1>,1|C<4>,1|O<1>,1|O<2>,2|H<1>,2|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]Br)(C[6a]N[6a]N){1|C<3>,1|C<4>,2|H<1>}	128.7580	0.000	1	128.7580	0.000	1	126.8189	0.868	237	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]N[6a]N)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|C<4>,1|O<1>,1|O<2>,2|N<3>,3|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]N[6a]N){1|C<3>,1|C<4>,2|H<1>}	127.5200	0.000	1	127.5200	0.000	1	126.8189	0.868	237	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(N[6a]C[6a]){3|H<1>,4|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	127.3110	0.000	1	127.3110	0.000	1	126.8189	0.868	237	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(N[6a]C[6a]){1|N<2>,2|C<3>,4|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|C<3>,2|H<1>}	126.1643	0.884	7	126.5710	0.790	11	126.8189	0.868	237	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(N[6a]C[6a]){3|C<3>,4|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|C<3>,2|H<1>}	127.3345	0.046	2	126.5710	0.790	11	126.8189	0.868	237	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(N[6a]C[6a]){3|H<1>,4|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|H<1>,3|C<3>}	127.2310	0.133	2	126.5710	0.790	11	126.8189	0.868	237	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]C)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]N[6a]N)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(N[6a]C[6a]){1|N<2>,1|N<3>,2|C<3>,3|C<4>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]C){4|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]N[6a]N){1|C<4>,2|C<3>}	127.2270	0.000	1	127.2270	0.000	1	126.8189	0.868	237	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6a])(C[6a]N[6a]N[5])	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(N[6a]C[6a]){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){4|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6a])(C[6a]N[6a]N[5]){1|H<1>,2|C<4>,4|C<3>}	127.2340	0.010	2	127.2340	0.000	2	126.8189	0.868	237	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H)(N[6a]C[6a]){1|C<2>,1|C<3>,3|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,3|H<1>}	126.4430	0.000	1	126.5094	0.152	7	126.8189	0.868	237	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,3|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,3|H<1>}	126.3290	0.109	3	126.5094	0.152	7	126.8189	0.868	237	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H)(N[6a]C[6a]){1|C<4>,2|C<3>,2|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	126.3945	0.244	2	126.5094	0.152	7	126.8189	0.868	237	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H)(N[6a]C[6a]){2|C<3>,3|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,3|H<1>}	127.3470	0.000	1	126.5094	0.152	7	126.8189	0.868	237	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H)(N[6a]C[6a]){2|C<3>,3|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	126.5387	0.352	9	126.5387	0.124	9	126.8189	0.868	237	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H)(N[6a]C[6a]){1|O<2>,2|C<3>,2|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]O){3|C<3>,3|H<1>}	124.9040	5.176	2	124.9040	26.791	2	126.8189	0.868	237	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,3|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	126.3610	0.000	1	126.5104	0.334	10	126.8189	0.868	237	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H)(N[6a]C[6a]){1|C<3>,4|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|Br<1>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Br<1>,1|C<3>,2|H<1>}	126.2850	0.000	1	126.5104	0.334	10	126.8189	0.868	237	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H)(N[6a]C[6a]){1|C<3>,4|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,3|H<1>}	126.1210	0.473	3	126.5104	0.334	10	126.8189	0.868	237	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H)(N[6a]C[6a]){2|C<3>,3|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|C<3>,2|H<1>}	126.8190	0.623	5	126.5104	0.334	10	126.8189	0.868	237	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H)(N[6a]C[6a]){1|C<2>,1|C<3>,1|O<2>,2|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]O){1|C<2>,1|C<3>,2|H<1>}	126.8290	0.153	2	126.8290	0.023	2	126.8189	0.868	237	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H)(N[6a]C[6a]){1|C<3>,1|S<2>,3|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,3|H<1>}	126.3820	0.153	2	126.3820	0.023	2	126.8189	0.868	237	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]Cl)(C[6a]N[6a]N)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H)(N[6a]C[6a]){1|Cl<1>,1|N<2>,1|N<3>,2|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]Cl)(C[6a]N[6a]N){1|C<3>,2|H<1>}	126.6570	0.000	1	126.6570	0.000	1	126.8189	0.868	237	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]N[6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H)(N[6a]C[6a]){1|C<4>,1|N<2>,3|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]N[6a]C){1|C<3>,2|H<1>}	125.1890	0.000	1	125.1890	0.000	1	126.8189	0.868	237	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]N[6a]N)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H)(N[6a]C[6a]){1|N<2>,1|N<3>,3|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]N[6a]N){1|C<3>,2|H<1>}	126.2260	0.000	1	126.2260	0.000	1	126.8189	0.868	237	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]S)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6])(C[6a]N[6a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H)(N[6a]C[6a]){1|N<3>,1|O<1>,1|S<2>,2|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]S){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6])(C[6a]N[6a]O){1|C<4>,1|H<1>,4|C<3>}	126.9530	0.000	1	126.9530	0.000	1	126.8189	0.868	237	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]N)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]N)(N[6a]C[6a]){1|C<3>,4|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>}	127.2930	0.010	2	127.2930	0.000	2	126.8189	0.868	237	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]N[6a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]N[6a])(N[6a]C[6a]){3|C<3>,4|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>}	128.0155	0.274	2	128.0155	0.075	2	126.8189	0.868	237	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Pd)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Pd)(N[6a]C[6a]){1|C<3>,4|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|Pd<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Pd<4>,1|C<3>,2|H<1>}	125.0490	0.000	1	125.0490	0.000	1	126.8189	0.868	237	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Pt)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Pt)(N[6a]C[6a]){1|C<3>,4|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|Pt<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Pt<4>,1|C<3>,2|H<1>}	125.1310	0.000	1	125.1310	0.000	1	126.8189	0.868	237	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]S)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]S)(N[6a]C[6a]){1|H<1>,4|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2){1|S<4>,6|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){1|H<1>,1|S<4>,6|C<3>}	128.7680	0.000	1	128.7680	0.000	1	126.8189	0.868	237	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]S)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]S)(N[6a]C[6a]){2|C<3>,3|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|H<1>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,1|S<4>,2|C<3>,2|H<1>}	127.9530	0.000	1	127.9530	0.000	1	126.8189	0.868	237	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]S)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]N)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]S)(N[6a]C[6a]){1|C<3>,1|N<3>,3|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|N<3>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]N){1|C<3>,1|H<1>,1|N<3>,1|S<4>}	128.9185	0.006	2	128.9185	0.000	2	126.8189	0.868	237	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Si)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Si)(N[6a]C[6a]){1|C<3>,4|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|Si<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Si<4>,1|C<3>,2|H<1>}	127.3713	0.308	28	127.3713	0.095	28	126.8189	0.868	237	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a]){1|C<4>,5|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a]C[6a]){1|C<2>,1|N<2>,5|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|C<2>,4|C<3>}	127.3140	0.146	4	127.3140	0.021	4	126.8189	0.868	237	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a]){1|C<4>,5|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2){1|H<1>,2|N<2>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|H<1>,4|C<3>}	127.1740	0.000	1	127.1740	0.000	1	126.8189	0.868	237	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a]){2|C<4>,4|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2){1|N<2>,6|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]C){3|C<3>}	127.0020	0.000	1	127.0020	0.000	1	126.8189	0.868	237	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2){1|Cl<1>,1|N<2>,5|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|Cl<1>,2|C<3>}	126.0960	0.000	1	126.2677	0.079	3	126.8189	0.868	237	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2){1|H<1>,1|N<2>,5|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>}	126.5930	0.000	1	126.2677	0.079	3	126.8189	0.868	237	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2){1|N<2>,6|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){3|C<3>}	126.1140	0.000	1	126.2677	0.079	3	126.8189	0.868	237	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a]){2|C<4>,4|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C){1|N<2>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){5|C<3>}	126.4095	0.135	2	126.4095	0.018	2	126.8189	0.868	237	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a]){3|C<3>,3|C<4>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]C){1|H<1>,2|C<3>}	126.9080	0.000	1	126.6355	0.149	2	126.8189	0.868	237	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a]){3|C<3>,3|C<4>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C){1|N<2>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]C){3|C<3>}	126.3630	0.000	1	126.6355	0.149	2	126.8189	0.868	237	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]C[6a]N)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C){1|C<4>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]C[6a]N){1|C<4>,2|C<3>}	126.4040	0.000	1	126.4040	0.000	1	126.8189	0.868	237	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a]){1|Cl<1>,1|C<4>,4|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl){1|N<2>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){5|C<3>}	126.3271	0.573	7	126.3271	0.329	7	126.8189	0.868	237	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|H<1>,4|C<3>}	127.9080	0.512	2	127.9080	0.262	2	126.8189	0.868	237	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|N<2>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){3|C<3>}	126.8890	0.000	1	126.8890	0.000	1	126.8189	0.868	237	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a]){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]O){1|C<4>,2|C<3>}	127.2490	0.000	1	127.2490	0.000	1	126.8189	0.868	237	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a]){1|C<4>,1|N<3>,4|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N){1|C<2>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|C<2>,4|C<3>}	128.0240	0.556	2	128.0240	0.309	2	126.8189	0.868	237	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N){1|C<2>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<2>,2|C<3>}	127.0250	0.000	1	127.0250	0.000	1	126.8189	0.868	237	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a]){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|C<4>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]O){1|C<4>,2|C<3>}	126.3185	0.142	2	126.3185	0.020	2	126.8189	0.868	237	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[6a]N[5a])(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N){1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[6a]N[5a])(C[6a]N[6a]H){4|C<3>}	126.2730	0.000	1	126.2730	0.000	1	126.8189	0.868	237	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,1|O<2>,2|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N){1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]O){2|C<3>}	125.2490	0.000	1	125.2490	0.000	1	126.8189	0.868	237	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]S)(C[6a]N[6a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a]){1|O<1>,1|S<2>,2|C<3>,2|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N){1|N<2>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]S)(C[6a]N[6a]O){1|N<3>,2|C<3>}	127.0600	0.000	1	127.0600	0.000	1	126.8189	0.868	237	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]S)(C[6a]N[6a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a]){1|N<3>,1|O<1>,1|O<2>,1|S<2>,2|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O){1|N<2>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]S)(C[6a]N[6a]O){3|C<3>}	126.7290	0.000	1	126.7290	0.000	1	126.8189	0.868	237	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a]){1|H<1>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	126.9910	0.000	1	126.9910	0.000	1	126.8189	0.868	237	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]S)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a]){1|C<4>,1|S<2>,2|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C){1|C<4>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]S){1|C<4>,4|C<3>}	128.4460	0.000	1	128.4460	0.000	1	126.8189	0.868	237	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a]){2|C<3>,2|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	127.8300	0.079	2	127.8300	0.006	2	126.8189	0.868	237	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]O[6a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a]){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O[6a]){1|C<4>,1|N<2>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]O[6a]O){1|C<3>,1|C<4>}	128.1135	0.221	2	128.1135	0.049	2	126.8189	0.868	237	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]S)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a]){1|S<2>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]S){1|C<4>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|C<4>,6|C<3>}	128.0970	0.000	1	128.0970	0.000	1	126.8189	0.868	237	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]N[6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a]){1|H<1>,1|N<2>,2|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|C<4>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]N[6a]){1|C<4>,5|C<3>}	126.2110	0.662	2	126.2110	0.438	2	126.8189	0.868	237	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]N)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a]){1|N<2>,1|N<3>,2|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|C<4>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]N){1|C<3>,1|C<4>}	126.8940	0.652	2	126.8940	0.425	2	126.8189	0.868	237	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a]){1|N<2>,1|O<2>,2|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|C<4>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]O){1|C<3>,1|C<4>}	125.7520	0.000	1	127.0583	1.281	3	126.8189	0.868	237	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a]){1|N<3>,1|O<1>,2|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|H<1>}	127.7115	0.040	2	127.0583	1.281	3	126.8189	0.868	237	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]S)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a]){1|N<2>,1|S<2>,2|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|C<4>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]S){1|C<3>,1|C<4>}	125.6340	0.000	1	125.6340	0.000	1	126.8189	0.868	237	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]S)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a]){1|H<1>,1|N<2>,1|O<2>,1|S<2>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]S){1|C<4>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]O){1|C<3>,1|C<4>}	126.5373	0.471	3	127.2487	0.490	16	126.8189	0.868	237	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]S)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a]){1|H<1>,1|N<2>,1|O<2>,1|S<4>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]S){1|C<4>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]O){1|C<3>,1|C<4>}	126.3265	0.368	2	127.2487	0.490	16	126.8189	0.868	237	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]S)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a]){1|H<1>,1|N<3>,1|O<1>,1|S<2>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]S){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|H<1>}	128.1810	0.102	2	127.2487	0.490	16	126.8189	0.868	237	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]S)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a]){1|H<1>,1|N<3>,1|O<1>,1|S<2>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]S){1|N<2>,2|C<3>,2|C<4>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]O){1|C<3>,2|C<4>}	127.4836	0.404	9	127.2487	0.490	16	126.8189	0.868	237	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]S)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]S)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a]){1|H<1>,1|N<2>,2|S<2>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]S){1|C<4>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]S){1|C<3>,1|C<4>}	126.6105	0.342	11	126.6105	0.117	11	126.8189	0.868	237	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C[5])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]Br)(C[6a]N[6a]N)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C[5])(N[6a]C[6a]){1|Br<1>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|C<4>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]Br)(C[6a]N[6a]N){1|C<3>,1|C<4>}	125.8760	0.000	1	125.8760	0.000	1	126.8189	0.868	237	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C[5])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]N[6a]N)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C[5])(N[6a]C[6a]){1|C<2>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|C<4>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]N[6a]N){1|C<3>,1|C<4>}	126.2640	0.000	1	126.5310	0.143	2	126.8189	0.868	237	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C[5])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]N[6a]N)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C[5])(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|C<4>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]N[6a]N){1|C<3>,1|C<4>}	126.7980	0.000	1	126.5310	0.143	2	126.8189	0.868	237	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C[5])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C[5])(N[6a]C[6a]){1|C<4>,1|N<2>,1|O<2>,4|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|C<4>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]H){1|C<3>,1|C<4>}	125.1520	0.000	1	125.1520	0.000	1	126.8189	0.868	237	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C[5])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]N)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C[5])(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|C<4>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]N){1|C<3>,1|C<4>}	126.5560	0.949	2	126.5560	0.900	2	126.8189	0.868	237	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C[5])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]I)(C[6a]N[6a]N)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C[5])(N[6a]C[6a]){1|C<4>,1|I<1>,1|N<2>,1|N<3>,1|O<2>,2|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|C<4>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]I)(C[6a]N[6a]N){1|C<3>,1|C<4>}	126.0300	0.000	1	126.0300	0.000	1	126.8189	0.868	237	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C[5])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]Br)(C[6a]N[6a]N)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C[5])(N[6a]C[6a]){1|Br<1>,1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N){1|C<4>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]Br)(C[6a]N[6a]N){1|C<3>,1|C<4>}	125.1900	0.000	1	125.1900	0.000	1	126.8189	0.868	237	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C[5])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]Br)(C[6a]N[6a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C[5])(N[6a]C[6a]){1|Br<1>,1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]Br)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|H<1>}	128.3680	0.000	1	128.3680	0.000	1	126.8189	0.868	237	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C[5])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]S)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]N)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C[5])(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,1|O<2>,1|S<2>,2|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]S){1|C<4>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]N){1|C<3>,1|C<4>}	126.0860	0.000	1	126.0860	0.000	1	126.8189	0.868	237	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]H)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]O)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]H)(N[6a]C[6a]){1|H<1>,1|O<1>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2){1|N<3>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]O)(C[6a]C[6a]H){2|C<3>,2|H<1>}	125.8303	0.202	3	125.8303	0.041	3	126.8189	0.868	237	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]H)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]H)(N[6a]C[6a]){2|C<3>,2|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	126.5430	0.000	1	126.5430	0.000	1	126.8189	0.868	237	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]H)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]H)(N[6a]C[6a]){1|H<1>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){2|H<1>,5|C<3>}	127.1630	0.000	1	127.1630	0.000	1	126.8189	0.868	237	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]H)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,2|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|F<1>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|F<1>,1|H<1>,3|C<3>}	127.2103	0.152	3	127.2103	0.023	3	126.8189	0.868	237	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]H)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,2|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|H<1>}	126.2965	0.933	2	126.4783	0.534	3	126.8189	0.868	237	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]H)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,2|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>}	126.8420	0.000	1	126.4783	0.534	3	126.8189	0.868	237	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]H)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C[6])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,2|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|F<1>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C[6])(C[6a]C[6a]2){1|F<1>,2|C<4>,2|H<1>,3|C<3>}	127.9970	0.000	1	127.9970	0.000	1	126.8189	0.868	237	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]H)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]I)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]H)(N[6a]C[6a]){1|C<3>,1|I<1>,2|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]I)(C[6a]C[6a]H){1|C<3>,2|H<1>}	126.5660	0.000	1	126.5660	0.000	1	126.8189	0.868	237	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]H)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]H)(N[6a]C[6a]){1|N<3>,1|O<1>,2|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|H<1>}	127.2110	0.000	1	127.2110	0.000	1	126.8189	0.868	237	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]H)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]S)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]H)(N[6a]C[6a]){1|N<2>,1|S<2>,2|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]S){1|C<3>,1|H<1>}	125.3090	0.000	1	125.3090	0.000	1	126.8189	0.868	237	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]H)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]N)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]H)(N[6a]C[6a]){1|H<1>,1|N<2>,2|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]N){1|C<3>,1|H<1>}	127.2157	0.130	6	127.2157	0.017	6	126.8189	0.868	237	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6,6a]C[5a])(N[5a]C[6a]N[5a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6,6a]C[6,6a]2)(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6,6a]C[5a])(N[5a]C[6a]N[5a])(N[6a]C[6a]){1|C<4>,5|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]C[6a]){1|N<2>,6|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6,6a]C[6,6a]2)(C[5a]N[5a]C){5|C<3>}	127.5710	0.000	1	127.5710	0.000	1	127.1740	0.315	2	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6,6a]C[5a])(N[5a]C[6a]N[5a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6,6a]C[6,6a]C[6])(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6,6a]C[5a])(N[5a]C[6a]N[5a])(N[6a]C[6a]){2|C<4>,4|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]C[6a]){1|C<4>,1|N<2>,5|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6,6a]C[6,6a]C[6])(C[5a]N[5a]C){2|C<3>,2|C<4>,2|H<1>}	126.7770	0.000	1	126.7770	0.000	1	127.1740	0.315	2	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]C)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]C)(N[6a]C[6a]){1|O<2>,4|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]O){1|C<4>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a]){1|C<4>,2|H<1>,5|C<3>}	127.5780	0.000	1	127.5780	0.000	1	127.5780	0.000	1	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a]C[6a]N[5a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]C)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a,6a]C[6a,6a]2)(C[5a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a]C[6a]N[5a])(N[6a]C[6a]){1|C<4>,5|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]C){1|N<2>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a,6a]C[6a,6a]2)(C[5a]C[6a]N[5a]){7|C<3>}	127.9530	0.000	1	127.9530	0.000	1	128.6205	0.891	2	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a]N[5a]C)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]C)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a,6a]C[6a,6a]2)(C[5a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a]N[5a]C)(N[6a]C[6a]){1|C<4>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]C){1|C<4>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a,6a]C[6a,6a]2)(C[5a]C[6a]N[5a]){1|C<4>,6|C<3>}	129.2880	0.000	1	129.2880	0.000	1	128.6205	0.891	2	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]Cl)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)(N[6a]C[6a]){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]Cl){1|C<4>,1|N<3>,3|C<3>}	126.0540	0.000	1	126.0540	0.000	1	126.4799	0.422	21	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)(N[6a]C[6a]){1|B<3>,1|C<3>,1|N<2>,2|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]H){1|B<3>,1|C<4>,3|C<3>}	125.9520	0.000	1	126.0552	0.066	6	126.4799	0.422	21	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)(N[6a]C[6a]){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]H){1|C<4>,1|N<3>,3|C<3>}	126.0433	0.315	4	126.0552	0.066	6	126.4799	0.422	21	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)(N[6a]C[6a]){1|N<2>,2|C<3>,2|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]H){1|C<4>,4|C<3>}	126.2060	0.000	1	126.0552	0.066	6	126.4799	0.422	21	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)(N[6a]C[6a]){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]S){1|C<4>,1|H<1>,3|C<3>}	126.0370	0.000	1	126.0370	0.000	1	126.4799	0.422	21	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]Cl)(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H)(N[6a]C[6a]){1|Cl<1>,1|C<3>,3|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]Cl)(C[5a]C[5a]H){1|C<3>,3|H<1>}	126.6980	0.000	1	126.6980	0.000	1	126.4799	0.422	21	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H)(N[6a]C[6a]){1|Cl<1>,1|N<2>,1|P<4>,2|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(C[5a]C[5a]H){1|C<3>,1|H<1>,1|P<4>}	125.6620	0.000	1	125.6620	0.000	1	126.4799	0.422	21	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]S)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]Cl)(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]S)(N[6a]C[6a]){1|Cl<1>,1|C<3>,3|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|H<1>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]Cl)(C[5a]C[5a]H){1|C<3>,1|S<4>,2|H<1>}	128.3960	0.000	1	128.3960	0.000	1	126.4799	0.422	21	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5a]N[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a]){1|C<3>,1|N<2>,2|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|C<4>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5a]N[6a])(C[5a]N[5a]H){1|C<4>,1|O<2>,2|C<3>}	126.3610	0.000	1	126.3610	0.000	1	126.4799	0.422	21	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]S)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a]){1|Cl<1>,1|H<1>,1|N<2>,1|S<2>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]S){1|C<4>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(C[5a]N[5a]H){1|C<3>,1|C<4>}	126.4360	0.000	1	126.2830	0.047	2	126.4799	0.422	21	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]S)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a]){1|Cl<1>,1|H<1>,1|N<2>,1|S<4>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]S){1|C<4>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(C[5a]N[5a]H){1|C<3>,1|C<4>}	126.1300	0.000	1	126.2830	0.047	2	126.4799	0.422	21	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]S)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N[5])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,1|S<2>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]S){1|C<4>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N[5])(C[5a]N[5a]H){1|C<3>,3|C<4>}	126.8525	0.276	4	126.8525	0.076	4	126.4799	0.422	21	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]H)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5a]C[6a])(C[5a]N[5a]N)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]H)(N[6a]C[6a]){1|C<4>,1|N<3>,2|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5a]C[6a])(C[5a]N[5a]N){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	126.0740	0.000	1	126.0740	0.000	1	126.4799	0.422	21	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]H)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N[5])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]H)(N[6a]C[6a]){1|H<1>,1|N<2>,2|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N[5])(C[5a]N[5a]H){1|C<3>,1|H<1>,2|C<4>}	127.2440	0.064	2	127.2440	0.004	2	126.4799	0.422	21	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Br<1>,1|C<3>,1|C<4>,1|O<1>}	126.1600	0.342	6	126.2214	0.124	7	126.2904	0.570	14	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|O<1>,2|C<3>,2|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Br<1>,1|C<3>,1|C<4>,1|O<1>}	126.5900	0.000	1	126.2214	0.124	7	126.2904	0.570	14	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|C<3>,1|O<1>,3|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|Br<1>,1|C<3>,1|C<4>,1|O<1>}	126.4627	0.153	3	126.4627	0.023	3	126.2904	0.570	14	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|Cl<1>,1|C<4>,1|H<1>,1|N<2>,1|O<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|C<4>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|O<1>}	125.3420	0.000	1	125.3420	0.000	1	126.2904	0.570	14	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<3>,2|O<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O){1|N<3>,2|C<3>,2|C<4>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C){1|C<3>,1|H<1>,2|C<4>}	128.4380	0.000	1	128.4380	0.000	1	126.2904	0.570	14	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]H)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Br<1>,1|C<3>,1|H<1>,1|O<1>}	125.3400	0.000	1	125.6735	0.222	2	126.2904	0.570	14	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]H)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]H)(N[6a]C[6a]){1|O<1>,2|C<3>,2|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Br<1>,1|C<3>,1|H<1>,1|O<1>}	126.0070	0.000	1	125.6735	0.222	2	126.2904	0.570	14	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a]C[5a]H)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]O)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a]C[5a]H)(N[6a]C[6a]){1|C<4>,1|O<2>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]O){1|H<1>,4|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C){1|C<4>,2|H<1>,3|C<3>}	128.1510	0.464	2	128.1510	0.215	2	128.1215	0.852	8	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a]C[6a]N[5a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]C[5a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a]C[6a]N[5a])(N[6a]C[6a]){1|C<4>,5|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]C[5a]){1|N<2>,1|S<2>,5|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C){1|H<1>,4|C<3>}	128.0900	0.000	1	128.0900	0.000	1	128.1215	0.852	8	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a]C[6a]N[5a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]C[6a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a]C[6a]N[5a])(N[6a]C[6a]){1|C<4>,5|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]C[6a]){1|N<2>,6|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C){1|H<1>,4|C<3>}	128.1590	0.000	1	128.1590	0.000	1	128.1215	0.852	8	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a]C[6a]N[5a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a]C[6a]N[5a])(N[6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H){1|N<2>,4|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C){1|H<1>,4|C<3>}	127.1010	0.392	2	127.1010	0.153	2	128.1215	0.852	8	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a]N[5a]C)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]C[6a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a]N[5a]C)(N[6a]C[6a]){1|C<4>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]C[6a]){1|C<4>,1|N<2>,5|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C){1|C<4>,1|N<2>,3|C<3>}	128.2270	0.000	1	129.1095	1.558	2	128.1215	0.852	8	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a]N[5a]C)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]C[6a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a]N[5a]C)(N[6a]C[6a]){1|C<4>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]C[6a]){1|C<4>,2|N<2>,4|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C){1|C<4>,1|N<2>,3|C<3>}	129.9920	0.000	1	129.1095	1.558	2	128.1215	0.852	8	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a]C[6a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a]C[6a])(N[6a]C[6a]){3|H<1>,4|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,3|C<3>}	127.3330	0.000	1	127.3330	0.000	1	127.7535	0.354	2	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762
727	371	727	6:SP2_SP2_SP2	C[5a,6a]	N[6a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[6a]C[6a]){3|C<3>,4|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,3|C<3>}	128.1740	0.000	1	128.1740	0.000	1	127.7535	0.354	2	126.5232	1.963	455	126.1975	3.352	1141	125.8198	3.477	1762