643	643	838	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Ga[5,6]	3:3:3:	3:3:3:	4:3:3:	Ga[5,6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5,5,6]-4:Ga[5,6]-3:C[6a]-3:	C[6a](Ga[5,6]C[5,5,6]Ga[5,6])(C[6a]C[6a]2)2	C[6a](C[6a]Ga[5,6]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	Ga[5,6](C[5,5,6]C[5,5]C[5,6]H)(Ga[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2)	C[6a](Ga[5,6]C[5,5,6]Ga[5,6])(C[6a]C[6a]2)2{2|C<4>,3|H<1>,7|C<3>}	C[6a](C[6a]Ga[5,6]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|Ga<3>,1|H<1>,3|C<4>,4|C<3>}	Ga[5,6](C[5,5,6]C[5,5]C[5,6]H)(Ga[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2){4|H<1>,7|C<3>}	121.1330	3.927	4	121.1330	15.421	4	121.1330	15.421	4	121.1330	15.421	4	121.1330	15.421	4	121.1330	15.421	4
643	643	846	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[4,6]	3:3:3:	3:3:1:	4:3:3:	C[4,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	B[4,6]-4:C[6,6a]-3:C[4]-3:	C[6,6a](C[4,6]B[4,6]C[4])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[4,6])(C[6a]C[6a]H)(H)	C[4,6](B[4,6]C[6a]C[6]P[4])(C[6,6a]C[6,6a]C[6a])(C[4]C[6a]P[4])	C[6,6a](C[4,6]B[4,6]C[4])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Si<4>,1|P<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[4,6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,3|C<3>}	C[4,6](B[4,6]C[6a]C[6]P[4])(C[6,6a]C[6,6a]C[6a])(C[4]C[6a]P[4]){10|C<3>,1|H<1>}	124.3790	0.000	1	124.3790	0.000	1	124.3790	0.000	1	124.3790	0.000	1	124.3790	0.000	1	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:2:3:	3:2:1:	3:2:2:	C[6a]-3:N[6a]-2:C[4]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:O[4]-2:O[4]-2:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(C[4]O[4]2)	C[6a](C[6a]N[6a]C[4])(N[6a]C[6a])(H)	C[4](C[6a]C[6a]N[6a])(O[4]In[4])2	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(C[4]O[4]2){1|In<5>,1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]C[4])(N[6a]C[6a])(H){2|C<3>,2|O<2>}	C[4](C[6a]C[6a]N[6a])(O[4]In[4])2{1|C<3>,1|H<1>,1|N<2>,3|O<2>}	119.7750	0.000	1	119.7750	0.000	1	119.7750	0.000	1	119.7750	0.000	1	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:2:3:	3:3:1:	3:3:3:	C[6a]-3:N[6a]-2:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[4]-3:C[4]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[4]C[4]2)	C[6a](C[6a]N[6a]C[4])(C[6a]C[6a]H)(H)	C[4](C[6a]C[6a]N[6a])(C[4]C[4]C)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[4]C[4]2){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]N[6a]C[4])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[4](C[6a]C[6a]N[6a])(C[4]C[4]C)2{2|H<1>,3|C<3>}	122.3810	0.000	1	122.3810	0.000	1	122.3810	0.000	1	122.3810	0.000	1	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	2:2:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	O[4]-2:O[4]-2:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[4]O[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](O[4]In[4,5,5])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[4]O[4]2){1|In<7>,1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|O<2>}	C[4](O[4]In[4,5,5])2(C[6a]C[6a]2){1|N<3>,2|C<3>,2|H<1>,2|O<2>,2|O<3>}	119.8067	0.558	6	119.8067	0.312	6	119.8067	0.312	6	119.8067	0.312	6	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:O[4]-2:O[4]-2:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[4]O[4]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[4])(H)	C[4](C[6a]C[6a]2)(O[4]Ga[4])2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[4]O[4]2){1|Ga<4>,1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[4])(H){2|H<1>,2|O<2>,3|C<3>}	C[4](C[6a]C[6a]2)(O[4]Ga[4])2{2|C<3>,2|C<4>,2|H<1>}	119.5560	0.000	1	119.5560	0.000	1	119.5560	0.000	1	119.5235	0.002	2	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O[4]-2:O[4]-2:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[4]O[4]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[4])(H)	C[4](C[6a]C[6a]2)(O[4]Ga[4])2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[4]O[4]2){1|Ga<4>,1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[4])(H){1|H<1>,2|C<3>,2|O<2>}	C[4](C[6a]C[6a]2)(O[4]Ga[4])2{2|C<3>,2|C<4>,2|H<1>}	119.4910	0.000	1	119.4910	0.000	1	119.4910	0.000	1	119.5235	0.002	2	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:3:2:	C[4]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[4]-3:C[6a]-3:O[4]-2:	C[6a](C[4]C[4]O[4])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](C[4]Si[4,5]C[6a])(C[6a]C[6a]2)(O[4]Si[4,5])	C[6a](C[4]C[4]O[4])(C[6a]C[6a]H)2{1|Si<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[4](C[4]Si[4,5]C[6a])(C[6a]C[6a]2)(O[4]Si[4,5]){2|C<4>,2|H<1>,4|C<3>}	120.6195	1.672	2	120.6195	2.797	2	120.6195	2.797	2	120.4209	1.117	8	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:3:2:	C[4]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[4]-3:O[4]-2:	C[6a](C[4]C[4]O[4])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](C[6a]C[6a]2)(C[4]C[4]C)(O[4]C[4])	C[6a](C[4]C[4]O[4])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|O<2>}	C[4](C[6a]C[6a]2)(C[4]C[4]C)(O[4]C[4]){2|C<3>,2|C<4>,2|H<1>}	120.5780	1.805	2	120.4045	1.128	4	120.4045	1.128	4	120.4209	1.117	8	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:3:2:	C[4]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[4]-3:O[4]-2:	C[6a](C[4]C[4]O[4])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](C[6a]C[6a]2)(C[4]C[4]C)(O[4]C[4])	C[6a](C[4]C[4]O[4])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[4](C[6a]C[6a]2)(C[4]C[4]C)(O[4]C[4]){2|C<3>,2|C<4>,2|H<1>}	120.2310	0.088	2	120.4045	1.128	4	120.4045	1.128	4	120.4209	1.117	8	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:3:2:	C[4]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P[4]-3:N[4]-2:	C[6a](C[4]N[4]P[4])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](C[6a]C[6a]2)(P[4]P[4]C)(N[4]P[4])	C[6a](C[4]N[4]P[4])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|P<4>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|P<3>,2|H<1>}	C[4](C[6a]C[6a]2)(P[4]P[4]C)(N[4]P[4]){1|C<4>,1|W<6>,2|C<3>,2|H<1>}	120.2550	1.226	2	120.2550	1.503	2	120.2550	1.503	2	120.4209	1.117	8	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:3:3:	C[4]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[4,6]-3:C[4]-3:C[6a]-3:	C[6a](C[4]C[4,6]C[4])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]C)(H)	C[4](C[4,6]C[4,6]C[6])(C[4]C[4,6]C[6a])(C[6a]C[6a]2)	C[6a](C[4]C[4,6]C[4])(C[6a]C[6a]H)2{2|C<4>,4|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]C)(H){2|H<1>,3|C<3>}	C[4](C[4,6]C[4,6]C[6])(C[4]C[4,6]C[6a])(C[6a]C[6a]2){1|C<4>,2|H<1>,6|C<3>}	120.0381	1.310	8	120.0381	1.717	8	120.0102	1.290	12	120.2234	1.971	562	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:3:3:	C[4]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[4,6]-3:C[4]-3:C[6a]-3:	C[6a](C[4]C[4,6]C[4])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]F)(H)	C[4](C[4,6]C[4,6]C[6])(C[4]C[4,6]C[6a])(C[6a]C[6a]2)	C[6a](C[4]C[4,6]C[4])(C[6a]C[6a]H)2{2|F<1>,4|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]F)(H){2|H<1>,3|C<3>}	C[4](C[4,6]C[4,6]C[6])(C[4]C[4,6]C[6a])(C[6a]C[6a]2){1|C<4>,2|H<1>,6|C<3>}	119.9545	0.846	4	119.9545	0.716	4	120.0102	1.290	12	120.2234	1.971	562	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:3:3:	C[4]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[4]-3:N[4]-3:	C[6a](C[4]C[4]N[4])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](C[6a]C[6a]2)(C[4]C[4]C)(N[4]C[4]O)	C[6a](C[4]C[4]N[4])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[4](C[6a]C[6a]2)(C[4]C[4]C)(N[4]C[4]O){3|C<3>,3|H<1>}	120.7982	1.331	8	120.7506	1.471	10	120.7506	1.471	10	120.2234	1.971	562	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:3:3:	C[4]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[4]-3:N[4]-3:	C[6a](C[4]C[4]N[4])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](C[6a]C[6a]2)(C[4]C[4]C)(N[4]C[4]O)	C[6a](C[4]C[4]N[4])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[4](C[6a]C[6a]2)(C[4]C[4]C)(N[4]C[4]O){3|C<3>,3|H<1>}	120.5600	0.868	2	120.7506	1.471	10	120.7506	1.471	10	120.2234	1.971	562	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:3:3:	C[4]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[4,6]-3:N[4]-3:C[6a]-3:	C[6a](C[4]N[4,6]N[4])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](N[4,6]Ga[4,6]C[6])(N[4]Ga[4,6]Si)(C[6a]C[6a]2)	C[6a](C[4]N[4,6]N[4])(C[6a]C[6a]H)2{1|Ga<5>,1|Si<4>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[4](N[4,6]Ga[4,6]C[6])(N[4]Ga[4,6]Si)(C[6a]C[6a]2){2|Cl<1>,1|C<4>,1|N<4>,2|C<3>,4|H<1>}	120.1995	1.141	2	120.1995	1.301	2	120.1995	1.301	2	120.2234	1.971	562	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:3:3:	C[4]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	Si[4]-3:C[6a]-3:C[4]-3:	C[6a](C[4]Si[4]C[4])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](Si[4]Si[4]Si)(C[6a]C[6a]2)(C[4]Si[4]H)	C[6a](C[4]Si[4]C[4])(C[6a]C[6a]H)2{2|Si<4>,1|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|Si<3>,2|C<3>,2|H<1>}	C[4](Si[4]Si[4]Si)(C[6a]C[6a]2)(C[4]Si[4]H){1|Si<4>,2|H<1>,3|C<3>}	121.1540	0.817	2	121.1540	0.668	2	121.1540	0.668	2	120.2234	1.971	562	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[4]-3:C[4]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[4]C[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](C[4]C[6a]C[4])(C[4]C[4]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[4]C[4]2){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[4](C[4]C[6a]C[4])(C[4]C[4]C[5])(C[6a]C[6a]2){2|H<1>,7|C<3>}	120.8535	1.302	2	120.8535	1.695	2	120.8535	1.695	2	120.2234	1.971	562	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[4]-3:C[6a]-3:C[4]-3:	C[6a](C[6a]C[6a]H)2(C[4]C[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](C[4]C[6a]C[4])(C[6a]C[6a]2)(C[4]C[4]C)	C[6a](C[6a]C[6a]H)2(C[4]C[4]2){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[4](C[4]C[6a]C[4])(C[6a]C[6a]2)(C[4]C[4]C){1|O<1>,2|H<1>,4|C<3>}	120.6155	1.952	2	120.5817	1.005	10	120.6501	2.527	52	120.2234	1.971	562	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[4]-3:C[6a]-3:C[4]-3:	C[6a](C[6a]C[6a]H)2(C[4]C[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](C[4]C[6a]C[4])(C[6a]C[6a]2)(C[4]C[4]C)	C[6a](C[6a]C[6a]H)2(C[4]C[4]2){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[4](C[4]C[6a]C[4])(C[6a]C[6a]2)(C[4]C[4]C){2|H<1>,5|C<3>}	120.5733	0.864	8	120.5817	1.005	10	120.6501	2.527	52	120.2234	1.971	562	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[4]-3:C[6a]-3:C[4]-3:	C[6a](C[6a]C[6a]H)2(C[4]C[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](C[4]C[6a]C[4])(C[6a]C[6a]2)(C[4]C[4]N)	C[6a](C[6a]C[6a]H)2(C[4]C[4]2){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[4](C[4]C[6a]C[4])(C[6a]C[6a]2)(C[4]C[4]N){1|N<2>,2|H<1>,4|C<3>}	120.5825	1.551	4	120.5825	2.405	4	120.6501	2.527	52	120.2234	1.971	562	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[4]-3:C[6a]-3:C[4]-3:	C[6a](C[6a]C[6a]H)2(C[4]C[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](C[4]C[6a]C[4])(C[6a]C[6a]2)(C[4]C[4]O)	C[6a](C[6a]C[6a]H)2(C[4]C[4]2){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[4](C[4]C[6a]C[4])(C[6a]C[6a]2)(C[4]C[4]O){2|C<4>,2|H<1>,4|C<3>}	120.7540	1.875	2	120.8085	3.353	4	120.6501	2.527	52	120.2234	1.971	562	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[4]-3:C[6a]-3:C[4]-3:	C[6a](C[6a]C[6a]H)2(C[4]C[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](C[4]C[6a]C[4])(C[6a]C[6a]2)(C[4]C[4]O)	C[6a](C[6a]C[6a]H)2(C[4]C[4]2){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[4](C[4]C[6a]C[4])(C[6a]C[6a]2)(C[4]C[4]O){2|H<1>,5|C<3>}	120.8630	2.555	2	120.8085	3.353	4	120.6501	2.527	52	120.2234	1.971	562	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[4]-3:C[6a]-3:C[4]-3:	C[6a](C[6a]C[6a]H)2(C[4]C[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](C[4]C[6a]C[4])(C[6a]C[6a]2)(C[4]C[4]P)	C[6a](C[6a]C[6a]H)2(C[4]C[4]2){1|P<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[4](C[4]C[6a]C[4])(C[6a]C[6a]2)(C[4]C[4]P){1|P<3>,2|H<1>,4|C<3>}	121.2725	2.076	4	120.8916	2.706	30	120.6501	2.527	52	120.2234	1.971	562	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[4]-3:C[6a]-3:C[4]-3:	C[6a](C[6a]C[6a]H)2(C[4]C[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](C[4]C[6a]C[4])(C[6a]C[6a]2)(C[4]C[4]P)	C[6a](C[6a]C[6a]H)2(C[4]C[4]2){1|P<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[4](C[4]C[6a]C[4])(C[6a]C[6a]2)(C[4]C[4]P){1|P<3>,2|H<1>,4|C<3>}	120.8330	1.611	26	120.8916	2.706	30	120.6501	2.527	52	120.2234	1.971	562	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[4]-3:C[6a]-3:C[4]-3:	C[6a](C[6a]C[6a]H)2(C[4]C[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](C[4]C[6a]P[4])(C[6a]C[6a]2)(C[4]P[4]O)	C[6a](C[6a]C[6a]H)2(C[4]C[4]2){1|O<1>,1|P<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[4](C[4]C[6a]P[4])(C[6a]C[6a]2)(C[4]P[4]O){1|C<4>,1|W<6>,2|H<1>,4|C<3>}	120.3450	1.366	2	120.3450	1.866	2	120.6501	2.527	52	120.2234	1.971	562	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[4]-3:C[6a]-3:C[4]-3:	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(C[4]C[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](C[4]C[6a]C[4])(C[6a]C[6a]2)(C[4]C[4]C)	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(C[4]C[4]2){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,3|C<3>}	C[4](C[4]C[6a]C[4])(C[6a]C[6a]2)(C[4]C[4]C){1|Si<4>,3|H<1>,4|C<3>}	117.4930	0.436	2	117.4930	0.190	2	120.6501	2.527	52	120.2234	1.971	562	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[4]-3:C[4]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[4]C[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](C[6a]C[6a]2)(C[4]C[4]C)(C[4]C[4]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[4]C[4]2){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,3|C<3>}	C[4](C[6a]C[6a]2)(C[4]C[4]C)(C[4]C[4]O){1|H<1>,1|O<2>,3|C<3>}	122.5390	0.000	1	122.5390	0.000	1	120.8768	1.226	21	120.2234	1.971	562	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[4]-3:C[4]-3:	C[6a](C[6a]C[6a]H)2(C[4]C[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](C[6a]C[6a]2)(C[4]C[4]C)2	C[6a](C[6a]C[6a]H)2(C[4]C[4]2){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,3|C<3>}	C[4](C[6a]C[6a]2)(C[4]C[4]C)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.7115	1.745	4	120.6511	1.564	12	120.8768	1.226	21	120.2234	1.971	562	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[4]-3:C[4]-3:	C[6a](C[6a]C[6a]H)2(C[4]C[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](C[6a]C[6a]2)(C[4]C[4]C)2	C[6a](C[6a]C[6a]H)2(C[4]C[4]2){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[4](C[6a]C[6a]2)(C[4]C[4]C)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.5940	1.266	6	120.6511	1.564	12	120.8768	1.226	21	120.2234	1.971	562	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[4]-3:C[4]-3:	C[6a](C[6a]C[6a]H)2(C[4]C[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](C[6a]C[6a]2)(C[4]C[4]C)2	C[6a](C[6a]C[6a]H)2(C[4]C[4]2){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[4](C[6a]C[6a]2)(C[4]C[4]C)2{2|H<1>,4|C<3>}	120.7015	0.111	2	120.6511	1.564	12	120.8768	1.226	21	120.2234	1.971	562	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[4]-3:C[4]-3:	C[6a](C[6a]C[6a]H)2(C[4]C[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](C[6a]C[6a]2)(C[4]C[4]N)(C[4]C[4]W)	C[6a](C[6a]C[6a]H)2(C[4]C[4]2){1|C<3>,1|C<4>,1|N<3>,1|W<8>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[4](C[6a]C[6a]2)(C[4]C[4]N)(C[4]C[4]W){1|C<4>,2|C<3>,3|H<1>}	120.8840	0.293	2	120.8840	0.086	2	120.8768	1.226	21	120.2234	1.971	562	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[4]-3:C[4]-3:	C[6a](C[6a]C[6a]H)2(C[4]C[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](C[6a]C[6a]2)(C[4]C[4]O)2	C[6a](C[6a]C[6a]H)2(C[4]C[4]2){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[4](C[6a]C[6a]2)(C[4]C[4]O)2{1|P<4>,2|H<1>,3|C<3>}	121.4765	0.729	2	121.2488	0.622	4	120.8768	1.226	21	120.2234	1.971	562	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[4]-3:C[4]-3:	C[6a](C[6a]C[6a]H)2(C[4]C[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](C[6a]C[6a]2)(C[4]C[4]O)2	C[6a](C[6a]C[6a]H)2(C[4]C[4]2){2|C<3>,2|H<1>,2|O<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[4](C[6a]C[6a]2)(C[4]C[4]O)2{1|O<1>,2|C<3>,2|H<1>}	121.0210	1.062	2	121.2488	0.622	4	120.8768	1.226	21	120.2234	1.971	562	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[4]-3:C[4]-3:	C[6a](C[6a]C[6a]H)2(C[4]C[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](C[6a]C[6a]2)(C[4]C[4]Pd)(C[4]C[4]N)	C[6a](C[6a]C[6a]H)2(C[4]C[4]2){1|Pd<4>,1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[4](C[6a]C[6a]2)(C[4]C[4]Pd)(C[4]C[4]N){2|C<3>,4|H<1>}	120.6485	1.153	2	120.6485	1.330	2	120.8768	1.226	21	120.2234	1.971	562	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[4]-3:N[4]-3:	C[6a](C[6a]C[6a]H)2(C[4]N[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](C[6a]C[6a]2)(N[4]B[4]C)2	C[6a](C[6a]C[6a]H)2(C[4]N[4]2){1|B<4>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[4](C[6a]C[6a]2)(N[4]B[4]C)2{1|Cl<1>,1|Fe<8>,2|C<3>,2|H<1>}	120.0090	0.411	4	119.9802	0.300	6	120.1192	1.959	315	120.2234	1.971	562	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[4]-3:N[4]-3:	C[6a](C[6a]C[6a]H)2(C[4]N[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](C[6a]C[6a]2)(N[4]B[4]C)2	C[6a](C[6a]C[6a]H)2(C[4]N[4]2){1|B<4>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[4](C[6a]C[6a]2)(N[4]B[4]C)2{2|H<1>,4|C<3>}	119.9225	0.992	2	119.9802	0.300	6	120.1192	1.959	315	120.2234	1.971	562	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[4]-3:N[4]-3:	C[6a](C[6a]C[6a]H)2(C[4]N[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](C[6a]C[6a]2)(N[4]B[4]Si)2	C[6a](C[6a]C[6a]H)2(C[4]N[4]2){2|Si<4>,1|B<4>,1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[4](C[6a]C[6a]2)(N[4]B[4]Si)2{2|Br<1>,2|C<3>,2|H<1>}	119.4690	0.000	1	119.4690	0.000	1	120.1192	1.959	315	120.2234	1.971	562	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[4]-3:N[4]-3:	C[6a](C[6a]C[6a]H)2(C[4]N[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](C[6a]C[6a]2)(N[4]Ga[4]2)(N[4]Ga[4]C)	C[6a](C[6a]C[6a]H)2(C[4]N[4]2){2|Ga<4>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[4](C[6a]C[6a]2)(N[4]Ga[4]2)(N[4]Ga[4]C){2|C<3>,2|C<4>,2|H<1>,3|N<3>}	120.5735	1.301	4	120.5735	1.694	4	120.1192	1.959	315	120.2234	1.971	562	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[4]-3:N[4]-3:	C[6a](C[6a]C[6a]H)2(C[4]N[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](C[6a]C[6a]2)(N[4]Ge[4]C)2	C[6a](C[6a]C[6a]H)2(C[4]N[4]2){1|Ge<3>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[4](C[6a]C[6a]2)(N[4]Ge[4]C)2{1|C<4>,2|C<3>,2|H<1>}	120.4540	0.028	2	120.1274	0.620	42	120.1192	1.959	315	120.2234	1.971	562	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[4]-3:N[4]-3:	C[6a](C[6a]C[6a]H)2(C[4]N[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](C[6a]C[6a]2)(N[4]Ge[4]C)2	C[6a](C[6a]C[6a]H)2(C[4]N[4]2){1|Ge<3>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[4](C[6a]C[6a]2)(N[4]Ge[4]C)2{1|N<3>,2|C<3>,2|H<1>}	120.3520	1.351	2	120.1274	0.620	42	120.1192	1.959	315	120.2234	1.971	562	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[4]-3:N[4]-3:	C[6a](C[6a]C[6a]H)2(C[4]N[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](C[6a]C[6a]2)(N[4]Ge[4]C)2	C[6a](C[6a]C[6a]H)2(C[4]N[4]2){1|Ge<3>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[4](C[6a]C[6a]2)(N[4]Ge[4]C)2{1|O<2>,2|C<3>,2|H<1>}	120.3512	0.540	4	120.1274	0.620	42	120.1192	1.959	315	120.2234	1.971	562	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[4]-3:N[4]-3:	C[6a](C[6a]C[6a]H)2(C[4]N[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](C[6a]C[6a]2)(N[4]Ge[4]C)2	C[6a](C[6a]C[6a]H)2(C[4]N[4]2){1|Ge<3>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[4](C[6a]C[6a]2)(N[4]Ge[4]C)2{1|Re<8>,2|C<3>,2|H<1>}	120.0685	0.148	2	120.1274	0.620	42	120.1192	1.959	315	120.2234	1.971	562	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[4]-3:N[4]-3:	C[6a](C[6a]C[6a]H)2(C[4]N[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](C[6a]C[6a]2)(N[4]Ge[4]C)2	C[6a](C[6a]C[6a]H)2(C[4]N[4]2){1|Ge<4>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[4](C[6a]C[6a]2)(N[4]Ge[4]C)2{1|Au<2>,1|C<4>,2|C<3>,2|H<1>}	120.5050	1.211	2	120.1274	0.620	42	120.1192	1.959	315	120.2234	1.971	562	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[4]-3:N[4]-3:	C[6a](C[6a]C[6a]H)2(C[4]N[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](C[6a]C[6a]2)(N[4]Ge[4]C)2	C[6a](C[6a]C[6a]H)2(C[4]N[4]2){1|Ge<4>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[4](C[6a]C[6a]2)(N[4]Ge[4]C)2{1|Fe<5>,1|Ge<4>,2|C<3>,2|H<1>}	120.0260	0.537	2	120.1274	0.620	42	120.1192	1.959	315	120.2234	1.971	562	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[4]-3:N[4]-3:	C[6a](C[6a]C[6a]H)2(C[4]N[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](C[6a]C[6a]2)(N[4]Ge[4]C)2	C[6a](C[6a]C[6a]H)2(C[4]N[4]2){1|Ge<4>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[4](C[6a]C[6a]2)(N[4]Ge[4]C)2{1|Fe<5>,1|O<2>,2|C<3>,2|H<1>}	119.8530	0.921	2	120.1274	0.620	42	120.1192	1.959	315	120.2234	1.971	562	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[4]-3:N[4]-3:	C[6a](C[6a]C[6a]H)2(C[4]N[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](C[6a]C[6a]2)(N[4]Ge[4]C)2	C[6a](C[6a]C[6a]H)2(C[4]N[4]2){1|Ge<4>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[4](C[6a]C[6a]2)(N[4]Ge[4]C)2{1|Ge<3>,1|N<3>,2|C<3>,2|H<1>}	119.9230	0.491	2	120.1274	0.620	42	120.1192	1.959	315	120.2234	1.971	562	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[4]-3:N[4]-3:	C[6a](C[6a]C[6a]H)2(C[4]N[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](C[6a]C[6a]2)(N[4]Ge[4]C)2	C[6a](C[6a]C[6a]H)2(C[4]N[4]2){1|Ge<4>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[4](C[6a]C[6a]2)(N[4]Ge[4]C)2{1|Ir<8>,1|C<4>,2|C<3>,2|H<1>}	120.3440	0.272	4	120.1274	0.620	42	120.1192	1.959	315	120.2234	1.971	562	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[4]-3:N[4]-3:	C[6a](C[6a]C[6a]H)2(C[4]N[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](C[6a]C[6a]2)(N[4]Ge[4]C)2	C[6a](C[6a]C[6a]H)2(C[4]N[4]2){1|Ge<4>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[4](C[6a]C[6a]2)(N[4]Ge[4]C)2{1|Ir<8>,2|H<1>,3|C<3>}	120.1695	0.603	2	120.1274	0.620	42	120.1192	1.959	315	120.2234	1.971	562	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[4]-3:N[4]-3:	C[6a](C[6a]C[6a]H)2(C[4]N[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](C[6a]C[6a]2)(N[4]Ge[4]C)2	C[6a](C[6a]C[6a]H)2(C[4]N[4]2){1|Ge<4>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[4](C[6a]C[6a]2)(N[4]Ge[4]C)2{1|Mn<5>,1|C<4>,2|C<3>,2|H<1>}	120.0330	0.677	6	120.1274	0.620	42	120.1192	1.959	315	120.2234	1.971	562	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[4]-3:N[4]-3:	C[6a](C[6a]C[6a]H)2(C[4]N[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](C[6a]C[6a]2)(N[4]Ge[4]C)2	C[6a](C[6a]C[6a]H)2(C[4]N[4]2){1|Ge<4>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[4](C[6a]C[6a]2)(N[4]Ge[4]C)2{1|N<3>,1|O<2>,2|C<3>,2|H<1>}	119.2758	1.285	4	120.1274	0.620	42	120.1192	1.959	315	120.2234	1.971	562	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[4]-3:N[4]-3:	C[6a](C[6a]C[6a]H)2(C[4]N[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](C[6a]C[6a]2)(N[4]Ge[4]C)2	C[6a](C[6a]C[6a]H)2(C[4]N[4]2){1|Ge<4>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[4](C[6a]C[6a]2)(N[4]Ge[4]C)2{1|Ru<4>,1|C<4>,2|C<3>,2|H<1>}	120.6715	1.232	2	120.1274	0.620	42	120.1192	1.959	315	120.2234	1.971	562	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[4]-3:N[4]-3:	C[6a](C[6a]C[6a]H)2(C[4]N[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](C[6a]C[6a]2)(N[4]Ge[4]C)2	C[6a](C[6a]C[6a]H)2(C[4]N[4]2){1|Ge<4>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[4](C[6a]C[6a]2)(N[4]Ge[4]C)2{1|Ru<5>,1|C<4>,2|C<3>,2|H<1>}	120.2030	0.079	2	120.1274	0.620	42	120.1192	1.959	315	120.2234	1.971	562	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[4]-3:N[4]-3:	C[6a](C[6a]C[6a]H)2(C[4]N[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](C[6a]C[6a]2)(N[4]Ge[4]C)2	C[6a](C[6a]C[6a]H)2(C[4]N[4]2){1|Ge<4>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[4](C[6a]C[6a]2)(N[4]Ge[4]C)2{1|Ru<9>,1|C<4>,2|C<3>,2|H<1>}	120.3935	1.121	2	120.1274	0.620	42	120.1192	1.959	315	120.2234	1.971	562	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[4]-3:N[4]-3:	C[6a](C[6a]C[6a]H)2(C[4]N[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](C[6a]C[6a]2)(N[4]Ge[4]C)2	C[6a](C[6a]C[6a]H)2(C[4]N[4]2){1|Ge<5>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[4](C[6a]C[6a]2)(N[4]Ge[4]C)2{1|N<3>,2|C<3>,2|F<1>,2|H<1>}	120.0160	2.068	2	120.1274	0.620	42	120.1192	1.959	315	120.2234	1.971	562	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[4]-3:N[4]-3:	C[6a](C[6a]C[6a]H)2(C[4]N[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](C[6a]C[6a]2)(N[4]Ge[4]Si)2	C[6a](C[6a]C[6a]H)2(C[4]N[4]2){1|Ge<3>,2|Si<4>,1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[4](C[6a]C[6a]2)(N[4]Ge[4]Si)2{1|Ge<4>,2|C<3>,2|H<1>}	120.6470	1.042	2	120.4000	0.552	8	120.1192	1.959	315	120.2234	1.971	562	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[4]-3:N[4]-3:	C[6a](C[6a]C[6a]H)2(C[4]N[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](C[6a]C[6a]2)(N[4]Ge[4]Si)2	C[6a](C[6a]C[6a]H)2(C[4]N[4]2){1|Ge<3>,2|Si<4>,1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[4](C[6a]C[6a]2)(N[4]Ge[4]Si)2{1|Si<4>,2|C<3>,2|H<1>}	120.4635	0.680	2	120.4000	0.552	8	120.1192	1.959	315	120.2234	1.971	562	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[4]-3:N[4]-3:	C[6a](C[6a]C[6a]H)2(C[4]N[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](C[6a]C[6a]2)(N[4]Ge[4]Si)2	C[6a](C[6a]C[6a]H)2(C[4]N[4]2){1|Ge<3>,2|Si<4>,1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[4](C[6a]C[6a]2)(N[4]Ge[4]Si)2{1|Sn<4>,2|C<3>,2|H<1>}	120.6960	1.071	2	120.4000	0.552	8	120.1192	1.959	315	120.2234	1.971	562	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[4]-3:N[4]-3:	C[6a](C[6a]C[6a]H)2(C[4]N[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](C[6a]C[6a]2)(N[4]Ge[4]Si)2	C[6a](C[6a]C[6a]H)2(C[4]N[4]2){1|Ge<4>,2|Si<4>,1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[4](C[6a]C[6a]2)(N[4]Ge[4]Si)2{1|Rh<6>,1|O<2>,2|C<3>,2|H<1>}	119.7935	0.356	2	120.4000	0.552	8	120.1192	1.959	315	120.2234	1.971	562	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[4]-3:N[4]-3:	C[6a](C[6a]C[6a]H)2(C[4]N[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](C[6a]C[6a]2)(N[4]Si[4]C)2	C[6a](C[6a]C[6a]H)2(C[4]N[4]2){1|Si<3>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[4](C[6a]C[6a]2)(N[4]Si[4]C)2{1|C<4>,2|C<3>,2|H<1>}	120.4200	2.400	6	120.1077	2.282	254	120.1192	1.959	315	120.2234	1.971	562	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[4]-3:N[4]-3:	C[6a](C[6a]C[6a]H)2(C[4]N[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](C[6a]C[6a]2)(N[4]Si[4]C)2	C[6a](C[6a]C[6a]H)2(C[4]N[4]2){1|Si<3>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[4](C[6a]C[6a]2)(N[4]Si[4]C)2{1|C<5>,2|C<3>,2|H<1>}	120.4791	2.141	7	120.1077	2.282	254	120.1192	1.959	315	120.2234	1.971	562	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[4]-3:N[4]-3:	C[6a](C[6a]C[6a]H)2(C[4]N[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](C[6a]C[6a]2)(N[4]Si[4]C)2	C[6a](C[6a]C[6a]H)2(C[4]N[4]2){1|Si<3>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[4](C[6a]C[6a]2)(N[4]Si[4]C)2{1|N<2>,2|C<3>,2|H<1>}	120.3135	1.988	2	120.1077	2.282	254	120.1192	1.959	315	120.2234	1.971	562	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[4]-3:N[4]-3:	C[6a](C[6a]C[6a]H)2(C[4]N[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](C[6a]C[6a]2)(N[4]Si[4]C)2	C[6a](C[6a]C[6a]H)2(C[4]N[4]2){1|Si<3>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[4](C[6a]C[6a]2)(N[4]Si[4]C)2{1|N<3>,2|C<3>,2|H<1>}	120.3461	1.855	12	120.1077	2.282	254	120.1192	1.959	315	120.2234	1.971	562	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[4]-3:N[4]-3:	C[6a](C[6a]C[6a]H)2(C[4]N[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](C[6a]C[6a]2)(N[4]Si[4]C)2	C[6a](C[6a]C[6a]H)2(C[4]N[4]2){1|Si<3>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[4](C[6a]C[6a]2)(N[4]Si[4]C)2{1|O<2>,2|C<3>,2|H<1>}	120.4260	1.272	4	120.1077	2.282	254	120.1192	1.959	315	120.2234	1.971	562	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[4]-3:N[4]-3:	C[6a](C[6a]C[6a]H)2(C[4]N[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](C[6a]C[6a]2)(N[4]Si[4]C)2	C[6a](C[6a]C[6a]H)2(C[4]N[4]2){1|Si<3>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[4](C[6a]C[6a]2)(N[4]Si[4]C)2{1|P<3>,2|C<3>,2|H<1>}	120.2237	1.159	4	120.1077	2.282	254	120.1192	1.959	315	120.2234	1.971	562	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[4]-3:N[4]-3:	C[6a](C[6a]C[6a]H)2(C[4]N[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](C[6a]C[6a]2)(N[4]Si[4]C)2	C[6a](C[6a]C[6a]H)2(C[4]N[4]2){1|Si<3>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[4](C[6a]C[6a]2)(N[4]Si[4]C)2{2|H<1>,3|C<3>}	120.2747	0.893	10	120.1077	2.282	254	120.1192	1.959	315	120.2234	1.971	562	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[4]-3:N[4]-3:	C[6a](C[6a]C[6a]H)2(C[4]N[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](C[6a]C[6a]2)(N[4]Si[4]C)2	C[6a](C[6a]C[6a]H)2(C[4]N[4]2){1|Si<4>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[4](C[6a]C[6a]2)(N[4]Si[4]C)2{1|Ag<2>,1|N<3>,2|C<3>,2|H<1>}	120.2985	0.802	4	120.1077	2.282	254	120.1192	1.959	315	120.2234	1.971	562	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[4]-3:N[4]-3:	C[6a](C[6a]C[6a]H)2(C[4]N[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](C[6a]C[6a]2)(N[4]Si[4]C)2	C[6a](C[6a]C[6a]H)2(C[4]N[4]2){1|Si<4>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[4](C[6a]C[6a]2)(N[4]Si[4]C)2{1|As<3>,1|N<2>,2|C<3>,2|H<1>}	119.9895	1.884	2	120.1077	2.282	254	120.1192	1.959	315	120.2234	1.971	562	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[4]-3:N[4]-3:	C[6a](C[6a]C[6a]H)2(C[4]N[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](C[6a]C[6a]2)(N[4]Si[4]C)2	C[6a](C[6a]C[6a]H)2(C[4]N[4]2){1|Si<4>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[4](C[6a]C[6a]2)(N[4]Si[4]C)2{1|B<4>,1|C<4>,2|C<3>,2|H<1>}	120.1050	1.312	4	120.1077	2.282	254	120.1192	1.959	315	120.2234	1.971	562	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[4]-3:N[4]-3:	C[6a](C[6a]C[6a]H)2(C[4]N[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](C[6a]C[6a]2)(N[4]Si[4]C)2	C[6a](C[6a]C[6a]H)2(C[4]N[4]2){1|Si<4>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[4](C[6a]C[6a]2)(N[4]Si[4]C)2{1|B<4>,2|C<3>,3|H<1>}	119.6995	1.493	2	120.1077	2.282	254	120.1192	1.959	315	120.2234	1.971	562	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[4]-3:N[4]-3:	C[6a](C[6a]C[6a]H)2(C[4]N[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](C[6a]C[6a]2)(N[4]Si[4]C)2	C[6a](C[6a]C[6a]H)2(C[4]N[4]2){1|Si<4>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[4](C[6a]C[6a]2)(N[4]Si[4]C)2{1|C<4>,1|S<1>,2|C<3>,2|H<1>}	120.1250	2.937	2	120.1077	2.282	254	120.1192	1.959	315	120.2234	1.971	562	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[4]-3:N[4]-3:	C[6a](C[6a]C[6a]H)2(C[4]N[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](C[6a]C[6a]2)(N[4]Si[4]C)2	C[6a](C[6a]C[6a]H)2(C[4]N[4]2){1|Si<4>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[4](C[6a]C[6a]2)(N[4]Si[4]C)2{1|C<4>,2|C<3>,3|H<1>}	120.1105	1.850	4	120.1077	2.282	254	120.1192	1.959	315	120.2234	1.971	562	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[4]-3:N[4]-3:	C[6a](C[6a]C[6a]H)2(C[4]N[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](C[6a]C[6a]2)(N[4]Si[4]C)2	C[6a](C[6a]C[6a]H)2(C[4]N[4]2){1|Si<4>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[4](C[6a]C[6a]2)(N[4]Si[4]C)2{1|C<5>,1|O<1>,2|C<3>,2|H<1>}	120.1692	4.579	4	120.1077	2.282	254	120.1192	1.959	315	120.2234	1.971	562	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[4]-3:N[4]-3:	C[6a](C[6a]C[6a]H)2(C[4]N[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](C[6a]C[6a]2)(N[4]Si[4]C)2	C[6a](C[6a]C[6a]H)2(C[4]N[4]2){1|Si<4>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[4](C[6a]C[6a]2)(N[4]Si[4]C)2{1|Ca<11>,1|O<2>,2|C<3>,2|H<1>}	119.7345	2.555	2	120.1077	2.282	254	120.1192	1.959	315	120.2234	1.971	562	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[4]-3:N[4]-3:	C[6a](C[6a]C[6a]H)2(C[4]N[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](C[6a]C[6a]2)(N[4]Si[4]C)2	C[6a](C[6a]C[6a]H)2(C[4]N[4]2){1|Si<4>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[4](C[6a]C[6a]2)(N[4]Si[4]C)2{1|Cl<1>,1|Co<5>,2|C<3>,2|H<1>}	120.1208	2.658	4	120.1077	2.282	254	120.1192	1.959	315	120.2234	1.971	562	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[4]-3:N[4]-3:	C[6a](C[6a]C[6a]H)2(C[4]N[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](C[6a]C[6a]2)(N[4]Si[4]C)2	C[6a](C[6a]C[6a]H)2(C[4]N[4]2){1|Si<4>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[4](C[6a]C[6a]2)(N[4]Si[4]C)2{1|Cl<1>,1|Fe<4>,2|C<3>,2|H<1>}	119.5775	1.835	8	120.1077	2.282	254	120.1192	1.959	315	120.2234	1.971	562	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[4]-3:N[4]-3:	C[6a](C[6a]C[6a]H)2(C[4]N[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](C[6a]C[6a]2)(N[4]Si[4]C)2	C[6a](C[6a]C[6a]H)2(C[4]N[4]2){1|Si<4>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[4](C[6a]C[6a]2)(N[4]Si[4]C)2{1|Cl<1>,1|Fe<5>,2|C<3>,2|H<1>}	120.0825	2.992	2	120.1077	2.282	254	120.1192	1.959	315	120.2234	1.971	562	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[4]-3:N[4]-3:	C[6a](C[6a]C[6a]H)2(C[4]N[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](C[6a]C[6a]2)(N[4]Si[4]C)2	C[6a](C[6a]C[6a]H)2(C[4]N[4]2){1|Si<4>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[4](C[6a]C[6a]2)(N[4]Si[4]C)2{1|Cl<1>,1|Mn<6>,2|C<3>,2|H<1>}	119.9550	0.508	4	120.1077	2.282	254	120.1192	1.959	315	120.2234	1.971	562	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[4]-3:N[4]-3:	C[6a](C[6a]C[6a]H)2(C[4]N[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](C[6a]C[6a]2)(N[4]Si[4]C)2	C[6a](C[6a]C[6a]H)2(C[4]N[4]2){1|Si<4>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[4](C[6a]C[6a]2)(N[4]Si[4]C)2{1|Cl<1>,1|Mo<6>,2|C<3>,2|H<1>}	120.1815	0.015	2	120.1077	2.282	254	120.1192	1.959	315	120.2234	1.971	562	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[4]-3:N[4]-3:	C[6a](C[6a]C[6a]H)2(C[4]N[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](C[6a]C[6a]2)(N[4]Si[4]C)2	C[6a](C[6a]C[6a]H)2(C[4]N[4]2){1|Si<4>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[4](C[6a]C[6a]2)(N[4]Si[4]C)2{1|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	119.7542	0.878	6	120.1077	2.282	254	120.1192	1.959	315	120.2234	1.971	562	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[4]-3:N[4]-3:	C[6a](C[6a]C[6a]H)2(C[4]N[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](C[6a]C[6a]2)(N[4]Si[4]C)2	C[6a](C[6a]C[6a]H)2(C[4]N[4]2){1|Si<4>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[4](C[6a]C[6a]2)(N[4]Si[4]C)2{1|Cl<1>,1|Ni<4>,2|C<3>,2|H<1>}	120.1490	0.468	2	120.1077	2.282	254	120.1192	1.959	315	120.2234	1.971	562	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[4]-3:N[4]-3:	C[6a](C[6a]C[6a]H)2(C[4]N[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](C[6a]C[6a]2)(N[4]Si[4]C)2	C[6a](C[6a]C[6a]H)2(C[4]N[4]2){1|Si<4>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[4](C[6a]C[6a]2)(N[4]Si[4]C)2{1|Co<4>,1|N<3>,2|C<3>,2|H<1>}	120.2400	0.662	2	120.1077	2.282	254	120.1192	1.959	315	120.2234	1.971	562	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[4]-3:N[4]-3:	C[6a](C[6a]C[6a]H)2(C[4]N[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](C[6a]C[6a]2)(N[4]Si[4]C)2	C[6a](C[6a]C[6a]H)2(C[4]N[4]2){1|Si<4>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[4](C[6a]C[6a]2)(N[4]Si[4]C)2{1|Cr<6>,1|F<1>,2|C<3>,2|H<1>}	119.8795	1.398	2	120.1077	2.282	254	120.1192	1.959	315	120.2234	1.971	562	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[4]-3:N[4]-3:	C[6a](C[6a]C[6a]H)2(C[4]N[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](C[6a]C[6a]2)(N[4]Si[4]C)2	C[6a](C[6a]C[6a]H)2(C[4]N[4]2){1|Si<4>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[4](C[6a]C[6a]2)(N[4]Si[4]C)2{1|Cu<2>,1|N<3>,2|C<3>,2|H<1>}	120.4430	0.396	2	120.1077	2.282	254	120.1192	1.959	315	120.2234	1.971	562	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[4]-3:N[4]-3:	C[6a](C[6a]C[6a]H)2(C[4]N[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](C[6a]C[6a]2)(N[4]Si[4]C)2	C[6a](C[6a]C[6a]H)2(C[4]N[4]2){1|Si<4>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[4](C[6a]C[6a]2)(N[4]Si[4]C)2{1|Cu<3>,1|N<3>,2|C<3>,2|H<1>}	120.5184	0.824	12	120.1077	2.282	254	120.1192	1.959	315	120.2234	1.971	562	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[4]-3:N[4]-3:	C[6a](C[6a]C[6a]H)2(C[4]N[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](C[6a]C[6a]2)(N[4]Si[4]C)2	C[6a](C[6a]C[6a]H)2(C[4]N[4]2){1|Si<4>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[4](C[6a]C[6a]2)(N[4]Si[4]C)2{1|Cu<3>,1|O<2>,2|C<3>,2|H<1>}	120.2650	1.157	2	120.1077	2.282	254	120.1192	1.959	315	120.2234	1.971	562	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[4]-3:N[4]-3:	C[6a](C[6a]C[6a]H)2(C[4]N[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](C[6a]C[6a]2)(N[4]Si[4]C)2	C[6a](C[6a]C[6a]H)2(C[4]N[4]2){1|Si<4>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[4](C[6a]C[6a]2)(N[4]Si[4]C)2{1|Cu<7>,1|N<3>,2|C<3>,2|H<1>}	120.2862	0.476	4	120.1077	2.282	254	120.1192	1.959	315	120.2234	1.971	562	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[4]-3:N[4]-3:	C[6a](C[6a]C[6a]H)2(C[4]N[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](C[6a]C[6a]2)(N[4]Si[4]C)2	C[6a](C[6a]C[6a]H)2(C[4]N[4]2){1|Si<4>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[4](C[6a]C[6a]2)(N[4]Si[4]C)2{1|F<1>,1|W<6>,2|C<3>,2|H<1>}	119.9505	1.662	2	120.1077	2.282	254	120.1192	1.959	315	120.2234	1.971	562	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[4]-3:N[4]-3:	C[6a](C[6a]C[6a]H)2(C[4]N[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](C[6a]C[6a]2)(N[4]Si[4]C)2	C[6a](C[6a]C[6a]H)2(C[4]N[4]2){1|Si<4>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[4](C[6a]C[6a]2)(N[4]Si[4]C)2{1|Fe<5>,1|C<4>,2|C<3>,2|H<1>}	120.9205	2.362	2	120.1077	2.282	254	120.1192	1.959	315	120.2234	1.971	562	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[4]-3:N[4]-3:	C[6a](C[6a]C[6a]H)2(C[4]N[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](C[6a]C[6a]2)(N[4]Si[4]C)2	C[6a](C[6a]C[6a]H)2(C[4]N[4]2){1|Si<4>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[4](C[6a]C[6a]2)(N[4]Si[4]C)2{1|Fe<5>,1|O<2>,2|C<3>,2|H<1>}	120.1105	0.140	4	120.1077	2.282	254	120.1192	1.959	315	120.2234	1.971	562	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[4]-3:N[4]-3:	C[6a](C[6a]C[6a]H)2(C[4]N[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](C[6a]C[6a]2)(N[4]Si[4]C)2	C[6a](C[6a]C[6a]H)2(C[4]N[4]2){1|Si<4>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[4](C[6a]C[6a]2)(N[4]Si[4]C)2{1|Fe<5>,1|P<3>,2|C<3>,2|H<1>}	119.9385	0.991	2	120.1077	2.282	254	120.1192	1.959	315	120.2234	1.971	562	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[4]-3:N[4]-3:	C[6a](C[6a]C[6a]H)2(C[4]N[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](C[6a]C[6a]2)(N[4]Si[4]C)2	C[6a](C[6a]C[6a]H)2(C[4]N[4]2){1|Si<4>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[4](C[6a]C[6a]2)(N[4]Si[4]C)2{1|Ge<2>,2|H<1>,3|C<3>}	120.0435	1.559	4	120.1077	2.282	254	120.1192	1.959	315	120.2234	1.971	562	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[4]-3:N[4]-3:	C[6a](C[6a]C[6a]H)2(C[4]N[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](C[6a]C[6a]2)(N[4]Si[4]C)2	C[6a](C[6a]C[6a]H)2(C[4]N[4]2){1|Si<4>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[4](C[6a]C[6a]2)(N[4]Si[4]C)2{1|Ge<3>,1|N<3>,2|C<3>,2|H<1>}	120.0935	2.234	2	120.1077	2.282	254	120.1192	1.959	315	120.2234	1.971	562	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[4]-3:N[4]-3:	C[6a](C[6a]C[6a]H)2(C[4]N[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](C[6a]C[6a]2)(N[4]Si[4]C)2	C[6a](C[6a]C[6a]H)2(C[4]N[4]2){1|Si<4>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[4](C[6a]C[6a]2)(N[4]Si[4]C)2{1|Ge<3>,2|H<1>,3|C<3>}	120.0120	1.063	10	120.1077	2.282	254	120.1192	1.959	315	120.2234	1.971	562	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[4]-3:N[4]-3:	C[6a](C[6a]C[6a]H)2(C[4]N[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](C[6a]C[6a]2)(N[4]Si[4]C)2	C[6a](C[6a]C[6a]H)2(C[4]N[4]2){1|Si<4>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[4](C[6a]C[6a]2)(N[4]Si[4]C)2{1|Ge<4>,2|H<1>,3|C<3>}	119.5855	3.357	4	120.1077	2.282	254	120.1192	1.959	315	120.2234	1.971	562	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[4]-3:N[4]-3:	C[6a](C[6a]C[6a]H)2(C[4]N[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](C[6a]C[6a]2)(N[4]Si[4]C)2	C[6a](C[6a]C[6a]H)2(C[4]N[4]2){1|Si<4>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[4](C[6a]C[6a]2)(N[4]Si[4]C)2{1|Ir<6>,1|C<4>,2|C<3>,2|H<1>}	120.6155	0.482	2	120.1077	2.282	254	120.1192	1.959	315	120.2234	1.971	562	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[4]-3:N[4]-3:	C[6a](C[6a]C[6a]H)2(C[4]N[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](C[6a]C[6a]2)(N[4]Si[4]C)2	C[6a](C[6a]C[6a]H)2(C[4]N[4]2){1|Si<4>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[4](C[6a]C[6a]2)(N[4]Si[4]C)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	119.9040	1.308	6	120.1077	2.282	254	120.1192	1.959	315	120.2234	1.971	562	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[4]-3:N[4]-3:	C[6a](C[6a]C[6a]H)2(C[4]N[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](C[6a]C[6a]2)(N[4]Si[4]C)2	C[6a](C[6a]C[6a]H)2(C[4]N[4]2){1|Si<4>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[4](C[6a]C[6a]2)(N[4]Si[4]C)2{1|N<2>,1|P<3>,2|C<3>,2|H<1>}	119.9385	0.514	4	120.1077	2.282	254	120.1192	1.959	315	120.2234	1.971	562	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[4]-3:N[4]-3:	C[6a](C[6a]C[6a]H)2(C[4]N[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](C[6a]C[6a]2)(N[4]Si[4]C)2	C[6a](C[6a]C[6a]H)2(C[4]N[4]2){1|Si<4>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[4](C[6a]C[6a]2)(N[4]Si[4]C)2{1|N<3>,1|O<2>,2|C<3>,2|H<1>}	119.7163	0.962	4	120.1077	2.282	254	120.1192	1.959	315	120.2234	1.971	562	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[4]-3:N[4]-3:	C[6a](C[6a]C[6a]H)2(C[4]N[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](C[6a]C[6a]2)(N[4]Si[4]C)2	C[6a](C[6a]C[6a]H)2(C[4]N[4]2){1|Si<4>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[4](C[6a]C[6a]2)(N[4]Si[4]C)2{1|N<3>,1|S<2>,2|C<3>,2|H<1>}	119.9185	0.879	2	120.1077	2.282	254	120.1192	1.959	315	120.2234	1.971	562	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[4]-3:N[4]-3:	C[6a](C[6a]C[6a]H)2(C[4]N[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](C[6a]C[6a]2)(N[4]Si[4]C)2	C[6a](C[6a]C[6a]H)2(C[4]N[4]2){1|Si<4>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[4](C[6a]C[6a]2)(N[4]Si[4]C)2{1|N<3>,1|W<6>,2|C<3>,2|H<1>}	120.1320	0.013	2	120.1077	2.282	254	120.1192	1.959	315	120.2234	1.971	562	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[4]-3:N[4]-3:	C[6a](C[6a]C[6a]H)2(C[4]N[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](C[6a]C[6a]2)(N[4]Si[4]C)2	C[6a](C[6a]C[6a]H)2(C[4]N[4]2){1|Si<4>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[4](C[6a]C[6a]2)(N[4]Si[4]C)2{1|Ni<4>,1|C<6>,2|C<3>,2|H<1>}	119.8865	2.196	4	120.1077	2.282	254	120.1192	1.959	315	120.2234	1.971	562	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[4]-3:N[4]-3:	C[6a](C[6a]C[6a]H)2(C[4]N[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](C[6a]C[6a]2)(N[4]Si[4]C)2	C[6a](C[6a]C[6a]H)2(C[4]N[4]2){1|Si<4>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[4](C[6a]C[6a]2)(N[4]Si[4]C)2{1|Ni<4>,2|H<1>,3|C<3>}	120.2415	1.041	4	120.1077	2.282	254	120.1192	1.959	315	120.2234	1.971	562	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[4]-3:N[4]-3:	C[6a](C[6a]C[6a]H)2(C[4]N[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](C[6a]C[6a]2)(N[4]Si[4]C)2	C[6a](C[6a]C[6a]H)2(C[4]N[4]2){1|Si<4>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[4](C[6a]C[6a]2)(N[4]Si[4]C)2{1|Ni<6>,1|P<3>,2|C<3>,2|H<1>}	120.3380	1.872	4	120.1077	2.282	254	120.1192	1.959	315	120.2234	1.971	562	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[4]-3:N[4]-3:	C[6a](C[6a]C[6a]H)2(C[4]N[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](C[6a]C[6a]2)(N[4]Si[4]C)2	C[6a](C[6a]C[6a]H)2(C[4]N[4]2){1|Si<4>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[4](C[6a]C[6a]2)(N[4]Si[4]C)2{1|Pd<3>,1|N<3>,2|C<3>,2|H<1>}	120.1400	0.434	2	120.1077	2.282	254	120.1192	1.959	315	120.2234	1.971	562	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[4]-3:N[4]-3:	C[6a](C[6a]C[6a]H)2(C[4]N[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](C[6a]C[6a]2)(N[4]Si[4]C)2	C[6a](C[6a]C[6a]H)2(C[4]N[4]2){1|Si<4>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[4](C[6a]C[6a]2)(N[4]Si[4]C)2{1|Pd<4>,1|N<3>,2|C<3>,2|H<1>}	119.9230	0.372	2	120.1077	2.282	254	120.1192	1.959	315	120.2234	1.971	562	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[4]-3:N[4]-3:	C[6a](C[6a]C[6a]H)2(C[4]N[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](C[6a]C[6a]2)(N[4]Si[4]C)2	C[6a](C[6a]C[6a]H)2(C[4]N[4]2){1|Si<4>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[4](C[6a]C[6a]2)(N[4]Si[4]C)2{1|S<1>,1|S<2>,2|C<3>,2|H<1>}	119.8390	0.081	2	120.1077	2.282	254	120.1192	1.959	315	120.2234	1.971	562	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[4]-3:N[4]-3:	C[6a](C[6a]C[6a]H)2(C[4]N[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](C[6a]C[6a]2)(N[4]Si[4]C)2	C[6a](C[6a]C[6a]H)2(C[4]N[4]2){1|Si<4>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[4](C[6a]C[6a]2)(N[4]Si[4]C)2{1|Se<1>,1|C<4>,2|C<3>,2|H<1>}	119.9990	3.678	2	120.1077	2.282	254	120.1192	1.959	315	120.2234	1.971	562	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[4]-3:N[4]-3:	C[6a](C[6a]C[6a]H)2(C[4]N[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](C[6a]C[6a]2)(N[4]Si[4]C)2	C[6a](C[6a]C[6a]H)2(C[4]N[4]2){1|Si<4>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[4](C[6a]C[6a]2)(N[4]Si[4]C)2{1|Se<1>,1|N<3>,2|C<3>,2|H<1>}	120.1785	0.888	4	120.1077	2.282	254	120.1192	1.959	315	120.2234	1.971	562	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[4]-3:N[4]-3:	C[6a](C[6a]C[6a]H)2(C[4]N[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](C[6a]C[6a]2)(N[4]Si[4]C)2	C[6a](C[6a]C[6a]H)2(C[4]N[4]2){1|Si<4>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[4](C[6a]C[6a]2)(N[4]Si[4]C)2{1|Se<2>,1|N<3>,2|C<3>,2|H<1>}	119.9265	0.477	4	120.1077	2.282	254	120.1192	1.959	315	120.2234	1.971	562	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[4]-3:N[4]-3:	C[6a](C[6a]C[6a]H)2(C[4]N[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](C[6a]C[6a]2)(N[4]Si[4]C)2	C[6a](C[6a]C[6a]H)2(C[4]N[4]2){1|Si<4>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[4](C[6a]C[6a]2)(N[4]Si[4]C)2{1|Si<3>,2|H<1>,3|C<3>}	119.7638	1.677	11	120.1077	2.282	254	120.1192	1.959	315	120.2234	1.971	562	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[4]-3:N[4]-3:	C[6a](C[6a]C[6a]H)2(C[4]N[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](C[6a]C[6a]2)(N[4]Si[4]C)2	C[6a](C[6a]C[6a]H)2(C[4]N[4]2){1|Si<4>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[4](C[6a]C[6a]2)(N[4]Si[4]C)2{1|Si<4>,1|P<3>,2|C<3>,2|H<1>}	120.1235	2.569	2	120.1077	2.282	254	120.1192	1.959	315	120.2234	1.971	562	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[4]-3:N[4]-3:	C[6a](C[6a]C[6a]H)2(C[4]N[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](C[6a]C[6a]2)(N[4]Si[4]C)2	C[6a](C[6a]C[6a]H)2(C[4]N[4]2){1|Si<4>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[4](C[6a]C[6a]2)(N[4]Si[4]C)2{1|Sm<11>,1|O<2>,2|C<3>,2|H<1>}	120.2568	1.696	4	120.1077	2.282	254	120.1192	1.959	315	120.2234	1.971	562	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[4]-3:N[4]-3:	C[6a](C[6a]C[6a]H)2(C[4]N[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](C[6a]C[6a]2)(N[4]Si[4]C)2	C[6a](C[6a]C[6a]H)2(C[4]N[4]2){1|Si<4>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[4](C[6a]C[6a]2)(N[4]Si[4]C)2{1|Sm<12>,1|O<2>,2|C<3>,2|H<1>}	120.6625	1.515	2	120.1077	2.282	254	120.1192	1.959	315	120.2234	1.971	562	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[4]-3:N[4]-3:	C[6a](C[6a]C[6a]H)2(C[4]N[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](C[6a]C[6a]2)(N[4]Si[4]C)2	C[6a](C[6a]C[6a]H)2(C[4]N[4]2){1|Si<4>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[4](C[6a]C[6a]2)(N[4]Si[4]C)2{1|Te<1>,1|C<4>,2|C<3>,2|H<1>}	120.2110	2.420	4	120.1077	2.282	254	120.1192	1.959	315	120.2234	1.971	562	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[4]-3:N[4]-3:	C[6a](C[6a]C[6a]H)2(C[4]N[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](C[6a]C[6a]2)(N[4]Si[4]C)2	C[6a](C[6a]C[6a]H)2(C[4]N[4]2){1|Si<4>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[4](C[6a]C[6a]2)(N[4]Si[4]C)2{1|Zn<4>,1|C<4>,2|C<3>,2|H<1>}	119.8320	2.872	2	120.1077	2.282	254	120.1192	1.959	315	120.2234	1.971	562	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[4]-3:N[4]-3:	C[6a](C[6a]C[6a]H)2(C[4]N[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](C[6a]C[6a]2)(N[4]Si[4]C)2	C[6a](C[6a]C[6a]H)2(C[4]N[4]2){1|Si<4>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[4](C[6a]C[6a]2)(N[4]Si[4]C)2{1|Zn<4>,1|N<3>,2|C<3>,2|H<1>}	120.0125	0.474	2	120.1077	2.282	254	120.1192	1.959	315	120.2234	1.971	562	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[4]-3:N[4]-3:	C[6a](C[6a]C[6a]H)2(C[4]N[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](C[6a]C[6a]2)(N[4]Si[4]C)2	C[6a](C[6a]C[6a]H)2(C[4]N[4]2){1|Si<4>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[4](C[6a]C[6a]2)(N[4]Si[4]C)2{1|Zn<4>,2|H<1>,3|C<3>}	120.2160	0.332	2	120.1077	2.282	254	120.1192	1.959	315	120.2234	1.971	562	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[4]-3:N[4]-3:	C[6a](C[6a]C[6a]H)2(C[4]N[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](C[6a]C[6a]2)(N[4]Si[4]C)2	C[6a](C[6a]C[6a]H)2(C[4]N[4]2){1|Si<4>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[4](C[6a]C[6a]2)(N[4]Si[4]C)2{2|Pt<3>,2|C<3>,2|H<1>}	120.3940	1.703	2	120.1077	2.282	254	120.1192	1.959	315	120.2234	1.971	562	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[4]-3:N[4]-3:	C[6a](C[6a]C[6a]H)2(C[4]N[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](C[6a]C[6a]2)(N[4]Si[4]C)2	C[6a](C[6a]C[6a]H)2(C[4]N[4]2){1|Si<4>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[4](C[6a]C[6a]2)(N[4]Si[4]C)2{3|C<3>,3|H<1>}	119.9850	1.885	2	120.1077	2.282	254	120.1192	1.959	315	120.2234	1.971	562	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[4]-3:N[4]-3:	C[6a](C[6a]C[6a]H)2(C[4]N[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](C[6a]C[6a]2)(N[4]Si[4]C)2	C[6a](C[6a]C[6a]H)2(C[4]N[4]2){1|Si<5>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[4](C[6a]C[6a]2)(N[4]Si[4]C)2{1|Cl<1>,1|F<1>,1|N<3>,2|C<3>,2|H<1>}	120.0425	1.301	4	120.1077	2.282	254	120.1192	1.959	315	120.2234	1.971	562	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[4]-3:N[4]-3:	C[6a](C[6a]C[6a]H)2(C[4]N[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](C[6a]C[6a]2)(N[4]Si[4]C)2	C[6a](C[6a]C[6a]H)2(C[4]N[4]2){1|Si<5>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[4](C[6a]C[6a]2)(N[4]Si[4]C)2{1|Cl<1>,1|N<3>,2|C<3>,3|H<1>}	120.2465	3.763	2	120.1077	2.282	254	120.1192	1.959	315	120.2234	1.971	562	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[4]-3:N[4]-3:	C[6a](C[6a]C[6a]H)2(C[4]N[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](C[6a]C[6a]2)(N[4]Si[4]C)2	C[6a](C[6a]C[6a]H)2(C[4]N[4]2){1|Si<5>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[4](C[6a]C[6a]2)(N[4]Si[4]C)2{1|F<1>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	120.6655	0.849	2	120.1077	2.282	254	120.1192	1.959	315	120.2234	1.971	562	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[4]-3:N[4]-3:	C[6a](C[6a]C[6a]H)2(C[4]N[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](C[6a]C[6a]2)(N[4]Si[4]C)2	C[6a](C[6a]C[6a]H)2(C[4]N[4]2){1|Si<5>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[4](C[6a]C[6a]2)(N[4]Si[4]C)2{1|F<1>,1|N<3>,2|H<1>,3|C<3>}	119.9425	0.052	2	120.1077	2.282	254	120.1192	1.959	315	120.2234	1.971	562	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[4]-3:N[4]-3:	C[6a](C[6a]C[6a]H)2(C[4]N[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](C[6a]C[6a]2)(N[4]Si[4]C)2	C[6a](C[6a]C[6a]H)2(C[4]N[4]2){1|Si<5>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[4](C[6a]C[6a]2)(N[4]Si[4]C)2{1|O<2>,2|C<3>,2|F<1>,2|H<1>}	118.9905	3.333	2	120.1077	2.282	254	120.1192	1.959	315	120.2234	1.971	562	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[4]-3:N[4]-3:	C[6a](C[6a]C[6a]H)2(C[4]N[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](C[6a]C[6a]2)(N[4]Si[4]C)2	C[6a](C[6a]C[6a]H)2(C[4]N[4]2){1|Si<5>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[4](C[6a]C[6a]2)(N[4]Si[4]C)2{1|Re<8>,1|C<4>,2|C<3>,3|H<1>}	120.3260	1.073	2	120.1077	2.282	254	120.1192	1.959	315	120.2234	1.971	562	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[4]-3:N[4]-3:	C[6a](C[6a]C[6a]H)2(C[4]N[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](C[6a]C[6a]2)(N[4]Si[4]C)2	C[6a](C[6a]C[6a]H)2(C[4]N[4]2){1|Si<5>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[4](C[6a]C[6a]2)(N[4]Si[4]C)2{2|C<3>,2|H<1>,3|F<1>}	119.7630	0.728	2	120.1077	2.282	254	120.1192	1.959	315	120.2234	1.971	562	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[4]-3:N[4]-3:	C[6a](C[6a]C[6a]H)2(C[4]N[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](C[6a]C[6a]2)(N[4]Si[4]C)2	C[6a](C[6a]C[6a]H)2(C[4]N[4]2){1|Si<5>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[4](C[6a]C[6a]2)(N[4]Si[4]C)2{2|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	119.9090	2.692	4	120.1077	2.282	254	120.1192	1.959	315	120.2234	1.971	562	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[4]-3:N[4]-3:	C[6a](C[6a]C[6a]H)2(C[4]N[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](C[6a]C[6a]2)(N[4]Si[4]C)2	C[6a](C[6a]C[6a]H)2(C[4]N[4]2){1|Si<5>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[4](C[6a]C[6a]2)(N[4]Si[4]C)2{3|Cl<1>,2|C<3>,2|H<1>}	120.2480	3.718	2	120.1077	2.282	254	120.1192	1.959	315	120.2234	1.971	562	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	N[4]-3:C[6a]-3:N[4]-3:	C[6a](C[6a]C[6a]H)2(C[4]N[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](N[4]C[3x6]Si[4])(C[6a]C[6a]2)(N[4]Si[4]C)	C[6a](C[6a]C[6a]H)2(C[4]N[4]2){1|Si<5>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[4](N[4]C[3x6]Si[4])(C[6a]C[6a]2)(N[4]Si[4]C){2|Cl<1>,2|C<3>,3|C<4>,3|H<1>}	120.0600	1.438	2	120.0600	2.069	2	120.1581	0.570	12	120.2234	1.971	562	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	N[4]-3:C[6a]-3:N[4]-3:	C[6a](C[6a]C[6a]H)2(C[4]N[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](N[4]C[6a]Ga[4])(C[6a]C[6a]2)(N[4]Ga[4]2)	C[6a](C[6a]C[6a]H)2(C[4]N[4]2){2|Ga<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[4](N[4]C[6a]Ga[4])(C[6a]C[6a]2)(N[4]Ga[4]2){2|C<4>,2|H<1>,3|N<3>,4|C<3>}	120.3005	0.989	4	120.3005	0.979	4	120.1581	0.570	12	120.2234	1.971	562	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	N[4]-3:C[6a]-3:N[4]-3:	C[6a](C[6a]C[6a]H)2(C[4]N[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](N[4]C[6a]Si[4])(C[6a]C[6a]2)(N[4]Si[4]C)	C[6a](C[6a]C[6a]H)2(C[4]N[4]2){1|Si<5>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[4](N[4]C[6a]Si[4])(C[6a]C[6a]2)(N[4]Si[4]C){2|Cl<1>,3|H<1>,4|C<3>}	120.1690	0.516	4	120.0958	0.229	6	120.1581	0.570	12	120.2234	1.971	562	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	N[4]-3:C[6a]-3:N[4]-3:	C[6a](C[6a]C[6a]H)2(C[4]N[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](N[4]C[6a]Si[4])(C[6a]C[6a]2)(N[4]Si[4]C)	C[6a](C[6a]C[6a]H)2(C[4]N[4]2){1|Si<5>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[4](N[4]C[6a]Si[4])(C[6a]C[6a]2)(N[4]Si[4]C){3|Cl<1>,2|H<1>,4|C<3>}	119.9495	0.531	2	120.0958	0.229	6	120.1581	0.570	12	120.2234	1.971	562	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	N[4]-3:N[4]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[4]N[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](N[4]C[6a]Si[4])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[4]N[4]2){1|Si<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[4](N[4]C[6a]Si[4])2(C[6a]C[6a]2){1|N<3>,2|H<1>,6|C<3>}	120.4660	2.632	2	120.3096	2.524	14	120.1629	2.040	134	120.2234	1.971	562	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	N[4]-3:N[4]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[4]N[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](N[4]C[6a]Si[4])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[4]N[4]2){1|Si<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[4](N[4]C[6a]Si[4])2(C[6a]C[6a]2){1|Fe<5>,1|N<3>,2|H<1>,6|C<3>}	120.0230	0.450	2	120.3096	2.524	14	120.1629	2.040	134	120.2234	1.971	562	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	N[4]-3:N[4]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[4]N[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](N[4]C[6a]Si[4])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[4]N[4]2){1|Si<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[4](N[4]C[6a]Si[4])2(C[6a]C[6a]2){1|N<2>,1|N<3>,2|H<1>,6|C<3>}	120.4480	1.430	4	120.3096	2.524	14	120.1629	2.040	134	120.2234	1.971	562	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	N[4]-3:N[4]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[4]N[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](N[4]C[6a]Si[4])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[4]N[4]2){1|Si<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[4](N[4]C[6a]Si[4])2(C[6a]C[6a]2){1|Se<1>,1|N<3>,2|H<1>,6|C<3>}	119.7895	0.804	2	120.3096	2.524	14	120.1629	2.040	134	120.2234	1.971	562	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	N[4]-3:N[4]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[4]N[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](N[4]C[6a]Si[4])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[4]N[4]2){1|Si<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[4](N[4]C[6a]Si[4])2(C[6a]C[6a]2){1|Te<1>,1|N<3>,2|H<1>,6|C<3>}	120.1190	1.301	2	120.3096	2.524	14	120.1629	2.040	134	120.2234	1.971	562	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	N[4]-3:N[4]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[4]N[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](N[4]C[6a]Si[4])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[4]N[4]2){1|Si<5>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	C[4](N[4]C[6a]Si[4])2(C[6a]C[6a]2){3|Cl<1>,2|H<1>,6|C<3>}	120.8735	3.959	2	120.3096	2.524	14	120.1629	2.040	134	120.2234	1.971	562	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	N[4]-3:N[4]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[4]N[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](N[4]In[4,4]C)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[4]N[4]2){1|In<5>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[4](N[4]In[4,4]C)2(C[6a]C[6a]2){1|Br<1>,2|C<3>,2|H<1>,2|N<3>}	120.3367	1.049	4	120.3367	1.100	4	120.1629	2.040	134	120.2234	1.971	562	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	N[4]-3:N[4]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[4]N[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](N[4]Si[3,3,4,5]C)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[4]N[4]2){1|Si<6>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[4](N[4]Si[3,3,4,5]C)2(C[6a]C[6a]2){1|Si<6>,2|H<1>,2|O<2>,3|C<3>}	120.2425	1.583	2	120.2425	2.507	2	120.1629	2.040	134	120.2234	1.971	562	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	N[4]-3:N[4]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[4]N[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](N[4]Si[3,4]C)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[4]N[4]2){1|Si<5>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[4](N[4]Si[3,4]C)2(C[6a]C[6a]2){1|C<4>,2|C<3>,2|H<1>,2|N<3>}	120.1642	0.634	4	120.0829	0.987	12	120.1629	2.040	134	120.2234	1.971	562	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	N[4]-3:N[4]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[4]N[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](N[4]Si[3,4]C)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[4]N[4]2){1|Si<5>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[4](N[4]Si[3,4]C)2(C[6a]C[6a]2){1|C<4>,2|H<1>,4|C<3>}	120.1625	0.456	2	120.0829	0.987	12	120.1629	2.040	134	120.2234	1.971	562	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	N[4]-3:N[4]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[4]N[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](N[4]Si[3,4]C)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[4]N[4]2){1|Si<5>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[4](N[4]Si[3,4]C)2(C[6a]C[6a]2){1|Cl<1>,1|C<4>,1|O<2>,2|C<3>,2|H<1>}	119.8760	3.043	2	120.0829	0.987	12	120.1629	2.040	134	120.2234	1.971	562	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	N[4]-3:N[4]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[4]N[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](N[4]Si[3,4]C)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[4]N[4]2){1|Si<5>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[4](N[4]Si[3,4]C)2(C[6a]C[6a]2){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	120.0815	0.083	2	120.0829	0.987	12	120.1629	2.040	134	120.2234	1.971	562	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	N[4]-3:N[4]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[4]N[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](N[4]Si[3,4]C)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[4]N[4]2){1|Si<5>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[4](N[4]Si[3,4]C)2(C[6a]C[6a]2){1|Si<4>,1|O<2>,2|H<1>,3|C<3>}	120.0490	0.208	2	120.0829	0.987	12	120.1629	2.040	134	120.2234	1.971	562	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	N[4]-3:N[4]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[4]N[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](N[4]Si[4,4,5]C)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[4]N[4]2){1|Si<5>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[4](N[4]Si[4,4,5]C)2(C[6a]C[6a]2){1|C<6>,1|O<2>,2|H<1>,3|C<3>}	120.7357	2.745	4	120.5045	2.744	13	120.1629	2.040	134	120.2234	1.971	562	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	N[4]-3:N[4]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[4]N[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](N[4]Si[4,4,5]C)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[4]N[4]2){1|Si<5>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[4](N[4]Si[4,4,5]C)2(C[6a]C[6a]2){1|Si<4>,1|O<2>,2|H<1>,3|C<3>}	120.2175	1.357	2	120.5045	2.744	13	120.1629	2.040	134	120.2234	1.971	562	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	N[4]-3:N[4]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[4]N[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](N[4]Si[4,4,5]C)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[4]N[4]2){1|Si<6>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[4](N[4]Si[4,4,5]C)2(C[6a]C[6a]2){2|C<3>,2|H<1>,2|N<3>,2|O<2>}	120.4544	1.161	7	120.5045	2.744	13	120.1629	2.040	134	120.2234	1.971	562	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	N[4]-3:N[4]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[4]N[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](N[4]Si[4,4,6,6]C)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[4]N[4]2){1|Si<5>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[4](N[4]Si[4,4,6,6]C)2(C[6a]C[6a]2){1|C<5>,2|H<1>,4|C<3>}	120.1655	0.921	2	120.1655	0.849	2	120.1629	2.040	134	120.2234	1.971	562	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	N[4]-3:N[4]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[4]N[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](N[4]Si[4,4,6]C)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[4]N[4]2){1|Si<4>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[4](N[4]Si[4,4,6]C)2(C[6a]C[6a]2){1|B<4>,1|C<5>,2|C<3>,2|H<1>}	120.0065	2.078	2	120.0065	4.319	2	120.1629	2.040	134	120.2234	1.971	562	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	N[4]-3:N[4]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[4]N[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](N[4]Si[4,4]C)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[4]N[4]2){1|Si<4>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[4](N[4]Si[4,4]C)2(C[6a]C[6a]2){2|As<2>,2|C<3>,2|H<1>}	120.0180	2.575	2	120.1078	1.680	50	120.1629	2.040	134	120.2234	1.971	562	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	N[4]-3:N[4]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[4]N[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](N[4]Si[4,4]C)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[4]N[4]2){1|Si<5>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[4](N[4]Si[4,4]C)2(C[6a]C[6a]2){1|Al<4>,2|C<3>,2|H<1>,2|N<3>}	119.8960	2.304	4	120.1078	1.680	50	120.1629	2.040	134	120.2234	1.971	562	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	N[4]-3:N[4]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[4]N[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](N[4]Si[4,4]C)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[4]N[4]2){1|Si<5>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[4](N[4]Si[4,4]C)2(C[6a]C[6a]2){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	120.1610	0.544	2	120.1078	1.680	50	120.1629	2.040	134	120.2234	1.971	562	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	N[4]-3:N[4]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[4]N[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](N[4]Si[4,4]C)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[4]N[4]2){1|Si<5>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[4](N[4]Si[4,4]C)2(C[6a]C[6a]2){1|C<5>,2|C<3>,2|H<1>,2|O<2>}	119.8340	1.929	2	120.1078	1.680	50	120.1629	2.040	134	120.2234	1.971	562	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	N[4]-3:N[4]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[4]N[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](N[4]Si[4,4]C)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[4]N[4]2){1|Si<5>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[4](N[4]Si[4,4]C)2(C[6a]C[6a]2){1|Cl<1>,1|Si<4>,2|H<1>,3|C<3>}	120.0465	1.935	2	120.1078	1.680	50	120.1629	2.040	134	120.2234	1.971	562	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	N[4]-3:N[4]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[4]N[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](N[4]Si[4,4]C)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[4]N[4]2){1|Si<5>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[4](N[4]Si[4,4]C)2(C[6a]C[6a]2){1|Cl<1>,2|C<3>,2|H<1>,2|N<3>}	120.0545	2.685	2	120.1078	1.680	50	120.1629	2.040	134	120.2234	1.971	562	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	N[4]-3:N[4]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[4]N[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](N[4]Si[4,4]C)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[4]N[4]2){1|Si<5>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[4](N[4]Si[4,4]C)2(C[6a]C[6a]2){1|Fe<5>,2|C<3>,2|H<1>,2|N<3>}	119.9510	1.283	4	120.1078	1.680	50	120.1629	2.040	134	120.2234	1.971	562	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	N[4]-3:N[4]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[4]N[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](N[4]Si[4,4]C)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[4]N[4]2){1|Si<5>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[4](N[4]Si[4,4]C)2(C[6a]C[6a]2){1|N<3>,2|C<3>,2|H<1>,2|O<2>}	120.1407	0.271	6	120.1078	1.680	50	120.1629	2.040	134	120.2234	1.971	562	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	N[4]-3:N[4]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[4]N[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](N[4]Si[4,4]C)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[4]N[4]2){1|Si<5>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[4](N[4]Si[4,4]C)2(C[6a]C[6a]2){1|Si<4>,1|O<2>,2|H<1>,3|C<3>}	120.2325	2.437	4	120.1078	1.680	50	120.1629	2.040	134	120.2234	1.971	562	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	N[4]-3:N[4]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[4]N[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](N[4]Si[4,4]C)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[4]N[4]2){1|Si<5>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[4](N[4]Si[4,4]C)2(C[6a]C[6a]2){2|H<1>,2|O<2>,3|C<3>}	120.0575	1.023	4	120.1078	1.680	50	120.1629	2.040	134	120.2234	1.971	562	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	N[4]-3:N[4]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[4]N[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](N[4]Si[4,4]C)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[4]N[4]2){1|Si<6>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[4](N[4]Si[4,4]C)2(C[6a]C[6a]2){2|C<2>,2|C<3>,2|H<1>,2|N<3>}	120.1185	0.703	4	120.1078	1.680	50	120.1629	2.040	134	120.2234	1.971	562	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	N[4]-3:N[4]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[4]N[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](N[4]Si[4,4]C)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[4]N[4]2){1|Si<6>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[4](N[4]Si[4,4]C)2(C[6a]C[6a]2){2|C<3>,2|F<1>,2|H<1>,2|N<3>}	120.2018	0.912	4	120.1078	1.680	50	120.1629	2.040	134	120.2234	1.971	562	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	N[4]-3:N[4]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[4]N[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](N[4]Si[4,4]C)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[4]N[4]2){1|Si<6>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[4](N[4]Si[4,4]C)2(C[6a]C[6a]2){2|C<3>,2|H<1>,2|N<2>,2|N<3>}	120.4440	1.392	6	120.1078	1.680	50	120.1629	2.040	134	120.2234	1.971	562	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	N[4]-3:N[4]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[4]N[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](N[4]Si[4,4]C)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[4]N[4]2){1|Si<6>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[4](N[4]Si[4,4]C)2(C[6a]C[6a]2){2|Cl<1>,2|C<3>,2|H<1>,2|N<3>}	119.9557	1.084	4	120.1078	1.680	50	120.1629	2.040	134	120.2234	1.971	562	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	N[4]-3:N[4]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[4]N[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](N[4]Si[4,4]Si)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[4]N[4]2){1|Si<6>,2|Si<4>,1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[4](N[4]Si[4,4]Si)2(C[6a]C[6a]2){2|Cl<1>,2|C<3>,2|H<1>,2|N<3>}	120.2610	2.878	2	120.2610	8.282	2	120.1629	2.040	134	120.2234	1.971	562	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	N[4]-3:N[4]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[4]N[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](N[4]Si[4,5,5]C)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[4]N[4]2){1|Si<6>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[4](N[4]Si[4,5,5]C)2(C[6a]C[6a]2){1|N<3>,2|C<3>,2|H<1>,3|O<2>}	119.9665	1.271	2	119.9665	1.615	2	120.1629	2.040	134	120.2234	1.971	562	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	N[4]-3:N[4]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[4]N[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](N[4]Si[4,5,6,6]C)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[4]N[4]2){1|Si<4>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[4](N[4]Si[4,5,6,6]C)2(C[6a]C[6a]2){1|B<4>,1|C<4>,2|C<3>,2|H<1>}	119.6130	0.000	1	119.6130	0.000	1	120.1629	2.040	134	120.2234	1.971	562	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	N[4]-3:N[4]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[4]N[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](N[4]Si[4,5]C)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[4]N[4]2){1|Si<4>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[4](N[4]Si[4,5]C)2(C[6a]C[6a]2){1|N<3>,2|H<1>,3|C<3>}	120.0023	2.391	4	120.1170	2.305	20	120.1629	2.040	134	120.2234	1.971	562	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	N[4]-3:N[4]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[4]N[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](N[4]Si[4,5]C)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[4]N[4]2){1|Si<5>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[4](N[4]Si[4,5]C)2(C[6a]C[6a]2){1|Cl<1>,2|C<3>,2|H<1>,2|O<2>}	119.9695	3.569	2	120.1170	2.305	20	120.1629	2.040	134	120.2234	1.971	562	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	N[4]-3:N[4]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[4]N[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](N[4]Si[4,5]C)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[4]N[4]2){1|Si<5>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[4](N[4]Si[4,5]C)2(C[6a]C[6a]2){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	120.3340	2.019	2	120.1170	2.305	20	120.1629	2.040	134	120.2234	1.971	562	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	N[4]-3:N[4]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[4]N[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](N[4]Si[4,5]C)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[4]N[4]2){1|Si<5>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[4](N[4]Si[4,5]C)2(C[6a]C[6a]2){1|N<3>,2|C<3>,2|H<1>,2|O<2>}	120.5290	1.648	2	120.1170	2.305	20	120.1629	2.040	134	120.2234	1.971	562	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	N[4]-3:N[4]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[4]N[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](N[4]Si[4,5]C)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[4]N[4]2){1|Si<6>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[4](N[4]Si[4,5]C)2(C[6a]C[6a]2){1|N<3>,1|O<2>,2|C<3>,2|H<1>,2|N<2>}	120.0652	0.328	6	120.1170	2.305	20	120.1629	2.040	134	120.2234	1.971	562	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	N[4]-3:N[4]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[4]N[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](N[4]Si[4,5]C)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[4]N[4]2){1|Si<6>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[4](N[4]Si[4,5]C)2(C[6a]C[6a]2){2|Br<1>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	120.1130	1.737	2	120.1170	2.305	20	120.1629	2.040	134	120.2234	1.971	562	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	N[4]-3:N[4]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[4]N[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](N[4]Si[4,5]C)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[4]N[4]2){1|Si<6>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[4](N[4]Si[4,5]C)2(C[6a]C[6a]2){2|Cl<1>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	120.0250	1.730	2	120.1170	2.305	20	120.1629	2.040	134	120.2234	1.971	562	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	N[4]-3:N[4]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[4]N[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](N[4]Si[4,6,6]C)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[4]N[4]2){1|Si<4>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[4](N[4]Si[4,6,6]C)2(C[6a]C[6a]2){1|B<3>,1|C<5>,2|C<3>,2|H<1>}	119.9220	2.446	4	119.9969	4.983	10	120.1629	2.040	134	120.2234	1.971	562	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	N[4]-3:N[4]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[4]N[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](N[4]Si[4,6,6]C)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[4]N[4]2){1|Si<4>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[4](N[4]Si[4,6,6]C)2(C[6a]C[6a]2){1|B<4>,1|C<5>,2|C<3>,2|H<1>}	119.9673	2.967	4	119.9969	4.983	10	120.1629	2.040	134	120.2234	1.971	562	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	N[4]-3:N[4]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[4]N[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](N[4]Si[4,6,6]C)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[4]N[4]2){1|Si<4>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[4](N[4]Si[4,6,6]C)2(C[6a]C[6a]2){1|C<5>,2|H<1>,3|C<3>}	120.2060	0.601	2	119.9969	4.983	10	120.1629	2.040	134	120.2234	1.971	562	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:3:4:	C[4]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[4]-3:C[6a]-3:P[4]-4:	C[6a](C[4]C[4]P[4])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](C[4]C[6a]C[4])(C[6a]C[6a]2)(P[4]C[4]CW)	C[6a](C[4]C[4]P[4])(C[6a]C[6a]H)2{1|C<4>,1|W<6>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|P<4>,2|C<3>,2|H<1>}	C[4](C[4]C[6a]C[4])(C[6a]C[6a]2)(P[4]C[4]CW){1|O<1>,2|H<1>,4|C<3>}	120.4105	2.996	2	120.4105	8.976	2	120.4105	8.976	2	119.4848	6.041	6	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[4]-3:C[6a]-3:C[4]-4:	C[6a](C[6a]C[6a]H)2(C[4]C[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](C[4]C[6a]C[4])(C[6a]C[6a]2)(C[4]C[4]CC)	C[6a](C[6a]C[6a]H)2(C[4]C[4]2){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[4](C[4]C[6a]C[4])(C[6a]C[6a]2)(C[4]C[4]CC){1|O<1>,2|H<1>,4|C<3>}	120.9310	2.012	2	120.9310	4.050	2	119.0220	6.220	4	119.4848	6.041	6	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[4]-3:C[6a]-3:C[4]-4:	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(C[4]C[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](C[4]C[6a]C[4])(C[6a]C[6a]2)(C[4]C[4]HH)	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(C[4]C[4]2){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|Si<4>,1|C<4>,1|H<1>,2|C<3>}	C[4](C[4]C[6a]C[4])(C[6a]C[6a]2)(C[4]C[4]HH){1|Si<4>,1|H<1>,5|C<3>}	117.1130	0.182	2	117.1130	0.033	2	119.0220	6.220	4	119.4848	6.041	6	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:4:2:	C[4]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[4]-4:N[4]-2:	C[6a](C[4]C[4]N[4])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](C[6a]C[6a]2)(C[4]C[4]CH)(N[4]C[4])	C[6a](C[4]C[4]N[4])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[4](C[6a]C[6a]2)(C[4]C[4]CH)(N[4]C[4]){1|P<4>,2|H<1>,3|C<3>}	120.6200	0.047	2	120.3487	0.103	4	120.3487	0.103	4	120.3487	0.103	4	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:4:2:	C[4]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[4]-4:N[4]-2:	C[6a](C[4]C[4]N[4])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](C[6a]C[6a]2)(C[4]C[4]CH)(N[4]C[4])	C[6a](C[4]C[4]N[4])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[4](C[6a]C[6a]2)(C[4]C[4]CH)(N[4]C[4]){2|H<1>,4|C<3>}	120.0775	0.118	2	120.3487	0.103	4	120.3487	0.103	4	120.3487	0.103	4	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:4:3:	C[4]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[4,5]-3:C[4]-4:C[6a]-3:	C[6a](C[4]C[4,5]C[4])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]C)(H)	C[4](C[4,5]C[4,5]C[5])(C[4]C[4,5]CO)(C[6a]C[6a]2)	C[6a](C[4]C[4,5]C[4])(C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]C)(H){2|C<3>,3|C<4>}	C[4](C[4,5]C[4,5]C[5])(C[4]C[4,5]CO)(C[6a]C[6a]2){2|C<4>,3|C<3>,3|H<1>}	118.6350	0.000	1	118.6350	0.000	1	120.2124	1.019	5	120.8079	1.844	57	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:4:3:	C[4]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[4,5]-3:C[4]-4:C[6a]-3:	C[6a](C[4]C[4,5]C[4])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](C[4,5]C[4,5]C[5])(C[4]C[4,5]CO)(C[6a]C[6a]2)	C[6a](C[4]C[4,5]C[4])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[4](C[4,5]C[4,5]C[5])(C[4]C[4,5]CO)(C[6a]C[6a]2){1|C<4>,3|C<3>,4|H<1>}	120.5920	0.776	2	120.5920	0.603	2	120.2124	1.019	5	120.8079	1.844	57	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:4:3:	C[4]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[4,5]-3:C[4]-4:C[6a]-3:	C[6a](C[4]C[4,5]C[4])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](C[4,5]C[5,6a]C[4,5])(C[4]C[4,5]CS)(C[6a]C[6a]2)	C[6a](C[4]C[4,5]C[4])(C[6a]C[6a]H)2{1|C<4>,1|S<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[4](C[4,5]C[5,6a]C[4,5])(C[4]C[4,5]CS)(C[6a]C[6a]2){2|H<1>,5|C<3>}	120.6215	0.602	2	120.6215	0.362	2	120.2124	1.019	5	120.8079	1.844	57	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:4:3:	C[4]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[4,6]-3:C[4]-4:C[6a]-3:	C[6a](C[4]C[4,6]C[4])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](C[4,6]C[3,6]C[4,6])(C[4]C[4,6]HH)(C[6a]C[6a]2)	C[6a](C[4]C[4,6]C[4])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	C[4](C[4,6]C[3,6]C[4,6])(C[4]C[4,6]HH)(C[6a]C[6a]2){2|C<3>,2|H<1>,5|C<4>}	120.7710	1.624	2	120.7710	2.636	2	120.7710	2.636	2	120.8079	1.844	57	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:4:3:	C[4]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[4]-3:C[4,4]-4:C[6a]-3:	C[6a](C[4]C[4,4]C[4])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](C[4]C[4,4]C[6a])(C[4,4]C[4,4]2F)(C[6a]C[6a]2)	C[6a](C[4]C[4,4]C[4])(C[6a]C[6a]H)2{1|F<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[4](C[4]C[4,4]C[6a])(C[4,4]C[4,4]2F)(C[6a]C[6a]2){1|C<4>,1|F<1>,2|H<1>,6|C<3>}	120.8645	0.581	8	120.8645	0.337	8	120.8645	0.337	8	120.8079	1.844	57	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:4:3:	C[4]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[4]-3:Ge[4,4]-4:C[6a]-3:	C[6a](C[4]Ge[4,4]C[4])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](C[4]C[6a]Si[4])(Ge[4,4]Si[4]3)(C[6a]C[6a]2)	C[6a](C[4]Ge[4,4]C[4])(C[6a]C[6a]H)2{3|Si<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|Ge<4>,2|C<3>,2|H<1>}	C[4](C[4]C[6a]Si[4])(Ge[4,4]Si[4]3)(C[6a]C[6a]2){3|Si<4>,2|H<1>,4|C<3>,4|C<4>}	121.1455	0.511	2	121.1455	0.261	2	121.1455	0.261	2	120.8079	1.844	57	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:4:3:	C[4]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[4]-3:Si[4]-4:C[6a]-3:	C[6a](C[4]Si[4]C[4])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](C[4]Ge[4,4]C[6a])(Si[4]Ge[4,4]CC)(C[6a]C[6a]2)	C[6a](C[4]Si[4]C[4])(C[6a]C[6a]H)2{1|Ge<4>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|Si<4>,2|C<3>,2|H<1>}	C[4](C[4]Ge[4,4]C[6a])(Si[4]Ge[4,4]CC)(C[6a]C[6a]2){1|Ge<4>,1|Si<4>,2|H<1>,4|C<3>}	121.6440	1.919	2	121.4218	1.400	4	121.3672	1.291	6	120.8079	1.844	57	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:4:3:	C[4]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[4]-3:Si[4]-4:C[6a]-3:	C[6a](C[4]Si[4]C[4])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](C[4]Ge[4,4]C[6a])(Si[4]Ge[4,4]CC)(C[6a]C[6a]2)	C[6a](C[4]Si[4]C[4])(C[6a]C[6a]H)2{1|Ge<4>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|Si<4>,2|C<3>,2|H<1>}	C[4](C[4]Ge[4,4]C[6a])(Si[4]Ge[4,4]CC)(C[6a]C[6a]2){2|Si<4>,2|H<1>,4|C<3>}	121.1995	0.566	2	121.4218	1.400	4	121.3672	1.291	6	120.8079	1.844	57	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:4:3:	C[4]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[4]-3:Si[4]-4:C[6a]-3:	C[6a](C[4]Si[4]C[4])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](C[4]Si[4,4]C[6a])(Si[4]Si[4,4]ClN)(C[6a]C[6a]2)	C[6a](C[4]Si[4]C[4])(C[6a]C[6a]H)2{1|Cl<1>,1|Si<5>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|Si<4>,2|C<3>,2|H<1>}	C[4](C[4]Si[4,4]C[6a])(Si[4]Si[4,4]ClN)(C[6a]C[6a]2){1|Cl<1>,2|H<1>,2|N<3>,4|C<3>}	121.2580	1.489	2	121.2580	2.218	2	121.3672	1.291	6	120.8079	1.844	57	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[4]-4:C[4]-3:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[4]C[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(Br)	C[4](C[6a]C[6a]2)(C[4]C[4]CH)(C[4]C[4]H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[4]C[4]2){1|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(Br){1|C<4>,2|C<3>,2|H<1>}	C[4](C[6a]C[6a]2)(C[4]C[4]CH)(C[4]C[4]H){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	125.9980	0.000	1	125.9980	0.000	1	125.9980	0.000	1	120.8079	1.844	57	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[4]-4:C[4]-3:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[4]C[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](C[6a]C[6a]2)(C[4]C[4]CH)(C[4]C[4]H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[4]C[4]2){1|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	C[4](C[6a]C[6a]2)(C[4]C[4]CH)(C[4]C[4]H){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	118.0880	0.000	1	118.0880	0.000	1	120.6072	1.729	33	120.8079	1.844	57	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[4]-4:C[4]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[4]C[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](C[6a]C[6a]2)(C[4]C[4]CH)(C[4]C[4]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[4]C[4]2){1|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[4](C[6a]C[6a]2)(C[4]C[4]CH)(C[4]C[4]H){1|H<1>,2|C<3>,3|C<4>}	117.4050	0.000	1	117.4050	0.000	1	120.6072	1.729	33	120.8079	1.844	57	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[4]-4:C[4]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[4]C[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](C[6a]C[6a]2)(C[4]C[4]HH)(C[4]C[4]C)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[4]C[4]2){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[4](C[6a]C[6a]2)(C[4]C[4]HH)(C[4]C[4]C){1|C<4>,2|C<3>,3|H<1>}	119.0330	0.856	2	119.0330	0.732	2	120.6072	1.729	33	120.8079	1.844	57	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[4]-4:C[4]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[4]C[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](C[6a]C[6a]2)(C[4]C[4]HH)(C[4]C[4]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[4]C[4]2){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[4](C[6a]C[6a]2)(C[4]C[4]HH)(C[4]C[4]H){1|O<2>,2|C<3>,3|H<1>}	118.9460	0.000	1	118.9460	0.000	1	120.6072	1.729	33	120.8079	1.844	57	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[4]-4:C[4]-3:	C[6a](C[6a]C[6a]H)2(C[4]C[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](C[6a]C[6a]2)(C[4]C[4]CC)(C[4]C[4]H)	C[6a](C[6a]C[6a]H)2(C[4]C[4]2){1|C<3>,3|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[4](C[6a]C[6a]2)(C[4]C[4]CC)(C[4]C[4]H){2|C<3>,2|C<4>,2|H<1>}	119.9850	1.322	2	119.9850	1.748	2	120.6072	1.729	33	120.8079	1.844	57	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[4]-4:C[4]-3:	C[6a](C[6a]C[6a]H)2(C[4]C[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](C[6a]C[6a]2)(C[4]C[4]CH)(C[4]C[4]C)	C[6a](C[6a]C[6a]H)2(C[4]C[4]2){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[4](C[6a]C[6a]2)(C[4]C[4]CH)(C[4]C[4]C){2|H<1>,3|C<3>}	120.6240	2.283	2	120.6240	5.210	2	120.6072	1.729	33	120.8079	1.844	57	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[4]-4:C[4]-3:	C[6a](C[6a]C[6a]H)2(C[4]C[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](C[6a]C[6a]2)(C[4]C[4]CH)(C[4]C[4]N)	C[6a](C[6a]C[6a]H)2(C[4]C[4]2){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[4](C[6a]C[6a]2)(C[4]C[4]CH)(C[4]C[4]N){3|C<3>,3|H<1>}	120.7785	0.524	2	120.7785	0.275	2	120.6072	1.729	33	120.8079	1.844	57	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[4]-4:C[4]-3:	C[6a](C[6a]C[6a]H)2(C[4]C[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](C[6a]C[6a]2)(C[4]C[4]HH)(C[4]C[4]C)	C[6a](C[6a]C[6a]H)2(C[4]C[4]2){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[4](C[6a]C[6a]2)(C[4]C[4]HH)(C[4]C[4]C){2|H<1>,3|C<3>}	120.8315	0.938	4	120.8315	0.879	4	120.6072	1.729	33	120.8079	1.844	57	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[4]-4:C[4]-3:	C[6a](C[6a]C[6a]H)2(C[4]C[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](C[6a]C[6a]2)(C[4]C[4]HH)(C[4]C[4]H)	C[6a](C[6a]C[6a]H)2(C[4]C[4]2){1|C<3>,1|C<4>,5|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	C[4](C[6a]C[6a]2)(C[4]C[4]HH)(C[4]C[4]H){1|C<4>,2|H<1>,3|C<3>}	121.3237	0.564	4	121.2716	0.313	16	120.6072	1.729	33	120.8079	1.844	57	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[4]-4:C[4]-3:	C[6a](C[6a]C[6a]H)2(C[4]C[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](C[6a]C[6a]2)(C[4]C[4]HH)(C[4]C[4]H)	C[6a](C[6a]C[6a]H)2(C[4]C[4]2){1|C<3>,1|C<4>,5|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[4](C[6a]C[6a]2)(C[4]C[4]HH)(C[4]C[4]H){1|C<4>,2|C<3>,3|H<1>}	121.5378	0.294	4	121.2716	0.313	16	120.6072	1.729	33	120.8079	1.844	57	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[4]-4:C[4]-3:	C[6a](C[6a]C[6a]H)2(C[4]C[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](C[6a]C[6a]2)(C[4]C[4]HH)(C[4]C[4]H)	C[6a](C[6a]C[6a]H)2(C[4]C[4]2){1|C<3>,1|C<4>,5|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[4](C[6a]C[6a]2)(C[4]C[4]HH)(C[4]C[4]H){1|C<4>,2|H<1>,3|C<3>}	120.7105	0.262	2	121.2716	0.313	16	120.6072	1.729	33	120.8079	1.844	57	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[4]-4:C[4]-3:	C[6a](C[6a]C[6a]H)2(C[4]C[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](C[6a]C[6a]2)(C[4]C[4]HH)(C[4]C[4]H)	C[6a](C[6a]C[6a]H)2(C[4]C[4]2){1|C<3>,1|C<4>,5|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[4](C[6a]C[6a]2)(C[4]C[4]HH)(C[4]C[4]H){1|C<4>,2|H<1>,3|C<3>}	121.2463	0.706	6	121.2716	0.313	16	120.6072	1.729	33	120.8079	1.844	57	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[4]-4:C[4]-3:	C[6a](C[6a]C[6a]H)2(C[4]C[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](C[6a]C[6a]2)(C[4]C[4]OO)(C[4]C[4]C)	C[6a](C[6a]C[6a]H)2(C[4]C[4]2){2|H<1>,2|O<2>,3|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[4](C[6a]C[6a]2)(C[4]C[4]OO)(C[4]C[4]C){1|O<1>,2|C<3>,2|H<1>}	120.5440	2.758	2	120.5440	7.605	2	120.6072	1.729	33	120.8079	1.844	57	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	4:3:2:	C[4]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[4]-4:C[6a]-3:N[4]-2:	C[6a](C[4]C[4]N[4])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](C[4]C[6a]C[4]H)(C[6a]C[6a]2)(N[4]C[4])	C[6a](C[4]C[4]N[4])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[4](C[4]C[6a]C[4]H)(C[6a]C[6a]2)(N[4]C[4]){2|H<1>,6|C<3>}	119.9650	1.434	2	119.9650	2.056	2	119.9650	2.056	2	119.9650	2.056	2	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	4:3:3:	C[4]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[4,6]-4:C[4]-3:C[6a]-3:	C[6a](C[4]C[4,6]C[4])(C[6a]C[6a]Cl)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(Cl)	C[4](C[4,6]C[4,6]C[6]H)(C[4]C[4,6]H)(C[6a]C[6a]2)	C[6a](C[4]C[4,6]C[4])(C[6a]C[6a]Cl)(C[6a]C[6a]N){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(Cl){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[4](C[4,6]C[4,6]C[6]H)(C[4]C[4,6]H)(C[6a]C[6a]2){1|Cl<1>,1|C<4>,1|N<3>,2|H<1>,3|C<3>}	124.0910	0.000	1	124.0910	0.000	1	124.0910	0.000	1	121.0599	2.395	181	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	4:3:3:	C[4]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	B[4,5]-4:C[4]-3:C[6a]-3:	C[6a](C[4]B[4,5]C[4])(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]F)(F)	C[4](B[4,5]S[4,5]C[6a]C[5])(C[4]S[4,5]C)(C[6a]C[6a]2)	C[6a](C[4]B[4,5]C[4])(C[6a]C[6a]F)2{1|S<3>,2|C<3>,2|C<4>,2|F<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]F)(F){1|B<4>,2|C<3>,2|F<1>}	C[4](B[4,5]S[4,5]C[6a]C[5])(C[4]S[4,5]C)(C[6a]C[6a]2){2|C<4>,2|F<1>,6|C<3>}	121.9555	0.203	2	121.9555	0.041	2	121.9555	0.041	2	121.0599	2.395	181	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	4:3:3:	C[4]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	B[4]-4:C[4]-3:C[6a]-3:	C[6a](C[4]B[4]C[4])(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]F)(F)	C[4](B[4]C[6a]2P[4])(C[4]C[6a]P[4])(C[6a]C[6a]2)	C[6a](C[4]B[4]C[4])(C[6a]C[6a]F)2{1|P<4>,2|F<1>,4|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]F)(F){1|B<4>,2|C<3>,2|F<1>}	C[4](B[4]C[6a]2P[4])(C[4]C[6a]P[4])(C[6a]C[6a]2){10|C<3>,2|F<1>}	122.4992	1.002	6	122.4992	1.004	6	122.4992	1.004	6	121.0599	2.395	181	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	4:3:3:	C[4]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	B[4]-4:C[6a]-3:C[4]-3:	C[6a](C[4]B[4]C[4])(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]F)(F)	C[4](B[4]C[6a]2P[4])(C[6a]C[6a]2)(C[4]P[4]C)	C[6a](C[4]B[4]C[4])(C[6a]C[6a]F)2{1|C<4>,1|P<4>,2|F<1>,3|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]F)(F){1|B<4>,2|C<3>,2|F<1>}	C[4](B[4]C[6a]2P[4])(C[6a]C[6a]2)(C[4]P[4]C){2|F<1>,8|C<3>}	122.2873	0.659	4	122.2873	0.435	4	122.4498	2.684	6	121.0599	2.395	181	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	4:3:3:	C[4]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	B[4]-4:C[6a]-3:C[4]-3:	C[6a](C[4]B[4]C[4])(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]F)(F)	C[4](B[4]C[6a]2P[4])(C[6a]C[6a]2)(C[4]P[4]H)	C[6a](C[4]B[4]C[4])(C[6a]C[6a]F)2{1|H<1>,1|P<4>,2|F<1>,3|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]F)(F){1|B<4>,2|C<3>,2|F<1>}	C[4](B[4]C[6a]2P[4])(C[6a]C[6a]2)(C[4]P[4]H){2|F<1>,8|C<3>}	122.7750	3.435	2	122.7750	11.800	2	122.4498	2.684	6	121.0599	2.395	181	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	4:3:3:	C[4]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[4,4]-4:C[4]-3:C[6a]-3:	C[6a](C[4]C[4,4]C[4])(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]F)(F)	C[4](C[4,4]C[4,4]C[4]Si)(C[4]C[4,4]Si)(C[6a]C[6a]2)	C[6a](C[4]C[4,4]C[4])(C[6a]C[6a]F)2{2|Si<4>,1|C<3>,2|C<4>,2|F<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]F)(F){1|C<4>,2|C<3>,2|F<1>}	C[4](C[4,4]C[4,4]C[4]Si)(C[4]C[4,4]Si)(C[6a]C[6a]2){1|Si<4>,1|C<4>,2|C<3>,2|F<1>,2|H<1>}	122.2115	1.261	2	122.1388	0.595	4	122.1388	0.595	4	121.0599	2.395	181	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	4:3:3:	C[4]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[4,4]-4:C[4]-3:C[6a]-3:	C[6a](C[4]C[4,4]C[4])(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]F)(F)	C[4](C[4,4]C[4,4]C[4]Si)(C[4]C[4,4]Si)(C[6a]C[6a]2)	C[6a](C[4]C[4,4]C[4])(C[6a]C[6a]F)2{2|Si<4>,1|C<4>,2|C<3>,2|F<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]F)(F){1|C<4>,2|C<3>,2|F<1>}	C[4](C[4,4]C[4,4]C[4]Si)(C[4]C[4,4]Si)(C[6a]C[6a]2){1|Si<4>,1|H<1>,2|F<1>,3|C<3>}	122.0660	0.417	2	122.1388	0.595	4	122.1388	0.595	4	121.0599	2.395	181	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	4:3:3:	C[4]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[3,4]-4:N[4]-3:C[6a]-3:	C[6a](C[4]C[3,4]N[4])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](C[3,4]Nb[4x3,4]C[3,3]C[6a])(N[4]Nb[4x3,4]C[6a])(C[6a]C[6a]2)	C[6a](C[4]C[3,4]N[4])(C[6a]C[6a]H)2{1|Nb<7>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[4](C[3,4]Nb[4x3,4]C[3,3]C[6a])(N[4]Nb[4x3,4]C[6a])(C[6a]C[6a]2){1|N<2>,1|N<3>,2|H<1>,3|C<4>,6|C<3>}	120.6030	2.109	2	120.6030	4.446	2	120.6030	4.446	2	121.0599	2.395	181	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	4:3:3:	C[4]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[4,4]-4:C[4]-3:C[6a]-3:	C[6a](C[4]C[4,4]C[4])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](C[4,4]C[4,4]2C[6a])(C[4]C[4,4]C[6a])(C[6a]C[6a]2)	C[6a](C[4]C[4,4]C[4])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[4](C[4,4]C[4,4]2C[6a])(C[4]C[4,4]C[6a])(C[6a]C[6a]2){1|C<4>,1|F<1>,2|H<1>,8|C<3>}	120.8423	0.543	7	120.8423	0.295	7	120.6983	0.280	15	121.0599	2.395	181	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	4:3:3:	C[4]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[4,4]-4:C[4]-3:C[6a]-3:	C[6a](C[4]C[4,4]C[4])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](C[4,4]C[4,4]2Cl)(C[4]C[4,4]C[6a])(C[6a]C[6a]2)	C[6a](C[4]C[4,4]C[4])(C[6a]C[6a]H)2{1|Cl<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[4](C[4,4]C[4,4]2Cl)(C[4]C[4,4]C[6a])(C[6a]C[6a]2){2|Cl<1>,1|C<4>,2|H<1>,5|C<3>}	120.5722	0.517	8	120.5722	0.268	8	120.6983	0.280	15	121.0599	2.395	181	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	4:3:3:	C[4]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[4,5,6]-4:C[4]-3:C[6a]-3:	C[6a](C[4]C[4,5,6]C[4])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]Br)(H)	C[4](C[4,5,6]C[4,5,6]C[5,5,6]H)(C[4]C[4,5,6]C)(C[6a]C[6a]2)	C[6a](C[4]C[4,5,6]C[4])(C[6a]C[6a]H)2{1|Br<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]Br)(H){1|C<4>,2|C<3>,2|H<1>}	C[4](C[4,5,6]C[4,5,6]C[5,5,6]H)(C[4]C[4,5,6]C)(C[6a]C[6a]2){2|C<3>,3|C<4>,4|H<1>}	117.6690	0.520	2	117.6690	0.271	2	120.9417	9.025	16	121.0599	2.395	181	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	4:3:3:	C[4]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[4,5,6]-4:C[4]-3:C[6a]-3:	C[6a](C[4]C[4,5,6]C[4])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](C[4,5,6]C[4,5,6]C[5,5,6]H)(C[4]C[4,5,6]C)(C[6a]C[6a]2)	C[6a](C[4]C[4,5,6]C[4])(C[6a]C[6a]H)2{1|Br<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[4](C[4,5,6]C[4,5,6]C[5,5,6]H)(C[4]C[4,5,6]C)(C[6a]C[6a]2){2|C<3>,3|C<4>,4|H<1>}	123.7530	0.197	2	121.4465	9.936	12	120.9417	9.025	16	121.0599	2.395	181	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	4:3:3:	C[4]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[4,5,6]-4:C[4]-3:C[6a]-3:	C[6a](C[4]C[4,5,6]C[4])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](C[4,5,6]C[4,5,6]C[5,5,6]H)(C[4]C[4,5,6]C)(C[6a]C[6a]2)	C[6a](C[4]C[4,5,6]C[4])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[4](C[4,5,6]C[4,5,6]C[5,5,6]H)(C[4]C[4,5,6]C)(C[6a]C[6a]2){2|C<3>,3|C<4>,4|H<1>}	120.7313	3.118	4	121.4465	9.936	12	120.9417	9.025	16	121.0599	2.395	181	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	4:3:3:	C[4]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[4,5,6]-4:C[4]-3:C[6a]-3:	C[6a](C[4]C[4,5,6]C[4])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](C[4,5,6]C[4,5,6]C[5,5,6]H)(C[4]C[4,5,6]C)(C[6a]C[6a]2)	C[6a](C[4]C[4,5,6]C[4])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[4](C[4,5,6]C[4,5,6]C[5,5,6]H)(C[4]C[4,5,6]C)(C[6a]C[6a]2){2|C<4>,3|C<3>,4|H<1>}	120.6750	2.567	2	121.4465	9.936	12	120.9417	9.025	16	121.0599	2.395	181	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	4:3:3:	C[4]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[4,5,6]-4:C[4]-3:C[6a]-3:	C[6a](C[4]C[4,5,6]C[4])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](C[4,5,6]C[4,5,6]C[5,5,6]H)(C[4]C[4,5,6]C)(C[6a]C[6a]2)	C[6a](C[4]C[4,5,6]C[4])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[4](C[4,5,6]C[4,5,6]C[5,5,6]H)(C[4]C[4,5,6]C)(C[6a]C[6a]2){2|C<3>,3|C<4>,4|H<1>}	121.3942	4.458	4	121.4465	9.936	12	120.9417	9.025	16	121.0599	2.395	181	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	4:3:3:	C[4]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[4,5,6]-4:C[4]-3:C[6a]-3:	C[6a](C[4]C[4,5,6]C[4])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](C[4,5,6]C[4,6]C[5,6]C[5])(C[4]C[4,6]C[6a])(C[6a]C[6a]2)	C[6a](C[4]C[4,5,6]C[4])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[4](C[4,5,6]C[4,6]C[5,6]C[5])(C[4]C[4,6]C[6a])(C[6a]C[6a]2){1|N<3>,1|O<1>,3|H<1>,7|C<3>}	121.1855	1.101	2	121.1855	1.212	2	120.9417	9.025	16	121.0599	2.395	181	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	4:3:3:	C[4]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[4,5]-4:C[4,5]-3:C[6a]-3:	C[6a](C[4]C[4,5]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](C[4,5]C[5,6a]2C[4,5])(C[4,5]C[4,5]C[5,5])(C[6a]C[6a]2)	C[6a](C[4]C[4,5]2)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[4](C[4,5]C[5,6a]2C[4,5])(C[4,5]C[4,5]C[5,5])(C[6a]C[6a]2){10|C<3>,2|H<1>}	120.3215	0.049	2	120.3215	0.002	2	120.7630	3.218	6	121.0599	2.395	181	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	4:3:3:	C[4]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[4,5]-4:C[4,5]-3:C[6a]-3:	C[6a](C[4]C[4,5]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](C[4,5]C[5,6a]C[4,5]C[5,6])(C[4,5]C[5,6a]C[4,5])(C[6a]C[6a]2)	C[6a](C[4]C[4,5]2)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[4](C[4,5]C[5,6a]C[4,5]C[5,6])(C[4,5]C[5,6a]C[4,5])(C[6a]C[6a]2){2|C<4>,2|H<1>,8|C<3>}	120.9838	2.273	4	120.9838	5.168	4	120.7630	3.218	6	121.0599	2.395	181	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	4:3:3:	C[4]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[4,5]-4:C[4]-3:C[6a]-3:	C[6a](C[4]C[4,5]C[4])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](C[4,5]C[4,5,5]C[5]C)(C[4]C[4,5,5]H)(C[6a]C[6a]2)	C[6a](C[4]C[4,5]C[4])(C[6a]C[6a]H)2{1|C<2>,1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[4](C[4,5]C[4,5,5]C[5]C)(C[4]C[4,5,5]H)(C[6a]C[6a]2){2|C<4>,2|H<1>,4|C<3>}	121.4870	1.129	2	121.4870	1.274	2	120.8342	0.817	28	121.0599	2.395	181	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	4:3:3:	C[4]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[4,5]-4:C[4]-3:C[6a]-3:	C[6a](C[4]C[4,5]C[4])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](C[4,5]C[4,5]C[5,6]C[6a])(C[4]C[4,5]C[6a])(C[6a]C[6a]2)	C[6a](C[4]C[4,5]C[4])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[4](C[4,5]C[4,5]C[5,6]C[6a])(C[4]C[4,5]C[6a])(C[6a]C[6a]2){1|O<2>,2|H<1>,9|C<3>}	120.4955	0.513	2	120.4955	0.263	2	120.8342	0.817	28	121.0599	2.395	181	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	4:3:3:	C[4]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[4,5]-4:C[4]-3:C[6a]-3:	C[6a](C[4]C[4,5]C[4])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](C[4,5]C[4,5]C[5]C)(C[4]C[4,5]C[6a])(C[6a]C[6a]2)	C[6a](C[4]C[4,5]C[4])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[4](C[4,5]C[4,5]C[5]C)(C[4]C[4,5]C[6a])(C[6a]C[6a]2){1|O<1>,3|H<1>,6|C<3>}	120.8635	0.844	2	120.8635	0.712	2	120.8342	0.817	28	121.0599	2.395	181	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	4:3:3:	C[4]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[4,5]-4:C[4]-3:C[6a]-3:	C[6a](C[4]C[4,5]C[4])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](C[4,5]C[4,5]C[5]Cl)(C[4]C[4,5]H)(C[6a]C[6a]2)	C[6a](C[4]C[4,5]C[4])(C[6a]C[6a]H)2{1|Cl<1>,1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[4](C[4,5]C[4,5]C[5]Cl)(C[4]C[4,5]H)(C[6a]C[6a]2){1|Cl<1>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	120.4235	1.039	2	120.4235	1.079	2	120.8342	0.817	28	121.0599	2.395	181	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	4:3:3:	C[4]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[4,5]-4:C[4]-3:C[6a]-3:	C[6a](C[4]C[4,5]C[4])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](C[4,5]C[4,5]C[5]F)(C[4]C[4,5]H)(C[6a]C[6a]2)	C[6a](C[4]C[4,5]C[4])(C[6a]C[6a]H)2{1|C<4>,1|F<1>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[4](C[4,5]C[4,5]C[5]F)(C[4]C[4,5]H)(C[6a]C[6a]2){1|S<4>,2|F<1>,2|H<1>,3|C<3>}	120.3940	0.027	2	120.3940	0.001	2	120.8342	0.817	28	121.0599	2.395	181	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	4:3:3:	C[4]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[4,5]-4:C[4]-3:C[6a]-3:	C[6a](C[4]C[4,5]C[4])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](C[4,5]C[4,5]C[5]H)(C[4]C[4,5]C)(C[6a]C[6a]2)	C[6a](C[4]C[4,5]C[4])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[4](C[4,5]C[4,5]C[5]H)(C[4]C[4,5]C)(C[6a]C[6a]2){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	121.2285	1.863	2	121.2285	3.472	2	120.8342	0.817	28	121.0599	2.395	181	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	4:3:3:	C[4]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[4,5]-4:C[4]-3:C[6a]-3:	C[6a](C[4]C[4,5]C[4])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](C[4,5]C[4,5]C[6a]B[5])(C[4]C[4,5]C[6a])(C[6a]C[6a]2)	C[6a](C[4]C[4,5]C[4])(C[6a]C[6a]H)2{1|B<3>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[4](C[4,5]C[4,5]C[6a]B[5])(C[4]C[4,5]C[6a])(C[6a]C[6a]2){1|N<3>,2|H<1>,9|C<3>}	120.7710	0.397	6	120.7710	0.157	6	120.8342	0.817	28	121.0599	2.395	181	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	4:3:3:	C[4]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[4,5]-4:C[4]-3:C[6a]-3:	C[6a](C[4]C[4,5]C[4])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](C[4,5]C[4,5]C[6a]C[5])(C[4]C[4,5]C[6a])(C[6a]C[6a]2)	C[6a](C[4]C[4,5]C[4])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[4](C[4,5]C[4,5]C[6a]C[5])(C[4]C[4,5]C[6a])(C[6a]C[6a]2){1|B<3>,1|N<3>,1|S<1>,2|H<1>,7|C<3>}	121.0160	0.681	6	121.0160	0.464	6	120.8342	0.817	28	121.0599	2.395	181	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	4:3:3:	C[4]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[4,5]-4:C[4]-3:C[6a]-3:	C[6a](C[4]C[4,5]C[4])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](C[4,5]C[4,5]C[6a]O[5])(C[4]C[4,5]C[6a])(C[6a]C[6a]2)	C[6a](C[4]C[4,5]C[4])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[4](C[4,5]C[4,5]C[6a]O[5])(C[4]C[4,5]C[6a])(C[6a]C[6a]2){2|H<1>,9|C<3>}	120.8035	2.954	2	120.8035	8.724	2	120.8342	0.817	28	121.0599	2.395	181	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	4:3:3:	C[4]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[4,5]-4:C[4]-3:C[6a]-3:	C[6a](C[4]C[4,5]C[4])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](C[4,5]C[5,6a]C[4,5]H)(C[4]C[4,5]C[6a])(C[6a]C[6a]2)	C[6a](C[4]C[4,5]C[4])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[4](C[4,5]C[5,6a]C[4,5]H)(C[4]C[4,5]C[6a])(C[6a]C[6a]2){2|H<1>,8|C<3>}	120.6225	0.993	2	120.6225	0.987	2	120.8342	0.817	28	121.0599	2.395	181	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	4:3:3:	C[4]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[4,6,6]-4:C[4]-3:C[6a]-3:	C[6a](C[4]C[4,6,6]C[4])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](C[4,6,6]C[4,6,6]C[3x6]H)(C[4]C[4,6,6]C)(C[6a]C[6a]2)	C[6a](C[4]C[4,6,6]C[4])(C[6a]C[6a]H)2{1|C<3>,3|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	C[4](C[4,6,6]C[4,6,6]C[3x6]H)(C[4]C[4,6,6]C)(C[6a]C[6a]2){2|C<4>,3|C<3>,4|H<1>}	121.6310	2.294	2	121.6310	5.262	2	121.2059	4.724	10	121.0599	2.395	181	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	4:3:3:	C[4]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[4,6,6]-4:C[4]-3:C[6a]-3:	C[6a](C[4]C[4,6,6]C[4])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](C[4,6,6]C[6,6,6a]C[4,6]C[6])(C[4]C[4,6]C)(C[6a]C[6a]2)	C[6a](C[4]C[4,6,6]C[4])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[4](C[4,6,6]C[6,6,6a]C[4,6]C[6])(C[4]C[4,6]C)(C[6a]C[6a]2){1|N<3>,1|O<1>,3|H<1>,5|C<3>}	121.1250	2.015	2	121.1250	4.061	2	121.2059	4.724	10	121.0599	2.395	181	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	4:3:3:	C[4]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[4,6,6]-4:C[4]-3:C[6a]-3:	C[6a](C[4]C[4,6,6]C[4])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](C[4,6,6]C[6,6,6a]C[4,6]C[6])(C[4]C[4,6]H)(C[6a]C[6a]2)	C[6a](C[4]C[4,6,6]C[4])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[4](C[4,6,6]C[6,6,6a]C[4,6]C[6])(C[4]C[4,6]H)(C[6a]C[6a]2){1|N<3>,1|O<1>,3|H<1>,5|C<3>}	121.3495	4.478	2	121.0912	6.548	6	121.2059	4.724	10	121.0599	2.395	181	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	4:3:3:	C[4]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[4,6,6]-4:C[4]-3:C[6a]-3:	C[6a](C[4]C[4,6,6]C[4])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](C[4,6,6]C[6,6,6a]C[4,6]C[6])(C[4]C[4,6]H)(C[6a]C[6a]2)	C[6a](C[4]C[4,6,6]C[4])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[4](C[4,6,6]C[6,6,6a]C[4,6]C[6])(C[4]C[4,6]H)(C[6a]C[6a]2){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	120.8785	2.836	2	121.0912	6.548	6	121.2059	4.724	10	121.0599	2.395	181	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	4:3:3:	C[4]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[4,6,6]-4:C[4]-3:C[6a]-3:	C[6a](C[4]C[4,6,6]C[4])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](C[4,6,6]C[6,6,6a]C[4,6]C[6])(C[4]C[4,6]H)(C[6a]C[6a]2)	C[6a](C[4]C[4,6,6]C[4])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[4](C[4,6,6]C[6,6,6a]C[4,6]C[6])(C[4]C[4,6]H)(C[6a]C[6a]2){1|N<3>,1|O<1>,3|H<1>,5|C<3>}	121.0455	2.101	2	121.0912	6.548	6	121.2059	4.724	10	121.0599	2.395	181	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	4:3:3:	C[4]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[4,6]-4:C[4,5]-3:C[6a]-3:	C[6a](C[4]C[4,5]C[4,6])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](C[4,6]C[4,5,6]C[6]H)(C[4,5]C[4,5,6]N[5])(C[6a]C[6a]2)	C[6a](C[4]C[4,5]C[4,6])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[4](C[4,6]C[4,5,6]C[6]H)(C[4,5]C[4,5,6]N[5])(C[6a]C[6a]2){1|S<4>,2|C<3>,4|C<4>,4|H<1>}	117.2850	0.000	1	117.2850	0.000	1	117.2850	0.000	1	121.0599	2.395	181	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	4:3:3:	C[4]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[4,6]-4:C[4,6]-3:C[6a]-3:	C[6a](C[4]C[4,6]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](C[4,6]C[4,6,6]C[6]H)(C[4,6]C[4,6,6]N[6])(C[6a]C[6a]2)	C[6a](C[4]C[4,6]2)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[4](C[4,6]C[4,6,6]C[6]H)(C[4,6]C[4,6,6]N[6])(C[6a]C[6a]2){1|S<4>,2|C<3>,3|C<4>,5|H<1>}	120.1860	0.970	2	120.7262	0.707	4	120.7262	0.707	4	121.0599	2.395	181	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	4:3:3:	C[4]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[4,6]-4:C[4,6]-3:C[6a]-3:	C[6a](C[4]C[4,6]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](C[4,6]C[4,6,6]C[6]H)(C[4,6]C[4,6,6]N[6])(C[6a]C[6a]2)	C[6a](C[4]C[4,6]2)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[4](C[4,6]C[4,6,6]C[6]H)(C[4,6]C[4,6,6]N[6])(C[6a]C[6a]2){1|S<4>,2|C<3>,3|C<4>,5|H<1>}	121.2665	0.114	2	120.7262	0.707	4	120.7262	0.707	4	121.0599	2.395	181	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	4:3:3:	C[4]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[4,6]-4:C[4]-3:C[6a]-3:	C[6a](C[4]C[4,6]C[4])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](C[4,6]C[4,6]C[6]Cl)(C[4]C[4,6]H)(C[6a]C[6a]2)	C[6a](C[4]C[4,6]C[4])(C[6a]C[6a]C)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<2>,1|C<4>,1|H<1>,2|C<3>}	C[4](C[4,6]C[4,6]C[6]Cl)(C[4]C[4,6]H)(C[6a]C[6a]2){1|Cl<1>,1|C<2>,1|H<1>,1|O<1>,4|C<3>}	119.6095	0.534	2	119.6095	0.285	2	120.7756	0.772	14	121.0599	2.395	181	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	4:3:3:	C[4]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[4,6]-4:C[4]-3:C[6a]-3:	C[6a](C[4]C[4,6]C[4])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](C[4,6]C[4,5,6]C[6,6a]H)(C[4]C[4,5,6]C[6a])(C[6a]C[6a]2)	C[6a](C[4]C[4,6]C[4])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[4](C[4,6]C[4,5,6]C[6,6a]H)(C[4]C[4,5,6]C[6a])(C[6a]C[6a]2){2|H<1>,8|C<3>}	120.8150	0.611	2	120.8150	0.373	2	120.7756	0.772	14	121.0599	2.395	181	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	4:3:3:	C[4]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[4,6]-4:C[4]-3:C[6a]-3:	C[6a](C[4]C[4,6]C[4])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](C[4,6]C[4,5,6]C[6]C)(C[4]C[4,5,6]C)(C[6a]C[6a]2)	C[6a](C[4]C[4,6]C[4])(C[6a]C[6a]H)2{2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[4](C[4,6]C[4,5,6]C[6]C)(C[4]C[4,5,6]C)(C[6a]C[6a]2){1|N<3>,1|O<2>,3|C<3>,4|H<1>}	121.2395	0.442	6	121.2395	0.195	6	120.7756	0.772	14	121.0599	2.395	181	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	4:3:3:	C[4]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[4,6]-4:C[4]-3:C[6a]-3:	C[6a](C[4]C[4,6]C[4])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](C[4,6]C[4,6]C[6]Cl)(C[4]C[4,6]H)(C[6a]C[6a]2)	C[6a](C[4]C[4,6]C[4])(C[6a]C[6a]H)2{1|Cl<1>,1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[4](C[4,6]C[4,6]C[6]Cl)(C[4]C[4,6]H)(C[6a]C[6a]2){1|Cl<1>,1|O<1>,2|H<1>,4|C<3>}	120.3280	0.768	2	120.3280	0.590	2	120.7756	0.772	14	121.0599	2.395	181	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	4:3:3:	C[4]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[4,6]-4:C[4]-3:C[6a]-3:	C[6a](C[4]C[4,6]C[4])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](C[4,6]C[4,6]C[6]H)(C[4]C[4,6]C)(C[6a]C[6a]2)	C[6a](C[4]C[4,6]C[4])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[4](C[4,6]C[4,6]C[6]H)(C[4]C[4,6]C)(C[6a]C[6a]2){2|C<3>,2|C<4>,5|H<1>}	120.9585	1.824	2	120.9585	3.326	2	120.7756	0.772	14	121.0599	2.395	181	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	4:3:3:	C[4]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[4]-4:C[4,6]-3:C[6a]-3:	C[6a](C[4]C[4,6]C[4])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](C[4]C[4,6]C[6a]O)(C[4,6]C[4,6]C[6])(C[6a]C[6a]2)	C[6a](C[4]C[4,6]C[4])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[4](C[4]C[4,6]C[6a]O)(C[4,6]C[4,6]C[6])(C[6a]C[6a]2){1|N<3>,4|H<1>,5|C<3>}	120.5577	1.595	4	120.5577	2.545	4	120.5577	2.545	4	121.0599	2.395	181	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	4:3:3:	C[4]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	Ge[3,4]-4:C[4]-3:C[6a]-3:	C[6a](C[4]Ge[3,4]C[4])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](Ge[3,4]Ge[3,4]Ge[3]Si)(C[4]Ge[3,4]H)(C[6a]C[6a]2)	C[6a](C[4]Ge[3,4]C[4])(C[6a]C[6a]H)2{1|Ge<3>,1|Ge<4>,1|Si<4>,1|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|Ge<4>,2|C<3>,2|H<1>}	C[4](Ge[3,4]Ge[3,4]Ge[3]Si)(C[4]Ge[3,4]H)(C[6a]C[6a]2){2|Si<4>,2|C<3>,2|H<1>}	120.9155	2.102	4	120.9155	4.417	4	120.9155	4.417	4	121.0599	2.395	181	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	4:3:3:	C[4]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	Ge[4,4]-4:C[4]-3:C[6a]-3:	C[6a](C[4]Ge[4,4]C[4])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](Ge[4,4]Ge[4,4]C[4]N)(C[4]Ge[4,4]C[6a])(C[6a]C[6a]2)	C[6a](C[4]Ge[4,4]C[4])(C[6a]C[6a]H)2{1|Ge<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|Ge<4>,2|C<3>,2|H<1>}	C[4](Ge[4,4]Ge[4,4]C[4]N)(C[4]Ge[4,4]C[6a])(C[6a]C[6a]2){1|N<3>,2|H<1>,6|C<3>}	120.8440	1.326	8	120.8440	1.759	8	121.0045	2.955	14	121.0599	2.395	181	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	4:3:3:	C[4]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	Ge[4,4]-4:C[4]-3:C[6a]-3:	C[6a](C[4]Ge[4,4]C[4])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](Ge[4,4]Ge[4,4]C[6a]C[4])(C[4]Ge[4,4]C[6a])(C[6a]C[6a]2)	C[6a](C[4]Ge[4,4]C[4])(C[6a]C[6a]H)2{1|Ge<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|Ge<4>,2|C<3>,2|H<1>}	C[4](Ge[4,4]Ge[4,4]C[6a]C[4])(C[4]Ge[4,4]C[6a])(C[6a]C[6a]2){2|H<1>,9|C<3>}	121.2818	2.877	4	121.2818	8.275	4	121.0045	2.955	14	121.0599	2.395	181	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	4:3:3:	C[4]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	Ge[4,4]-4:C[4]-3:C[6a]-3:	C[6a](C[4]Ge[4,4]C[4])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](Ge[4,4]Ge[4]Si[4]2)(C[4]C[6a]Si[4])(C[6a]C[6a]2)	C[6a](C[4]Ge[4,4]C[4])(C[6a]C[6a]H)2{1|Ge<4>,2|Si<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|Ge<4>,2|C<3>,2|H<1>}	C[4](Ge[4,4]Ge[4]Si[4]2)(C[4]C[6a]Si[4])(C[6a]C[6a]2){1|Ge<4>,2|Si<4>,2|H<1>,4|C<3>,4|C<4>}	121.0920	0.867	2	121.0920	0.752	2	121.0045	2.955	14	121.0599	2.395	181	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	4:3:3:	C[4]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	Ge[4,4]-4:C[6a]-3:C[4]-3:	C[6a](C[4]Ge[4,4]C[4])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](Ge[4,4]C[4]3)(C[6a]C[6a]2)(C[4]C[4]Al)	C[6a](C[4]Ge[4,4]C[4])(C[6a]C[6a]H)2{1|Al<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|Ge<4>,2|C<3>,2|H<1>}	C[4](Ge[4,4]C[4]3)(C[6a]C[6a]2)(C[4]C[4]Al){2|H<1>,6|C<3>}	121.3569	1.631	8	121.3569	2.660	8	121.3569	2.660	8	121.0599	2.395	181	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	4:3:3:	C[4]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	Ge[4,6]-4:C[6a]-3:C[4]-3:	C[6a](C[4]Ge[4,6]C[4])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](Ge[4,6]Ge[4]Si[6]C[6])(C[6a]C[6a]2)(C[4]Ge[4]H)	C[6a](C[4]Ge[4,6]C[4])(C[6a]C[6a]H)2{1|Ge<4>,1|Si<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|Ge<4>,2|C<3>,2|H<1>}	C[4](Ge[4,6]Ge[4]Si[6]C[6])(C[6a]C[6a]2)(C[4]Ge[4]H){3|Si<4>,2|C<4>,2|H<1>,4|C<3>}	121.0455	0.086	2	121.0455	0.007	2	120.9123	0.180	4	121.0599	2.395	181	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	4:3:3:	C[4]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	Ge[4,6]-4:C[6a]-3:C[4]-3:	C[6a](C[4]Ge[4,6]C[4])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](Ge[4,6]Si[4]Si[6]C[6])(C[6a]C[6a]2)(C[4]Si[4]H)	C[6a](C[4]Ge[4,6]C[4])(C[6a]C[6a]H)2{2|Si<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|Ge<4>,2|C<3>,2|H<1>}	C[4](Ge[4,6]Si[4]Si[6]C[6])(C[6a]C[6a]2)(C[4]Si[4]H){3|Si<4>,2|C<4>,2|H<1>,4|C<3>}	120.7790	0.679	2	120.7790	0.461	2	120.9123	0.180	4	121.0599	2.395	181	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	4:3:3:	C[4]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	Ge[4]-4:C[6a]-3:C[4]-3:	C[6a](C[4]Ge[4]C[4])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](Ge[4]Si[4]Si2)(C[6a]C[6a]2)(C[4]Si[4]H)	C[6a](C[4]Ge[4]C[4])(C[6a]C[6a]H)2{3|Si<4>,1|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|Ge<4>,2|C<3>,2|H<1>}	C[4](Ge[4]Si[4]Si2)(C[6a]C[6a]2)(C[4]Si[4]H){2|Si<4>,2|C<3>,2|H<1>}	121.2420	1.455	2	121.2420	2.118	2	121.1940	0.851	4	121.0599	2.395	181	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	4:3:3:	C[4]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	Ge[4]-4:C[6a]-3:C[4]-3:	C[6a](C[4]Ge[4]C[4])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](Ge[4]Si[4]SiC)(C[6a]C[6a]2)(C[4]Si[4]H)	C[6a](C[4]Ge[4]C[4])(C[6a]C[6a]H)2{2|Si<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|Ge<4>,2|C<3>,2|H<1>}	C[4](Ge[4]Si[4]SiC)(C[6a]C[6a]2)(C[4]Si[4]H){2|Si<4>,2|C<3>,2|H<1>}	121.1460	0.653	2	121.1460	0.427	2	121.1940	0.851	4	121.0599	2.395	181	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	4:3:3:	C[4]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	P[4]-4:C[4]-3:C[6a]-3:	C[6a](C[4]C[4]P[4])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](P[4]C[6a]2B[4])(C[4]C[6a]B[4])(C[6a]C[6a]2)	C[6a](C[4]C[4]P[4])(C[6a]C[6a]H)2{1|B<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|P<4>,2|C<3>}	C[4](P[4]C[6a]2B[4])(C[4]C[6a]B[4])(C[6a]C[6a]2){10|C<3>,2|H<1>}	121.0517	1.182	4	120.9043	2.587	6	120.9043	2.587	6	121.0599	2.395	181	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	4:3:3:	C[4]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	P[4]-4:C[4]-3:C[6a]-3:	C[6a](C[4]C[4]P[4])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](P[4]C[6a]2B[4])(C[4]C[6a]B[4])(C[6a]C[6a]2)	C[6a](C[4]C[4]P[4])(C[6a]C[6a]H)2{1|B<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|P<4>,2|C<3>,2|H<1>}	C[4](P[4]C[6a]2B[4])(C[4]C[6a]B[4])(C[6a]C[6a]2){10|C<3>,2|H<1>}	120.6095	2.913	2	120.9043	2.587	6	120.9043	2.587	6	121.0599	2.395	181	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	4:3:3:	C[4]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	P[4]-4:C[6a]-3:C[4]-3:	C[6a](C[4]C[4]P[4])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](P[4]C[6a]2B[4])(C[6a]C[6a]2)(C[4]B[4]C)	C[6a](C[4]C[4]P[4])(C[6a]C[6a]H)2{1|B<4>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|P<4>,2|C<3>}	C[4](P[4]C[6a]2B[4])(C[6a]C[6a]2)(C[4]B[4]C){2|H<1>,8|C<3>}	121.5145	1.892	2	121.1855	0.843	6	121.1855	0.843	6	121.0599	2.395	181	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	4:3:3:	C[4]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	P[4]-4:C[6a]-3:C[4]-3:	C[6a](C[4]C[4]P[4])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](P[4]C[6a]2B[4])(C[6a]C[6a]2)(C[4]B[4]C)	C[6a](C[4]C[4]P[4])(C[6a]C[6a]H)2{1|B<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|P<4>,2|C<3>}	C[4](P[4]C[6a]2B[4])(C[6a]C[6a]2)(C[4]B[4]C){2|H<1>,8|C<3>}	121.0210	0.322	4	121.1855	0.843	6	121.1855	0.843	6	121.0599	2.395	181	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	4:3:3:	C[4]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	Si[4,5]-4:C[4]-3:C[6a]-3:	C[6a](C[4]Si[4,5]C[4])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](Si[4,5]C[5,6a]Si[4,5]N)(C[4]Si[4,5]C[6a])(C[6a]C[6a]2)	C[6a](C[4]Si[4,5]C[4])(C[6a]C[6a]H)2{1|Si<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|Si<4>,2|C<3>,2|H<1>}	C[4](Si[4,5]C[5,6a]Si[4,5]N)(C[4]Si[4,5]C[6a])(C[6a]C[6a]2){1|N<3>,2|H<1>,7|C<3>}	120.8495	1.455	4	120.8495	2.118	4	121.0023	1.346	6	121.0599	2.395	181	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	4:3:3:	C[4]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	Si[4,5]-4:C[4]-3:C[6a]-3:	C[6a](C[4]Si[4,5]C[4])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](Si[4,5]C[5]2O[4])(C[4]C[6a]O[4])(C[6a]C[6a]2)	C[6a](C[4]Si[4,5]C[4])(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|Si<4>,2|C<3>,2|H<1>}	C[4](Si[4,5]C[5]2O[4])(C[4]C[6a]O[4])(C[6a]C[6a]2){4|Si<4>,2|C<4>,2|H<1>,4|C<3>}	121.3080	0.310	2	121.3080	0.096	2	121.0023	1.346	6	121.0599	2.395	181	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	4:3:3:	C[4]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	Si[4]-4:C[6a]-3:C[4]-3:	C[6a](C[4]Si[4]C[4])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](Si[4]C[4]CC)(C[6a]C[6a]2)(C[4]C[4]H)	C[6a](C[4]Si[4]C[4])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|Si<4>,2|C<3>,2|H<1>}	C[4](Si[4]C[4]CC)(C[6a]C[6a]2)(C[4]C[4]H){2|H<1>,3|C<3>}	121.5690	1.626	2	121.5690	2.645	2	121.5690	2.645	2	121.0599	2.395	181	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[4]-4:C[4]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[4]C[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](C[4]C[4]C[6]Ni)(C[4]C[6a]C[4])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[4]C[4]2){1|Ni<5>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[4](C[4]C[4]C[6]Ni)(C[4]C[6a]C[4])(C[6a]C[6a]2){2|C<4>,2|H<1>,6|C<3>}	120.6535	0.728	4	120.6535	0.530	4	120.8594	0.521	8	121.0599	2.395	181	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[4]-4:C[4]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[4]C[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](C[4]C[6a]C[4]C)(C[4]C[6a]C[4])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[4]C[4]2){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[4](C[4]C[6a]C[4]C)(C[4]C[6a]C[4])(C[6a]C[6a]2){1|Ni<5>,1|C<4>,2|H<1>,6|C<3>}	121.0653	0.757	4	121.0653	0.573	4	120.8594	0.521	8	121.0599	2.395	181	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	5:3:3:	C[4]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	Ge[3,3,4]-5:C[4]-3:C[6a]-3:	C[6a](C[4]Ge[3,3,4]C[4])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](Ge[3,3,4]Ge[3,3,4]B[3,3]N[3]2)(C[4]Ge[3,3,4]C[6a])(C[6a]C[6a]2)	C[6a](C[4]Ge[3,3,4]C[4])(C[6a]C[6a]H)2{1|Ge<5>,1|B<4>,2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|Ge<5>,2|C<3>,2|H<1>}	C[4](Ge[3,3,4]Ge[3,3,4]B[3,3]N[3]2)(C[4]Ge[3,3,4]C[6a])(C[6a]C[6a]2){1|B<4>,2|H<1>,3|N<3>,6|C<3>}	120.7085	0.344	4	120.7085	0.118	4	120.7085	0.118	4	120.8757	0.520	6	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:1:	5:3:3:	C[4]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	Si[4,4]-5:C[4]-3:C[6a]-3:	C[6a](C[4]Si[4,4]C[4])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H)	C[4](Si[4,4]Si[4]N[4]2Cl)(C[4]C[6a]Si[4])(C[6a]C[6a]2)	C[6a](C[4]Si[4,4]C[4])(C[6a]C[6a]H)2{1|Cl<1>,1|Si<4>,2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(H){1|Si<5>,2|C<3>,2|H<1>}	C[4](Si[4,4]Si[4]N[4]2Cl)(C[4]C[6a]Si[4])(C[6a]C[6a]2){1|Cl<1>,1|N<3>,2|C<4>,2|H<1>,5|C<3>}	121.2100	1.382	2	121.2100	1.909	2	121.2100	1.909	2	120.8757	0.520	6	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[4]-3:C[4]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[4]C[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(OH)	C[4](C[6a]C[6a]2)(C[4]C[4]C)(C[4]C[4]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[4]C[4]2){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(OH){1|H<1>,1|N<3>,3|C<3>}	C[4](C[6a]C[6a]2)(C[4]C[4]C)(C[4]C[4]O){1|H<1>,1|O<2>,3|C<3>}	122.5060	0.000	1	122.5060	0.000	1	122.5060	0.000	1	122.5060	0.000	1	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:2:	3:4:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[4]-4:C[4]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[4]C[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]O)(OC)	C[4](C[6a]C[6a]2)(C[4]C[4]HH)(C[4]C[4]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[4]C[4]2){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]O)(OC){1|C<4>,2|C<3>,2|H<1>}	C[4](C[6a]C[6a]2)(C[4]C[4]HH)(C[4]C[4]H){1|O<2>,2|C<3>,3|H<1>}	123.0040	0.000	1	123.0040	0.000	1	123.0040	0.000	1	123.0040	0.000	1	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:2:	4:3:3:	C[4]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-2:	C[4,6]-4:C[4]-3:C[6a]-3:	C[6a](C[4]C[4,6]C[4])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(CC)	C[4](C[4,6]C[4,6]C[6]Cl)(C[4]C[4,6]H)(C[6a]C[6a]2)	C[6a](C[4]C[4,6]C[4])(C[6a]C[6a]C)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(CC){1|C<4>,2|C<3>,2|H<1>}	C[4](C[4,6]C[4,6]C[6]Cl)(C[4]C[4,6]H)(C[6a]C[6a]2){1|Cl<1>,1|C<2>,1|H<1>,1|O<1>,4|C<3>}	121.3555	0.511	2	121.3555	0.261	2	121.3555	0.261	2	121.3555	0.261	2	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:3:	4:3:3:	C[4]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[4,6]-4:C[4]-3:C[6a]-3:	C[6a](C[4]C[4,6]C[4])(C[6a]C[6a]Cl)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(NOO)	C[4](C[4,6]C[4,6]C[6]H)(C[4]C[4,6]H)(C[6a]C[6a]2)	C[6a](C[4]C[4,6]C[4])(C[6a]C[6a]Cl)(C[6a]C[6a]N){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(NOO){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	C[4](C[4,6]C[4,6]C[6]H)(C[4]C[4,6]H)(C[6a]C[6a]2){1|Cl<1>,1|C<4>,1|N<3>,2|H<1>,3|C<3>}	121.9990	0.000	1	121.9990	0.000	1	121.9990	0.000	1	121.9990	0.000	1	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:4:	3:3:2:	C[4]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[4]-3:O[4]-2:	C[6a](C[4]C[4]O[4])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(CH3)	C[4](C[6a]C[6a]2)(C[4]C[4]C)(O[4]C[4])	C[6a](C[4]C[4]O[4])(C[6a]C[6a]C)2{1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(CH3){1|O<2>,2|C<3>,2|C<4>}	C[4](C[6a]C[6a]2)(C[4]C[4]C)(O[4]C[4]){3|C<3>,3|C<4>}	119.6480	0.021	2	119.6480	0.000	2	119.6480	0.000	2	119.5577	1.232	6	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:4:	3:3:2:	C[4]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	N[4]-3:C[6a]-3:O[4]-2:	C[6a](C[4]N[4]O[4])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(CH3)	C[4](N[4]C[6a]Nb[4])(C[6a]C[6a]2)(O[4]Nb[4])	C[6a](C[4]N[4]O[4])(C[6a]C[6a]C)2{1|Nb<6>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(CH3){1|C<3>,1|N<3>,1|O<2>,2|C<4>}	C[4](N[4]C[6a]Nb[4])(C[6a]C[6a]2)(O[4]Nb[4]){1|O<2>,2|C<4>,3|N<3>,4|C<3>}	119.5125	1.430	4	119.5125	2.045	4	119.5125	2.045	4	119.5577	1.232	6	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:C-4:	C[4]-3:C[4]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)2(C[4]C[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(CH3)	C[4](C[4]C[6a]C[4])(C[4]C[4]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(C[4]C[4]2){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	C[4](C[4]C[6a]C[4])(C[4]C[4]C[5])(C[6a]C[6a]2){2|C<4>,7|C<3>}	120.1863	0.482	4	120.1863	0.232	4	120.1863	0.232	4	120.3413	2.993	12	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[4]-3:N[4]-3:	C[6a](C[6a]C[6a]C)2(C[4]N[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(CH3)	C[4](C[6a]C[6a]2)(N[4]B[4]C)2	C[6a](C[6a]C[6a]C)2(C[4]N[4]2){1|B<3>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>,2|N<3>}	C[4](C[6a]C[6a]2)(N[4]B[4]C)2{1|N<3>,2|C<3>,2|C<4>}	118.7780	0.591	2	118.7780	0.349	2	118.7780	0.349	2	120.3413	2.993	12	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:C-4:	N[4]-3:N[4]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)2(C[4]N[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(CH3)	C[4](N[4]B[4]C[6])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(C[4]N[4]2){1|B<3>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>,2|N<3>}	C[4](N[4]B[4]C[6])2(C[6a]C[6a]2){1|N<3>,2|C<3>,2|H<1>,6|C<4>}	119.0990	0.501	2	119.0990	0.251	2	119.0990	0.251	2	120.3413	2.993	12	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:C-4:	P[4]-3:P[4]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)2(C[4]P[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(CC3)	C[4](P[4]C[6a]C[4])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(C[4]P[4]2){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(CC3){1|C<3>,2|C<4>,2|P<3>}	C[4](P[4]C[6a]C[4])2(C[6a]C[6a]2){2|C<4>,7|C<3>}	120.6010	2.645	2	120.6010	6.994	2	120.6010	6.994	2	120.3413	2.993	12	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:Si-4:	C[4]-3:C[6a]-3:C[4]-3:	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(C[4]C[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(SiC[6a]2C)	C[4](C[4]C[6a]C[4])(C[6a]C[6a]2)(C[4]C[4]C)	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(C[4]C[4]2){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(SiC[6a]2C){2|H<1>,3|C<3>}	C[4](C[4]C[6a]C[4])(C[6a]C[6a]2)(C[4]C[4]C){1|Si<4>,3|H<1>,4|C<3>}	123.1970	0.341	2	123.1970	0.116	2	123.1970	0.116	2	120.3413	2.993	12	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:Si-4:	C[4]-3:C[6a]-3:C[4]-4:	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(C[4]C[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(SiC[6a]2C)	C[4](C[4]C[6a]C[4])(C[6a]C[6a]2)(C[4]C[4]HH)	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(C[4]C[4]2){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(SiC[6a]2C){1|C<4>,2|C<3>,2|H<1>}	C[4](C[4]C[6a]C[4])(C[6a]C[6a]2)(C[4]C[4]HH){1|Si<4>,1|H<1>,5|C<3>}	123.3010	0.102	2	123.3010	0.010	2	123.3010	0.010	2	123.3010	0.010	2	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:4:	3:4:3:	C[4]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[4,5]-3:C[4]-4:C[6a]-3:	C[6a](C[4]C[4,5]C[4])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(CH3)	C[4](C[4,5]C[4,5]C[5])(C[4]C[4,5]CO)(C[6a]C[6a]2)	C[6a](C[4]C[4,5]C[4])(C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(CH3){1|H<1>,2|C<3>,2|C<4>}	C[4](C[4,5]C[4,5]C[5])(C[4]C[4,5]CO)(C[6a]C[6a]2){2|C<4>,3|C<3>,3|H<1>}	123.3030	0.000	1	123.3030	0.000	1	123.3030	0.000	1	121.9707	4.069	6	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:4:	3:4:3:	C[4]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[4,6]-3:P[4]-4:C[6a]-3:	C[6a](C[4]C[4,6]P[4])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(CH3)	C[4](C[4,6]C[6,6a]B[4,6])(P[4]B[4,6]C[6a]2)(C[6a]C[6a]2)	C[6a](C[4]C[4,6]P[4])(C[6a]C[6a]C)2{1|B<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(CH3){1|P<4>,2|C<3>,2|C<4>}	C[4](C[4,6]C[6,6a]B[4,6])(P[4]B[4,6]C[6a]2)(C[6a]C[6a]2){10|C<3>,2|C<4>}	119.9255	2.109	2	119.9255	4.449	2	119.9255	4.449	2	121.9707	4.069	6	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:4:	3:4:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[4]-4:C[4]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[4]C[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(CHHN)	C[4](C[6a]C[6a]2)(C[4]C[4]HH)(C[4]C[4]C)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[4]C[4]2){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(CHHN){1|C<4>,2|C<3>,2|H<1>}	C[4](C[6a]C[6a]2)(C[4]C[4]HH)(C[4]C[4]C){1|C<4>,2|C<3>,3|H<1>}	122.1630	0.215	2	122.1630	0.046	2	122.8900	1.609	3	121.9707	4.069	6	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:4:	3:4:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[4]-4:C[4]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[4]C[4]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(CHHO)	C[4](C[6a]C[6a]2)(C[4]C[4]CH)(C[4]C[4]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[4]C[4]2){1|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(CHHO){1|C<4>,2|C<3>,2|H<1>}	C[4](C[6a]C[6a]2)(C[4]C[4]CH)(C[4]C[4]H){1|H<1>,2|C<3>,3|C<4>}	124.3440	0.000	1	124.3440	0.000	1	122.8900	1.609	3	121.9707	4.069	6	120.4664	2.224	868	120.4709	2.239	869
643	643	846	0:SP2_SP2_SP2	C[6a]	C[6a]	C[4]	3:3:3:	3:3:4:	4:3:3:	C[4]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[4,6]-4:C[4,5]-3:C[6a]-3:	C[6a](C[4]C[4,5]C[4,6])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(CH3)	C[4](C[4,6]C[4,5,6]C[6]H)(C[4,5]C[4,5,6]N[5])(C[6a]C[6a]2)	C[6a](C[4]C[4,5]C[4,6])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(CH3){1|C<4>,2|C<3>,2|H<1>}	C[4](C[4,6]C[4,5,6]C[6]H)(C[4,5]C[4,5,6]N[5])(C[6a]C[6a]2){1|S<4>,2|C<3>,4|C<4>,4|H<1>}	124.3910	0.000	1	124.3910	0.000	1	124.3910	0.000	1	124.3910	0.000	1	120.4664	2.224	868	120.4709	2.239	869
643	643	846	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[4,6]	3:3:3:	3:3:3:	4:3:3:	C[4,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	B[4,6]-4:C[6,6a]-3:C[4]-3:	C[6,6a](C[4,6]B[4,6]C[4])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]Si)	C[4,6](B[4,6]C[6a]C[6]P[4])(C[6,6a]C[6,6a]C[6a])(C[4]C[6a]P[4])	C[6,6a](C[4,6]B[4,6]C[4])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Si<4>,1|P<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]Si){1|B<4>,2|H<1>,3|C<3>}	C[4,6](B[4,6]C[6a]C[6]P[4])(C[6,6a]C[6,6a]C[6a])(C[4]C[6a]P[4]){10|C<3>,1|H<1>}	114.7150	0.000	1	114.7150	0.000	1	114.7150	0.000	1	114.7150	0.000	1	114.7150	0.000	1	114.7150	0.000	1
643	643	847	0:SP2_SP2_SPD5	C[6a]	C[6a]	Si	3:3:5:	3:3:1:	3:3:1:1:1:	C[6a]-3:C[6a]-3:Si-5:	C[6a]-3:C[6a]-3:H-1:	N[6]-3:C[6a]-3:Cl-1:Cl-1:Cl-1:	C[6a](C[6a]C[6a]H)2(SiN[6]Cl3)	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(H)	Si(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(Cl)3	C[6a](C[6a]C[6a]H)2(SiN[6]Cl3){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	Si(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(Cl)3	121.8370	3.635	2	121.8370	13.210	2	121.8370	13.210	2	121.8370	13.210	2	121.8518	1.096	24	121.8518	1.096	24
643	643	847	0:SP2_SP2_SPD5	C[6a]	C[6a]	Si	3:3:5:	3:3:1:	3:3:3:1:1:	C[6a]-3:C[6a]-3:Si-5:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:F-1:F-1:	C[6a](C[6a]C[6a]H)2(SiC[6a]2FF)	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(H)	Si(C[6a]C[6a]2)3(F)2	C[6a](C[6a]C[6a]H)2(SiC[6a]2FF){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	Si(C[6a]C[6a]2)3(F)2	121.9633	0.748	6	121.9633	0.559	6	121.9633	0.559	6	121.8532	0.571	22	121.8518	1.096	24	121.8518	1.096	24
643	643	847	0:SP2_SP2_SPD5	C[6a]	C[6a]	Si	3:3:5:	3:3:1:	3:3:3:1:1:	C[6a]-3:C[6a]-3:Si-5:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(SiC[6a]2HH)	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(H)	Si(C[6a]C[6a]2)3(H)2	C[6a](C[6a]C[6a]H)2(SiC[6a]2HH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	Si(C[6a]C[6a]2)3(H)2	121.8119	0.779	16	121.8119	0.607	16	121.8119	0.607	16	121.8532	0.571	22	121.8518	1.096	24	121.8518	1.096	24
643	643	849	0:SP2_SP2_SP3	C[6,6,6a]	C[6a]	P[3x6]	3:4:3:	3:3:1:	3:3:3:1:	C[6,6,6a]-3:P[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:Se-1:	C[6,6,6a](C[6,6,6a]B[3x6]C[6a])(P[3x6]C[6,6,6a]2Se)(C[6a]C[6a]H)	C[6a](C[6,6,6a]C[6,6,6a]P[3x6])(C[6a]C[6a]H)(H)	P[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(Se)	C[6,6,6a](C[6,6,6a]B[3x6]C[6a])(P[3x6]C[6,6,6a]2Se)(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]P[3x6])(C[6a]C[6a]H)(H){1|Se<1>,1|B<4>,1|H<1>,3|C<3>}	P[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(Se){1|B<4>,3|H<1>,6|C<3>}	122.6327	0.766	6	122.6327	0.587	6	122.6327	0.587	6	123.1163	1.256	8	123.9077	6.736	9	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6,6,6a]	C[6a]	P[3x6]	3:4:3:	3:3:1:	3:3:3:1:	C[6,6,6a]-3:P[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a]-3:C[6,6]-3:C[6,6]-3:Se-1:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(P[3x6]C[6,6]2Se)(C[6a]C[6a]H)	C[6a](C[6,6,6a]C[6,6,6a]P[3x6])(C[6a]C[6a]H)(H)	P[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C[6a])2(Se)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(P[3x6]C[6,6]2Se)(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]P[3x6])(C[6a]C[6a]H)(H){1|Se<1>,1|C<4>,1|H<1>,3|C<3>}	P[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C[6a])2(Se){1|C<4>,3|H<1>,6|C<3>}	124.5670	0.498	2	124.5670	0.248	2	124.5670	0.248	2	123.1163	1.256	8	123.9077	6.736	9	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6,6,6a]	C[6a]	P[3x6]	3:4:3:	3:3:1:	3:3:3:4:	C[6,6,6a]-3:P[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:C-4:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(P[3x6]C[6,6,6a]2C)(C[6a]C[6a]H)	C[6a](C[6,6,6a]C[6,6,6a]P[3x6])(C[6a]C[6a]H)(H)	P[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(CC[6a]3)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(P[3x6]C[6,6,6a]2C)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]P[3x6])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	P[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(CC[6a]3){1|C<4>,3|H<1>,6|C<3>}	130.2390	0.000	1	130.2390	0.000	1	130.2390	0.000	1	130.2390	0.000	1	123.9077	6.736	9	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6,6a]	C[6a]	P[3x6]	4:3:3:	3:3:1:	3:3:3:5:	P[3x6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6,6a]-3:Nb[3x6]-5:	C[6,6a](P[3x6]C[6,6a]2Nb[3x6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]P[3x6])(C[6a]C[6a]H)(H)	P[3x6](C[6,6a]C[6,6a]C[6a])3(Nb[3x6]N[6]3N)	C[6,6a](P[3x6]C[6,6a]2Nb[3x6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<2>,3|N<3>,4|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]P[3x6])(C[6a]C[6a]H)(H){1|Nb<5>,1|C<4>,1|H<1>,3|C<3>}	P[3x6](C[6,6a]C[6,6a]C[6a])3(Nb[3x6]N[6]3N){3|C<4>,3|H<1>,9|C<3>}	123.9070	0.671	3	123.9070	0.450	3	123.9070	0.450	3	123.9070	0.450	3	123.6547	0.736	6	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6,6a]	C[6a]	P[3x6]	4:3:3:	3:3:1:	3:3:3:6:	P[3x6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6,6a]-3:Nb[3x6]-6:	C[6,6a](P[3x6]C[6,6a]2Nb[3x6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]P[3x6])(C[6a]C[6a]H)(H)	P[3x6](C[6,6a]C[6,6a]C[6a])3(Nb[3x6]N[6]4N)	C[6,6a](P[3x6]C[6,6a]2Nb[3x6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<2>,4|H<1>,4|N<3>,5|C<3>}	C[6a](C[6,6a]C[6,6a]P[3x6])(C[6a]C[6a]H)(H){1|Nb<6>,1|C<4>,1|H<1>,3|C<3>}	P[3x6](C[6,6a]C[6,6a]C[6a])3(Nb[3x6]N[6]4N){11|C<3>,3|C<4>,3|H<1>}	123.4023	1.096	3	123.4023	1.200	3	123.4023	1.200	3	123.4023	1.200	3	123.6547	0.736	6	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6,6a]	C[6a]	P[6,6]	3:4:3:	3:3:1:	3:2:2:1:	C[6,6a,6a]-3:P[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:S[6,6]-2:N[6]-2:S-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(P[6,6]S[6,6]N[6]S)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a,6a]P[6,6])(C[6a]C[6a]H)(H)	P[6,6](C[6,6a]C[6,6a,6a]C[6a])(S[6,6]P[6,6])(N[6]C[6])(S)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(P[6,6]S[6,6]N[6]S)(C[6a]C[6a]H){1|H<1>,1|P<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a,6a]P[6,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|S<1>,1|S<2>,2|C<3>}	P[6,6](C[6,6a]C[6,6a,6a]C[6a])(S[6,6]P[6,6])(N[6]C[6])(S){1|C<4>,1|H<1>,1|N<3>,1|S<1>,3|C<3>}	117.4230	0.000	1	117.4230	0.000	1	117.4230	0.000	1	117.4230	0.000	1	120.9124	14.848	10	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6,6a]	C[6a]	P[6,6]	3:4:3:	3:3:1:	3:2:3:1:	C[6,6a,6a]-3:P[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:S[6,6]-2:N[6]-3:S-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(P[6,6]S[6,6]N[6]S)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a,6a]P[6,6])(C[6a]C[6a]H)(H)	P[6,6](C[6,6a]C[6,6a,6a]C[6a])(S[6,6]P[6,6])(N[6]C[6]C)(S)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(P[6,6]S[6,6]N[6]S)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|P<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a,6a]P[6,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|S<1>,1|S<2>,2|C<3>}	P[6,6](C[6,6a]C[6,6a,6a]C[6a])(S[6,6]P[6,6])(N[6]C[6]C)(S){1|C<4>,1|H<1>,1|N<2>,1|S<1>,3|C<3>}	113.4050	0.000	1	113.4050	0.000	1	113.4050	0.000	1	113.4050	0.000	1	120.9124	14.848	10	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6,6a]	C[6a]	P[6,6]	3:4:3:	3:3:1:	3:3:3:1:	C[6,6a,6a]-3:P[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6,6,6a]-3:O-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(P[6,6]C[6,6,6a]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a,6a]P[6,6])(C[6a]C[6a]H)(H)	P[6,6](C[6,6a]C[6,6a,6a]C[6a])2(C[6,6,6a]C[6,6a]2)(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(P[6,6]C[6,6,6a]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,7|C<3>}	C[6a](C[6,6a]C[6,6a,6a]P[6,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,4|C<3>}	P[6,6](C[6,6a]C[6,6a,6a]C[6a])2(C[6,6,6a]C[6,6a]2)(O){2|H<1>,8|C<3>}	121.7485	2.592	2	121.7485	6.716	2	121.7485	6.716	2	121.7345	8.511	6	120.9124	14.848	10	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6,6a]	C[6a]	P[6,6]	3:4:3:	3:3:1:	3:3:3:1:	C[6,6a,6a]-3:P[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6,6,6a]-3:S-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(P[6,6]C[6,6,6a]C[6,6a]S)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a,6a]P[6,6])(C[6a]C[6a]H)(H)	P[6,6](C[6,6a]C[6,6a,6a]C[6a])2(C[6,6,6a]C[6,6a]2)(S)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(P[6,6]C[6,6,6a]C[6,6a]S)(C[6a]C[6a]H){1|H<1>,7|C<3>}	C[6a](C[6,6a]C[6,6a,6a]P[6,6])(C[6a]C[6a]H)(H){1|H<1>,1|S<1>,4|C<3>}	P[6,6](C[6,6a]C[6,6a,6a]C[6a])2(C[6,6,6a]C[6,6a]2)(S){2|H<1>,8|C<3>}	121.7275	3.456	4	121.7275	11.945	4	121.7275	11.945	4	121.7345	8.511	6	120.9124	14.848	10	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6,6a]	C[6a]	P[6,6]	4:3:3:	3:3:1:	3:3:3:1:	P[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6,6,6a]-3:O-1:	C[6,6a](P[6,6]C[6,6,6a]C[6,6a]O)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]P[6,6])(C[6a]C[6a]C)(H)	P[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6,6a]C[6,6a]2)(O)	C[6,6a](P[6,6]C[6,6,6a]C[6,6a]O)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]P[6,6])(C[6a]C[6a]C)(H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	P[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6,6a]C[6,6a]2)(O){2|H<1>,2|O<2>,6|C<3>}	123.9445	0.310	2	123.9445	0.096	2	123.9445	0.096	2	123.9445	0.096	2	120.9124	14.848	10	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6,6a]	C[6a]	P[6]	3:3:4:	3:3:1:	3:2:1:1:	C[6,6a,6a]-3:C[6a]-3:P[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:S[6]-2:S-1:S-1:	C[6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a])(C[6a]C[6a]H)(P[6]S[6]SS)	C[6a](C[6,6a]C[6,6a,6a]P[6])(C[6a]C[5,6a]H)(H)	P[6](C[6,6a]C[6,6a,6a]C[6a])(S[6]P[6])(S)2	C[6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a])(C[6a]C[6a]H)(P[6]S[6]SS){1|H<1>,1|P<4>,3|C<3>}	C[6a](C[6,6a]C[6,6a,6a]P[6])(C[6a]C[5,6a]H)(H){1|C<4>,1|S<2>,2|C<3>,2|S<1>}	P[6](C[6,6a]C[6,6a,6a]C[6a])(S[6]P[6])(S)2{1|H<1>,2|C<4>,3|C<3>}	116.8080	1.481	2	116.8080	2.192	2	116.8080	2.192	2	116.8080	2.192	2	118.4013	5.553	94	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6,6a]	C[6a]	P[6]	3:3:4:	3:3:1:	3:2:2:1:	C[6,6a]-3:C[6a]-3:P[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:O[6]-2:O-2:O-1:	C[6,6a](C[6,6a]C[5,6a]C[6,6a])(C[6a]C[6a]H)(P[6]O[6]OO)	C[6a](C[6,6a]C[6,6a]P[6])(C[6a]C[5,6a]C)(H)	P[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(OC)(O)	C[6,6a](C[6,6a]C[5,6a]C[6,6a])(C[6a]C[6a]H)(P[6]O[6]OO){1|C<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a]P[6])(C[6a]C[5,6a]C)(H){1|C<4>,1|O<1>,2|C<3>,2|O<2>}	P[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(OC)(O){1|H<1>,4|C<3>}	118.0640	0.000	1	118.0640	0.000	1	120.7177	3.464	4	120.9722	2.922	5	118.4013	5.553	94	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6,6a]	C[6a]	P[6]	3:3:4:	3:3:1:	3:2:2:1:	C[6,6a]-3:C[6a]-3:P[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:O[6]-2:O-2:O-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(P[6]O[6]OO)	C[6a](C[6,6a]C[6,6a]P[6])(C[6a]C[6a]H)(H)	P[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(OBi)(O)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(P[6]O[6]OO){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]P[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,2|C<3>,2|O<2>}	P[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(OBi)(O){1|H<1>,4|C<3>}	122.0720	0.000	1	122.0720	0.000	1	120.7177	3.464	4	120.9722	2.922	5	118.4013	5.553	94	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6,6a]	C[6a]	P[6]	3:3:4:	3:3:1:	3:2:2:1:	C[6,6a]-3:C[6a]-3:P[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:O[6]-2:O-2:O-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(P[6]O[6]OO)	C[6a](C[6,6a]C[6,6a]P[6])(C[6a]C[6a]H)(H)	P[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(OC[6a])(O)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(P[6]O[6]OO){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]P[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,2|C<3>,2|O<2>}	P[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(OC[6a])(O){1|H<1>,4|C<3>}	120.7880	0.000	1	120.7880	0.000	1	120.7177	3.464	4	120.9722	2.922	5	118.4013	5.553	94	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6,6a]	C[6a]	P[6]	3:3:4:	3:3:1:	3:2:2:1:	C[6,6a]-3:C[6a]-3:P[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:O[6]-2:O-2:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(P[6]O[6]OO)	C[6a](C[6,6a]C[6,6a]P[6])(C[6a]C[6a]O)(H)	P[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(OC)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(P[6]O[6]OO){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]P[6])(C[6a]C[6a]O)(H){1|H<1>,1|O<1>,2|C<3>,2|O<2>}	P[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(OC)(O){1|H<1>,4|C<3>}	121.9470	0.000	1	121.9470	0.000	1	120.7177	3.464	4	120.9722	2.922	5	118.4013	5.553	94	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6,6a]	C[6a]	P[6]	3:3:4:	3:3:1:	3:2:2:1:	C[6,6a]-3:C[6a]-3:P[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:O[6]-2:S-2:O-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(P[6]O[6]OS)	C[6a](C[6,6a]C[6,6a]P[6])(C[6a]C[6a]H)(H)	P[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(SC[6a])(O)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(P[6]O[6]OS){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]P[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,1|O<2>,1|S<2>,2|C<3>}	P[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(SC[6a])(O){1|H<1>,4|C<3>}	121.9900	0.000	1	121.9900	0.000	1	121.9900	0.000	1	120.9722	2.922	5	118.4013	5.553	94	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6,6a]	C[6a]	P[6]	3:3:4:	3:3:1:	3:2:3:1:	C[6,6,6a]-3:C[6a]-3:P[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:S[6]-2:N-3:S-1:	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(P[6]S[6]NS)	C[6a](C[6,6a]C[6,6,6a]P[6])(C[6a]C[6a]H)(H)	P[6](C[6,6a]C[6,6,6a]C[6a])(S[6]P[6])(NSiC)(S)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(P[6]S[6]NS){1|C<2>,1|H<1>,1|P<4>,2|C<3>}	C[6a](C[6,6a]C[6,6,6a]P[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|S<1>,1|S<2>,2|C<3>}	P[6](C[6,6a]C[6,6,6a]C[6a])(S[6]P[6])(NSiC)(S){1|H<1>,1|S<1>,1|S<2>,3|C<3>}	112.5360	0.000	1	112.5360	0.000	1	112.5360	0.000	1	112.5360	0.000	1	118.4013	5.553	94	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6,6a]	C[6a]	P[6]	3:3:4:	3:3:1:	3:2:4:4:	C[6,6a,6a]-3:C[6a]-3:P[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:S[6]-2:C-4:C-4:	C[6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a])(C[6a]C[6a]H)(P[6]S[6]CC)	C[6a](C[6,6a]C[6,6a,6a]P[6])(C[6a]C[5,6a]H)(H)	P[6](C[6,6a]C[6,6a,6a]C[6a])(S[6]P[6])(CCCH)2	C[6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a])(C[6a]C[6a]H)(P[6]S[6]CC){1|H<1>,1|P<4>,3|C<3>}	C[6a](C[6,6a]C[6,6a,6a]P[6])(C[6a]C[5,6a]H)(H){1|S<2>,2|C<3>,3|C<4>}	P[6](C[6,6a]C[6,6a,6a]C[6a])(S[6]P[6])(CCCH)2{1|H<1>,2|S<1>,3|C<3>}	114.7435	1.487	2	114.7435	2.211	2	114.7435	2.211	2	115.7793	4.325	3	118.4013	5.553	94	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6,6a]	C[6a]	P[6]	3:3:4:	3:3:1:	3:2:4:4:	C[6,6a]-3:C[6a]-3:P[6]-4:	C[6,6a]-3:C[6a]-3:F-1:	C[6,6a]-3:N[6]-2:C-4:C-4:	C[6,6a](C[6,6a]C[6a]B[6])(C[6a]C[6a]F)(P[6]N[6]CC)	C[6a](C[6,6a]C[6,6a]P[6])(C[6a]C[6a]F)(F)	P[6](C[6,6a]C[6,6a]C[6a])(N[6]P[6])(CCCH)2	C[6,6a](C[6,6a]C[6a]B[6])(C[6a]C[6a]F)(P[6]N[6]CC){1|P<4>,2|F<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]P[6])(C[6a]C[6a]F)(F){1|B<4>,1|C<3>,1|F<1>,1|N<2>,2|C<4>}	P[6](C[6,6a]C[6,6a]C[6a])(N[6]P[6])(CCCH)2{1|B<4>,1|F<1>,2|C<3>,2|C<4>}	117.8510	0.000	1	117.8510	0.000	1	117.8510	0.000	1	115.7793	4.325	3	118.4013	5.553	94	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6,6a]	C[6a]	P[6]	3:3:4:	3:3:1:	3:3:2:1:	C[6,6a]-3:C[6a]-3:P[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-2:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(P[6]N[6]OO)	C[6a](C[6,6a]C[6,6a]P[6])(C[6a]C[6a]Cl)(H)	P[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(OC)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(P[6]N[6]OO){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]P[6])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	P[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(OC)(O){1|H<1>,4|C<3>}	120.8810	0.000	1	120.8810	0.000	1	120.8810	0.000	1	120.8810	0.000	1	118.4013	5.553	94	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6,6a]	C[6a]	P[6]	3:3:4:	3:3:1:	3:3:4:4:	C[6,6a]-3:C[6a]-3:P[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:C-4:C-4:	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(P[6]N[6]CC)	C[6a](C[6,6a]C[6,6a]P[6])(C[6a]C[6a]C)(H)	P[6](C[6,6a]C[6,6a]C[6a])(N[6]Nb[5,6]C[6a])(CCCH)2	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(P[6]N[6]CC){1|Nb<6>,1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]P[6])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,2|C<4>,2|N<3>}	P[6](C[6,6a]C[6,6a]C[6a])(N[6]Nb[5,6]C[6a])(CCCH)2{2|Cl<1>,1|H<1>,1|N<2>,1|N<3>,1|P<4>,4|C<3>}	116.2815	0.701	2	116.2815	0.491	2	116.2815	0.491	2	116.2815	0.491	2	118.4013	5.553	94	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6,6a]	C[6a]	P[6]	3:3:4:	3:3:1:	3:4:4:1:	C[6,6a,6a]-3:C[6a]-3:P[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:B[6]-4:B-4:H-1:	C[6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a])(C[6a]C[6a]H)(P[6]B[6]BH)	C[6a](C[6,6a]C[6,6a,6a]P[6])(C[6a]C[5,6a]H)(H)	P[6](C[6,6a]C[6,6a,6a]C[6a])(B[6]P[6]HH)(BH3)(H)	C[6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a])(C[6a]C[6a]H)(P[6]B[6]BH){1|P<4>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a,6a]P[6])(C[6a]C[5,6a]H)(H){1|C<4>,1|H<1>,2|B<4>,2|C<3>}	P[6](C[6,6a]C[6,6a,6a]C[6a])(B[6]P[6]HH)(BH3)(H){1|H<1>,2|C<4>,3|C<3>}	117.0510	0.069	2	117.0510	0.005	2	117.0510	0.005	2	117.0510	0.005	2	118.4013	5.553	94	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6,6a]	C[6a]	P[6]	3:3:4:	3:3:1:	3:4:4:4:	C[6,6a,6a]-3:C[6a]-3:P[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:B[6]-4:C-4:C-4:	C[6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a])(C[6a]C[6a]H)(P[6]B[6]CC)	C[6a](C[6,6a]C[6,6a,6a]P[6])(C[6a]C[5,6a]H)(H)	P[6](C[6,6a]C[6,6a,6a]C[6a])(B[6]P[6]HH)(CCCH)2	C[6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a])(C[6a]C[6a]H)(P[6]B[6]CC){1|P<4>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a,6a]P[6])(C[6a]C[5,6a]H)(H){1|B<4>,2|C<3>,3|C<4>}	P[6](C[6,6a]C[6,6a,6a]C[6a])(B[6]P[6]HH)(CCCH)2{1|B<4>,1|C<4>,1|H<1>,3|C<3>}	118.4790	2.288	2	117.9762	1.557	5	117.9762	1.557	5	117.9762	1.557	5	118.4013	5.553	94	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6,6a]	C[6a]	P[6]	3:3:4:	3:3:1:	3:4:4:4:	C[6,6a,6a]-3:C[6a]-3:P[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:B[6]-4:C-4:C-4:	C[6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a])(C[6a]C[6a]H)(P[6]B[6]CC)	C[6a](C[6,6a]C[6,6a,6a]P[6])(C[6a]C[5,6a]H)(H)	P[6](C[6,6a]C[6,6a,6a]C[6a])(B[6]P[6]HH)(CCCH)2	C[6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a])(C[6a]C[6a]H)(P[6]B[6]CC){1|P<4>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a,6a]P[6])(C[6a]C[5,6a]H)(H){1|B<4>,2|C<3>,3|C<4>}	P[6](C[6,6a]C[6,6a,6a]C[6a])(B[6]P[6]HH)(CCCH)2{1|B<4>,1|H<1>,4|C<3>}	117.3240	0.000	1	117.9762	1.557	5	117.9762	1.557	5	117.9762	1.557	5	118.4013	5.553	94	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6,6a]	C[6a]	P[6]	3:3:4:	3:3:1:	3:4:4:4:	C[6,6a,6a]-3:C[6a]-3:P[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:B[6]-4:C-4:C-4:	C[6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a])(C[6a]C[6a]H)(P[6]B[6]CC)	C[6a](C[6,6a]C[6,6a,6a]P[6])(C[6a]C[5,6a]H)(H)	P[6](C[6,6a]C[6,6a,6a]C[6a])(B[6]P[6]HH)(CCCH)2	C[6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a])(C[6a]C[6a]H)(P[6]B[6]CC){1|P<4>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a,6a]P[6])(C[6a]C[5,6a]H)(H){1|B<4>,2|C<3>,3|C<4>}	P[6](C[6,6a]C[6,6a,6a]C[6a])(B[6]P[6]HH)(CCCH)2{1|B<4>,2|H<1>,3|C<3>}	117.7995	0.012	2	117.9762	1.557	5	117.9762	1.557	5	117.9762	1.557	5	118.4013	5.553	94	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6,6a]	C[6a]	P[6]	3:4:3:	3:3:1:	3:2:4:4:	C[6,6a]-3:P[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:O[6]-2:C[6]-4:B-4:	C[6,6a](C[6,6a]C[6,6a]C[6a])(P[6]C[6]O[6]B)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]P[6])(C[6a]C[6a]H)(H)	P[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(C[6]C[6]2H)(BH3)	C[6,6a](C[6,6a]C[6,6a]C[6a])(P[6]C[6]O[6]B)(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]P[6])(C[6a]C[6a]H)(H){1|B<4>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	P[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(C[6]C[6]2H)(BH3){3|C<4>,4|C<3>,4|H<1>}	121.2090	0.312	3	121.2090	0.097	3	121.2090	0.097	3	121.2090	0.097	3	118.4013	5.553	94	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6,6a]	C[6a]	P[6]	3:4:3:	3:3:1:	3:3:2:1:	C[6,6a]-3:P[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(P[6]C[6a]O[6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]P[6])(C[6a]C[6a]H)(H)	P[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6,6a])(O)	C[6,6a](C[6,6a]C[6,6a]C[6a])(P[6]C[6a]O[6]O)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]P[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	P[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6,6a])(O){1|O<2>,2|H<1>,6|C<3>}	117.4880	0.000	1	117.4880	0.000	1	120.1965	14.672	2	120.1965	14.672	2	118.4013	5.553	94	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6,6a]	C[6a]	P[6]	3:4:3:	3:3:1:	3:3:2:1:	C[6,6a]-3:P[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(P[6]C[6a]O[6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]P[6])(C[6a]C[6a]H)(H)	P[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(P[6]C[6a]O[6]O)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]P[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	P[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(O){3|H<1>,6|C<3>}	122.9050	0.000	1	122.9050	0.000	1	120.1965	14.672	2	120.1965	14.672	2	118.4013	5.553	94	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6,6a]	C[6a]	P[6]	3:4:3:	3:3:1:	3:3:3:1:	C[6,6a]-3:P[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(P[6]C[6a]C[6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]P[6])(C[6a]C[6a]H)(H)	P[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6,6]C[6a])(P[6]C[6a]C[6]O)(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]P[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	P[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(O){1|C<4>,4|C<3>,4|H<1>}	115.4970	0.000	1	115.4970	0.000	1	115.4628	0.232	5	115.8223	0.961	6	118.4013	5.553	94	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6,6a]	C[6a]	P[6]	3:4:3:	3:3:1:	3:3:3:1:	C[6,6a]-3:P[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(P[6]C[6a]C[6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]P[6])(C[6a]C[6a]H)(H)	P[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6,6a](C[6,6a]C[6a]C[6])(P[6]C[6a]C[6]O)(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]P[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	P[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]2)(O){1|C<4>,1|P<4>,4|H<1>,5|C<3>}	115.6220	0.612	2	115.6220	0.375	2	115.4628	0.232	5	115.8223	0.961	6	118.4013	5.553	94	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6,6a]	C[6a]	P[6]	3:4:3:	3:3:1:	3:3:3:1:	C[6,6a]-3:P[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(P[6]C[6a]C[6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]P[6])(C[6a]C[6a]H)(H)	P[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(P[6]C[6a]C[6]O)(C[6a]C[6a]H){2|H<1>,3|C<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a]P[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	P[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(O){1|C<4>,4|C<3>,4|H<1>}	114.8180	0.000	1	114.8180	0.000	1	115.4628	0.232	5	115.8223	0.961	6	118.4013	5.553	94	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6,6a]	C[6a]	P[6]	3:4:3:	3:3:1:	3:3:3:1:	C[6,6a]-3:P[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(P[6]C[6a]C[6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]P[6])(C[6a]C[6a]H)(H)	P[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(P[6]C[6a]C[6]O)(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]P[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	P[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(O){1|C<4>,4|C<3>,4|H<1>}	115.7550	0.000	1	115.7550	0.000	1	115.4628	0.232	5	115.8223	0.961	6	118.4013	5.553	94	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6,6a]	C[6a]	P[6]	3:4:3:	3:3:1:	3:3:3:1:	C[6,6a]-3:P[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:S-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(P[6]C[6a]N[6]S)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]P[6])(C[6a]C[6a]C)(H)	P[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C[6a])(C[6a]C[6a]2)(S)	C[6,6a](C[6,6a]C[6,6a]C[6a])(P[6]C[6a]N[6]S)(C[6a]C[6a]H){1|C<4>,1|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]P[6])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,1|S<1>,3|C<3>}	P[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C[6a])(C[6a]C[6a]2)(S){3|H<1>,8|C<3>}	117.6200	0.000	1	117.6200	0.000	1	117.6200	0.000	1	115.8223	0.961	6	118.4013	5.553	94	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6,6a]	C[6a]	P[6]	3:4:3:	3:3:1:	3:3:3:2:	C[6,6a,6a]-3:P[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6a]-3:P[6]-2:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(P[6]C[6a]2P[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a,6a]P[6])(C[6a]C[6a]H)(H)	P[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]2)2(P[6]P[6])	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(P[6]C[6a]2P[6])(C[6a]C[6a]H){1|H<1>,1|P<4>,7|C<3>}	C[6a](C[6,6a]C[6,6a,6a]P[6])(C[6a]C[6a]H)(H){1|H<1>,1|P<2>,4|C<3>}	P[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]2)2(P[6]P[6]){5|H<1>,9|C<3>}	115.3320	0.619	2	115.3320	0.384	2	115.3320	0.384	2	115.3320	0.384	2	118.4013	5.553	94	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6,6a]	C[6a]	P[6]	3:4:3:	3:3:1:	3:3:3:3:	C[6,6a,6a]-3:P[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(P[6]C[6,6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a,6a]P[6])(C[6a]C[6a]H)(H)	P[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(P[6]C[6,6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,9|C<3>}	C[6a](C[6,6a]C[6,6a,6a]P[6])(C[6a]C[6a]H)(H){1|H<1>,5|C<3>}	P[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2{1|O<2>,5|H<1>,9|C<3>}	117.1350	0.000	1	117.1350	0.000	1	117.1350	0.000	1	117.8160	0.554	5	118.4013	5.553	94	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6,6a]	C[6a]	P[6]	3:4:3:	3:3:1:	3:3:3:3:	C[6,6a]-3:P[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(P[6]C[6a]2C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]P[6])(C[6a]C[6a]H)(H)	P[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(P[6]C[6a]2C[6])(C[6a]C[6a]H){1|C<2>,2|H<1>,7|C<3>}	C[6a](C[6,6a]C[6,6a]P[6])(C[6a]C[6a]H)(H){1|H<1>,5|C<3>}	P[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(C[6]C[6]C){6|H<1>,7|C<3>}	118.9760	0.000	1	118.1145	1.484	2	117.9593	0.814	3	117.8160	0.554	5	118.4013	5.553	94	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6,6a]	C[6a]	P[6]	3:4:3:	3:3:1:	3:3:3:3:	C[6,6a]-3:P[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(P[6]C[6a]2C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]P[6])(C[6a]C[6a]H)(H)	P[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(P[6]C[6a]2C[6])(C[6a]C[6a]H){2|H<1>,8|C<3>}	C[6a](C[6,6a]C[6,6a]P[6])(C[6a]C[6a]H)(H){1|H<1>,5|C<3>}	P[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(C[6]C[6]C){6|H<1>,7|C<3>}	117.2530	0.000	1	118.1145	1.484	2	117.9593	0.814	3	117.8160	0.554	5	118.4013	5.553	94	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6,6a]	C[6a]	P[6]	3:4:3:	3:3:1:	3:3:3:3:	C[6,6a]-3:P[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(P[6]C[6a]2C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]P[6])(C[6a]C[6a]H)(H)	P[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(P[6]C[6a]2C[6])(C[6a]C[6a]H){3|H<1>,7|C<3>}	C[6a](C[6,6a]C[6,6a]P[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	P[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(C[6]C[6]H){1|N<3>,5|H<1>,7|C<3>}	117.6490	0.000	1	117.6490	0.000	1	117.9593	0.814	3	117.8160	0.554	5	118.4013	5.553	94	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6,6a]	C[6a]	P[6]	3:4:3:	3:3:1:	3:3:3:3:	C[6,6a]-3:P[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6a]-3:Ge[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(P[6]C[6a]2Ge[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]P[6])(C[6a]C[6a]H)(H)	P[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(Ge[6]N[6]Cl)	C[6,6a](C[6,6a]C[6a]C[6])(P[6]C[6a]2Ge[6])(C[6a]C[6a]H){1|Cl<1>,1|N<3>,4|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]P[6])(C[6a]C[6a]H)(H){1|Ge<3>,1|C<4>,1|H<1>,3|C<3>}	P[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(Ge[6]N[6]Cl){1|C<4>,5|H<1>,7|C<3>}	118.0670	0.000	1	118.0670	0.000	1	118.0670	0.000	1	117.8160	0.554	5	118.4013	5.553	94	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6,6a]	C[6a]	P[6]	3:4:3:	3:3:1:	3:3:3:4:	C[6,6a,6a]-3:P[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6a]-3:B[6]-4:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(P[6]C[6a]2B[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a,6a]P[6])(C[6a]C[6a]H)(H)	P[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]2)2(B[6]P[6]HH)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(P[6]C[6a]2B[6])(C[6a]C[6a]H){1|P<4>,3|H<1>,7|C<3>}	C[6a](C[6,6a]C[6,6a,6a]P[6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,4|C<3>}	P[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]2)2(B[6]P[6]HH){5|H<1>,9|C<3>}	116.2470	1.223	2	116.2470	1.496	2	116.2470	1.496	2	118.4658	4.035	6	118.4013	5.553	94	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6,6a]	C[6a]	P[6]	3:4:3:	3:3:1:	3:3:3:4:	C[6,6a]-3:P[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]B[5a,6]C[6a])(P[6]C[6a]2C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]P[6])(C[6a]C[6a]H)(H)	P[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(C[6]O[6]HH)	C[6,6a](C[6,6a]B[5a,6]C[6a])(P[6]C[6a]2C[6])(C[6a]C[6a]H){3|O<2>,4|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]P[6])(C[6a]C[6a]H)(H){1|B<4>,1|C<4>,1|H<1>,3|C<3>}	P[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(C[6]O[6]HH){1|B<4>,5|H<1>,6|C<3>}	120.2700	0.000	1	120.2700	0.000	1	119.5752	1.303	4	118.4658	4.035	6	118.4013	5.553	94	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6,6a]	C[6a]	P[6]	3:4:3:	3:3:1:	3:3:3:4:	C[6,6a]-3:P[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]N[6])(P[6]C[6a]2C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]P[6])(C[6a]C[6a]H)(H)	P[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]N[6])(P[6]C[6a]2C[6])(C[6a]C[6a]H){1|C<4>,4|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]P[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	P[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(C[6]C[6]HH){1|N<3>,6|C<3>,7|H<1>}	118.2290	0.000	1	118.2290	0.000	1	119.5752	1.303	4	118.4658	4.035	6	118.4013	5.553	94	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6,6a]	C[6a]	P[6]	3:4:3:	3:3:1:	3:3:3:4:	C[6,6a]-3:P[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]P[6])(P[6]C[6a]2C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]P[6])(C[6a]C[6a]H)(H)	P[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]P[6])(P[6]C[6a]2C[6])(C[6a]C[6a]H){1|C<4>,4|H<1>,7|C<3>}	C[6a](C[6,6a]C[6,6a]P[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|P<4>,3|C<3>}	P[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(C[6]C[6]HH){1|P<4>,6|C<3>,7|H<1>}	119.9010	1.184	2	119.9010	1.401	2	119.5752	1.303	4	118.4658	4.035	6	118.4013	5.553	94	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6,6a]	C[6a]	P[6]	3:4:3:	3:3:1:	3:3:4:4:	C[6,6a,6a]-3:P[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:B[6]-4:B-4:	C[6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a])(P[6]C[6a]B[6]B)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a,6a]P[6])(C[6a]C[5,6a]H)(H)	P[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]2)(B[6]P[6]HH)(BH3)	C[6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a])(P[6]C[6a]B[6]B)(C[6a]C[6a]H){1|P<4>,3|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a,6a]P[6])(C[6a]C[5,6a]H)(H){1|C<4>,2|B<4>,3|C<3>}	P[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]2)(B[6]P[6]HH)(BH3){2|C<4>,3|H<1>,5|C<3>}	118.2870	0.000	1	118.2870	0.000	1	118.2870	0.000	1	118.2870	0.000	1	118.4013	5.553	94	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6,6a]	C[6a]	P[6]	3:4:3:	3:3:1:	3:4:3:1:	C[6,6a]-3:P[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:O-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(P[6]C[6a]C[6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]P[6])(C[6a]C[6a]H)(H)	P[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)(C[6a]C[6a]2)(O)	C[6,6a](C[6,6a]C[6,6a]C[6a])(P[6]C[6a]C[6]O)(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]P[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	P[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)(C[6a]C[6a]2)(O){3|H<1>,6|C<3>}	118.6760	0.000	1	118.6760	0.000	1	118.6760	0.000	1	118.6760	0.000	1	118.4013	5.553	94	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6,6a]	C[6a]	P[6]	3:4:3:	3:3:1:	3:4:3:3:	C[6,6a]-3:P[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:B[6]-4:C[6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(P[6]C[6a]2B[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]P[6])(C[6a]C[6a]H)(H)	P[6](C[6,6a]C[6,6a]C[6a])(B[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(P[6]C[6a]2B[6])(C[6a]C[6a]H){3|H<1>,8|C<3>}	C[6a](C[6,6a]C[6,6a]P[6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,4|C<3>}	P[6](C[6,6a]C[6,6a]C[6a])(B[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)2{10|C<3>,5|H<1>}	120.7970	0.000	1	120.7970	0.000	1	120.7970	0.000	1	120.7970	0.000	1	118.4013	5.553	94	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6,6a]	C[6a]	P[6]	3:4:3:	3:3:1:	3:4:3:4:	C[6,6a]-3:P[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:B-4:	C[6,6a](C[6,6a]C[6,6a]C[6a])(P[6]C[6a]C[6]B)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]P[6])(C[6a]C[6a]H)(H)	P[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(C[6a]C[6a]2)(BH3)	C[6,6a](C[6,6a]C[6,6a]C[6a])(P[6]C[6a]C[6]B)(C[6a]C[6a]H){4|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]P[6])(C[6a]C[6a]H)(H){1|B<4>,1|C<4>,1|H<1>,3|C<3>}	P[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(C[6a]C[6a]2)(BH3){3|H<1>,6|C<3>}	120.0285	0.012	2	120.0285	0.000	2	120.0285	0.000	2	120.0285	0.000	2	118.4013	5.553	94	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6,6a]	C[6a]	P[6]	3:4:3:	3:3:1:	3:4:4:4:	C[6,6a,6a]-3:P[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5]-4:B[6]-4:B-4:	C[6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a])(P[6]B[6]C[5]B)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a,6a]P[6])(C[6a]C[5,6a]H)(H)	P[6](C[6,6a]C[6,6a,6a]C[6a])(C[5]C[5]2Fe)(B[6]P[6]HH)(BH3)	C[6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a])(P[6]B[6]C[5]B)(C[6a]C[6a]H){1|Fe<10>,1|P<4>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a,6a]P[6])(C[6a]C[5,6a]H)(H){2|B<4>,2|C<3>,2|C<4>}	P[6](C[6,6a]C[6,6a,6a]C[6a])(C[5]C[5]2Fe)(B[6]P[6]HH)(BH3){3|C<3>,3|H<1>,4|C<4>}	115.3185	0.148	2	115.3185	0.022	2	115.3185	0.022	2	115.3185	0.022	2	118.4013	5.553	94	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6,6a]	C[6a]	P[6]	3:4:3:	3:3:1:	4:3:3:3:	C[6,6a]-3:P[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(P[6]C[6,6]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]P[6])(C[6a]C[6a]H)(H)	P[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2	C[6,6a](C[6,6a]C[6,6]C[6a])(P[6]C[6,6]C[6a]2)(C[6a]C[6a]H){1|N<3>,1|P<4>,4|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]P[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	P[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2{2|C<4>,5|H<1>,8|C<3>}	118.3035	1.968	2	118.3035	3.873	2	118.3035	3.873	2	118.3035	3.873	2	118.4013	5.553	94	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6,6a]	C[6a]	P[6]	3:4:3:	3:3:2:	3:3:3:3:	C[6,6a]-3:P[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(P[6]C[6,6a]C[6a]2)(C[6a]C[6a]O)	C[6a](C[6,6a]C[6,6a]P[6])(C[6a]C[6a]H)(OC)	P[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(P[6]C[6,6a]C[6a]2)(C[6a]C[6a]O){2|H<1>,8|C<3>}	C[6a](C[6,6a]C[6,6a]P[6])(C[6a]C[6a]H)(OC){1|O<2>,5|C<3>}	P[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2{1|O<2>,5|H<1>,9|C<3>}	117.8530	0.000	1	117.8530	0.000	1	117.8530	0.000	1	117.8530	0.000	1	118.4013	5.553	94	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6,6a]	C[6a]	P[6]	3:4:3:	3:3:2:	3:3:3:4:	C[6,6a]-3:P[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]N[6])(P[6]C[6a]2C[6])(C[6a]C[6a]O)	C[6a](C[6,6a]C[6,6a]P[6])(C[6a]C[6a]H)(OC)	P[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]N[6])(P[6]C[6a]2C[6])(C[6a]C[6a]O){1|C<4>,4|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]P[6])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	P[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(C[6]C[6]HH){1|N<3>,1|O<2>,6|C<3>,6|H<1>}	117.9570	0.000	1	117.9570	0.000	1	117.9570	0.000	1	117.9570	0.000	1	118.4013	5.553	94	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6,6a]	C[6a]	P[6]	4:3:3:	3:3:1:	3:3:3:1:	P[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:F-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:O-1:	C[6,6a](P[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]O[6])(C[6a]C[6a]F)	C[6a](C[6,6a]C[6,6a]P[6])(C[6a]C[6a]H)(F)	P[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(O)	C[6,6a](P[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]O[6])(C[6a]C[6a]F){2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]P[6])(C[6a]C[6a]H)(F){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	P[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(O){2|F<1>,3|O<2>,6|C<3>}	120.5120	0.000	1	120.5120	0.000	1	120.5120	0.000	1	119.2284	7.008	22	118.4013	5.553	94	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6,6a]	C[6a]	P[6]	4:3:3:	3:3:1:	3:3:3:1:	P[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:O-1:	C[6,6a](P[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]P[6])(C[6a]C[6a]O)(H)	P[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(O)	C[6,6a](P[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]P[6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	P[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(O){1|C<4>,4|H<1>,6|C<3>}	116.8770	0.775	2	116.8770	0.601	2	116.7645	0.343	4	119.2284	7.008	22	118.4013	5.553	94	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6,6a]	C[6a]	P[6]	4:3:3:	3:3:1:	3:3:3:1:	P[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:O-1:	C[6,6a](P[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]P[6])(C[6a]C[6a]H)(H)	P[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(O)	C[6,6a](P[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]P[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	P[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(O){1|N<3>,4|H<1>,6|C<3>}	116.6520	0.615	2	116.6520	0.378	2	116.7645	0.343	4	119.2284	7.008	22	118.4013	5.553	94	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6,6a]	C[6a]	P[6]	4:3:3:	3:3:1:	3:3:3:1:	P[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:S-1:	C[6,6a](P[6]C[6,6a]C[6a]S)(C[6,6a]C[6a]B[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]P[6])(C[6a]C[6a]H)(H)	P[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(S)	C[6,6a](P[6]C[6,6a]C[6a]S)(C[6,6a]C[6a]B[6])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]P[6])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,1|S<1>,3|C<3>}	P[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(S){1|B<3>,4|H<1>,6|C<3>}	117.7097	1.820	4	117.7097	3.312	4	120.5858	6.883	12	119.2284	7.008	22	118.4013	5.553	94	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6,6a]	C[6a]	P[6]	4:3:3:	3:3:1:	3:3:3:1:	P[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:S-1:	C[6,6a](P[6]C[6,6a]C[6a]S)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]P[6])(C[6a]C[6a]H)(H)	P[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(S)	C[6,6a](P[6]C[6,6a]C[6a]S)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]P[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|S<1>,3|C<3>}	P[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(S){1|N<3>,2|C<4>,2|H<1>,6|C<3>}	122.7768	0.711	6	122.0239	2.307	8	120.5858	6.883	12	119.2284	7.008	22	118.4013	5.553	94	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6,6a]	C[6a]	P[6]	4:3:3:	3:3:1:	3:3:3:1:	P[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:S-1:	C[6,6a](P[6]C[6,6a]C[6a]S)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]P[6])(C[6a]C[6a]H)(H)	P[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(S)	C[6,6a](P[6]C[6,6a]C[6a]S)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]P[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|S<1>,3|C<3>}	P[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(S){1|N<3>,2|C<4>,2|H<1>,6|C<3>}	119.7650	0.120	2	122.0239	2.307	8	120.5858	6.883	12	119.2284	7.008	22	118.4013	5.553	94	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6,6a]	C[6a]	P[6]	4:3:3:	3:3:1:	3:3:3:1:	P[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:Se-1:	C[6,6a](P[6]C[6,6a]C[6a]Se)(C[6,6a]C[6a]B[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]P[6])(C[6a]C[6a]H)(H)	P[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(Se)	C[6,6a](P[6]C[6,6a]C[6a]Se)(C[6,6a]C[6a]B[6])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]P[6])(C[6a]C[6a]H)(H){1|Se<1>,1|B<3>,1|H<1>,3|C<3>}	P[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(Se){1|B<3>,4|H<1>,6|C<3>}	117.6603	1.866	4	117.6603	3.482	4	117.6603	3.482	4	119.2284	7.008	22	118.4013	5.553	94	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6,6a]	C[6a]	P[6]	4:3:3:	3:3:1:	3:3:3:1:	P[6]-4:C[6,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:C[6,6]-3:C[6a]-3:O-1:	C[6,6a](P[6]C[6,6]C[6a]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]P[6])(H)	P[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(O)	C[6,6a](P[6]C[6,6]C[6a]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H){1|H<1>,7|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]P[6])(H){1|H<1>,1|O<1>,6|C<3>}	P[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(O){4|H<1>,7|C<3>}	117.7830	0.000	1	117.7830	0.000	1	117.7830	0.000	1	119.2284	7.008	22	118.4013	5.553	94	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6,6a]	C[6a]	P[6]	4:3:3:	3:3:1:	3:3:3:3:	P[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-3:C[6a]-3:C[6a]-3:	C[6,6a](P[6]C[6,6]C[6a]2)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]P[6])(C[6a]C[6a]H)(H)	P[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6])(C[6a]C[6a]2)2	C[6,6a](P[6]C[6,6]C[6a]2)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|N<3>,3|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]P[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	P[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6])(C[6a]C[6a]2)2{1|N<3>,1|P<4>,6|H<1>,7|C<3>}	118.5605	0.069	2	118.5605	0.005	2	118.5605	0.005	2	118.4006	1.711	8	118.4013	5.553	94	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6,6a]	C[6a]	P[6]	4:3:3:	3:3:1:	3:3:3:3:	P[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6,6a](P[6]C[6,6a]C[6a]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]P[6])(C[6a]C[6a]H)(H)	P[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)2	C[6,6a](P[6]C[6,6a]C[6a]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){3|H<1>,8|C<3>}	C[6a](C[6,6a]C[6,6a]P[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	P[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)2{1|C<4>,6|H<1>,8|C<3>}	118.6190	1.174	2	118.6190	1.378	2	117.9647	2.521	4	118.4006	1.711	8	118.4013	5.553	94	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6,6a]	C[6a]	P[6]	4:3:3:	3:3:1:	3:3:3:3:	P[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6,6a](P[6]C[6,6a]C[6a]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]P[6])(C[6a]C[6a]N)(H)	P[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)2	C[6,6a](P[6]C[6,6a]C[6a]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|H<1>,8|C<3>}	C[6a](C[6,6a]C[6,6a]P[6])(C[6a]C[6a]N)(H){1|C<4>,1|H<1>,4|C<3>}	P[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)2{1|C<4>,6|H<1>,8|C<3>}	117.3105	2.115	2	117.3105	4.473	2	117.9647	2.521	4	118.4006	1.711	8	118.4013	5.553	94	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6,6a]	C[6a]	P[6]	4:3:3:	3:3:1:	3:3:3:3:	P[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6,6]-3:C[6a]-3:C[6a]-3:	C[6,6a](P[6]N[6,6]C[6a]2)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]P[6])(C[6a]C[6a]C)(H)	P[6](C[6,6a]C[6,6a]C[6a])(N[6,6]In[3x6]C[6])(C[6a]C[6a]2)2	C[6,6a](P[6]N[6,6]C[6a]2)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|In<5>,3|C<4>,5|C<3>}	C[6a](C[6,6a]C[6,6a]P[6])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	P[6](C[6,6a]C[6,6a]C[6a])(N[6,6]In[3x6]C[6])(C[6a]C[6a]2)2{1|C<4>,1|N<3>,3|O<2>,6|C<3>,7|H<1>}	119.1125	1.607	2	119.1125	2.583	2	119.1125	2.583	2	118.4006	1.711	8	118.4013	5.553	94	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6,6a]	C[6a]	P[6]	4:3:3:	3:3:1:	3:3:3:4:	P[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:B-4:	C[6,6a](P[6]C[6,6a]C[6a]B)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]P[6])(C[6a]C[6a]H)(H)	P[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(BH3)	C[6,6a](P[6]C[6,6a]C[6a]B)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]P[6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|N<3>,3|C<3>}	P[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(BH3){1|N<3>,4|H<1>,6|C<3>}	119.7665	0.268	4	119.7665	0.072	4	119.7665	0.072	4	118.6417	4.181	6	118.4013	5.553	94	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6,6a]	C[6a]	P[6]	4:3:3:	3:3:1:	3:3:3:4:	P[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	N[5,6]-3:C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](P[6]N[5,6]C[6a]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]P[6])(C[6a]C[6a]C)(H)	P[6](N[5,6]In[5,5,6,6]C[5])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(CC3)	C[6,6a](P[6]N[5,6]C[6a]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|In<6>,3|C<3>,3|C<4>}	C[6a](C[6,6a]C[6,6a]P[6])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	P[6](N[5,6]In[5,5,6,6]C[5])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(CC3){1|C<4>,1|N<3>,4|C<3>,4|O<2>,5|H<1>}	116.3920	2.346	2	116.3920	5.505	2	116.3920	5.505	2	118.6417	4.181	6	118.4013	5.553	94	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6,6a]	C[6a]	P[6]	4:3:3:	3:3:1:	3:4:3:3:	P[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[3,6]-4:C[6a]-3:C[6a]-3:	C[6,6a](P[6]C[3,6]C[6a]2)(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]P[6])(C[6a]C[6a]H)(H)	P[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]C[3]C)(C[6a]C[6a]2)2	C[6,6a](P[6]C[3,6]C[6a]2)(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){2|H<1>,3|C<4>,5|C<3>}	C[6a](C[6,6a]C[6,6a]P[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,3|C<3>}	P[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]C[3]C)(C[6a]C[6a]2)2{1|C<4>,1|N<3>,1|S<2>,6|C<3>,6|H<1>}	120.3810	0.000	1	120.3810	0.000	1	120.3810	0.000	1	120.3810	0.000	1	118.4013	5.553	94	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6,6a]	C[6a]	P[6]	4:3:3:	3:3:2:	3:3:3:1:	P[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:O-1:	C[6,6a](P[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O)	C[6a](C[6,6a]C[6,6a]P[6])(C[6a]C[6a]H)(OC)	P[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(O)	C[6,6a](P[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O){2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]P[6])(C[6a]C[6a]H)(OC){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	P[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(O){2|F<1>,3|O<2>,6|C<3>}	121.1200	0.000	1	121.1200	0.000	1	121.1200	0.000	1	121.1200	0.000	1	118.4013	5.553	94	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6a]	C[6a]	P[6,6]	4:3:3:	3:3:1:	4:4:3:3:	P[6,6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[4,6,6]-4:C[6,6]-4:C[6a]-3:C[6a]-3:	C[6a](P[6,6]C[4,6,6]C[6,6]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]P[6,6]C[6a])(C[6a]C[6a]H)(H)	P[6,6](C[4,6,6]C[4,6]2H)(C[6,6]P[6,6]HH)(C[6a]C[6a]2)2	C[6a](P[6,6]C[4,6,6]C[6,6]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|P<4>,2|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a]P[6,6]C[6a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	P[6,6](C[4,6,6]C[4,6]2H)(C[6,6]P[6,6]HH)(C[6a]C[6a]2)2{1|C<4>,2|O<2>,2|P<4>,4|H<1>,6|C<3>}	122.3423	0.709	4	122.3423	0.502	4	122.3423	0.502	4	122.3423	0.502	4	119.2026	6.966	14	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6a]	C[6a]	P[6,6]	4:3:3:	3:3:2:	4:4:3:3:	P[6,6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[4,6,6]-4:C[6,6]-4:C[6a]-3:C[6a]-3:	C[6a](P[6,6]C[4,6,6]C[6,6]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]P[6,6]C[6a])(C[6a]C[6a]H)(OC)	P[6,6](C[4,6,6]C[4,6]2H)(C[6,6]P[6,6]HH)(C[6a]C[6a]2)2	C[6a](P[6,6]C[4,6,6]C[6,6]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|P<4>,2|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a]P[6,6]C[6a])(C[6a]C[6a]H)(OC){2|C<3>,2|C<4>,2|H<1>}	P[6,6](C[4,6,6]C[4,6]2H)(C[6,6]P[6,6]HH)(C[6a]C[6a]2)2{1|C<4>,2|O<2>,2|P<4>,4|H<1>,6|C<3>}	117.1010	0.800	4	117.1010	0.640	4	117.1010	0.640	4	117.1010	0.640	4	119.2026	6.966	14	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6a]	C[6a]	P[6,6]	4:3:3:	3:3:4:	3:3:4:4:	P[6,6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6,6]-3:C[6a]-3:C[6]-4:C[6]-4:	C[6a](P[6,6]C[6,6]C[6]2)(C[6a]C[6a]C)2	C[6a](C[6a]P[6,6]C[6a])(C[6a]C[6a]H)(CC3)	P[6,6](C[6,6]N[6]S[6])(C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](P[6,6]C[6,6]C[6]2)(C[6a]C[6a]C)2{1|C<3>,1|N<3>,1|S<2>,2|C<4>,6|H<1>}	C[6a](C[6a]P[6,6]C[6a])(C[6a]C[6a]H)(CC3){2|C<3>,4|C<4>}	P[6,6](C[6,6]N[6]S[6])(C[6a]C[6a]2)(C[6]C[6]HH)2{2|B<4>,2|C<4>,3|C<3>,4|H<1>}	119.3085	4.477	2	119.3085	20.041	2	118.8750	8.418	4	118.5107	5.432	6	119.2026	6.966	14	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6a]	C[6a]	P[6,6]	4:3:3:	3:3:4:	3:3:4:4:	P[6,6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6,6]-3:C[6a]-3:C[6]-4:C[6]-4:	C[6a](P[6,6]C[6,6]C[6]2)(C[6a]C[6a]C)2	C[6a](C[6a]P[6,6]C[6a])(C[6a]C[6a]H)(CC3)	P[6,6](C[6,6]O[6]2)(C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](P[6,6]C[6,6]C[6]2)(C[6a]C[6a]C)2{1|C<3>,2|C<4>,2|O<2>,6|H<1>}	C[6a](C[6a]P[6,6]C[6a])(C[6a]C[6a]H)(CC3){2|C<3>,4|C<4>}	P[6,6](C[6,6]O[6]2)(C[6a]C[6a]2)(C[6]C[6]HH)2{2|B<4>,2|C<3>,2|C<4>,4|H<1>}	118.4415	2.112	2	118.4415	4.461	2	118.8750	8.418	4	118.5107	5.432	6	119.2026	6.966	14	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6a]	C[6a]	P[6,6]	4:3:3:	3:3:4:	3:3:4:4:	P[6,6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:S[6,6]-3:C[6]-4:C[6]-4:	C[6a](P[6,6]S[6,6]C[6]2)(C[6a]C[6a]C)2	C[6a](C[6a]P[6,6]C[6a])(C[6a]C[6a]H)(CC3)	P[6,6](C[6a]C[6a]2)(S[6,6]O[6]2)(C[6]C[6]HH)2	C[6a](P[6,6]S[6,6]C[6]2)(C[6a]C[6a]C)2{1|C<3>,2|C<4>,2|O<2>,6|H<1>}	C[6a](C[6a]P[6,6]C[6a])(C[6a]C[6a]H)(CC3){1|C<3>,1|S<3>,4|C<4>}	P[6,6](C[6a]C[6a]2)(S[6,6]O[6]2)(C[6]C[6]HH)2{2|B<4>,2|C<3>,2|C<4>,4|H<1>}	117.7820	0.560	2	117.7820	0.314	2	117.7820	0.314	2	118.5107	5.432	6	119.2026	6.966	14	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6a]	C[6a]	P[6]	3:3:4:	3:3:1:	3:2:2:4:	C[6a]-3:C[6a]-3:P[6]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-2:N[6]-2:C-4:	C[6a](C[6a]C[6a]H)2(P[6]N[6]2C)	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H)	P[6](C[6a]C[6a]2)(N[6]P[6])2(CBrHH)	C[6a](C[6a]C[6a]H)2(P[6]N[6]2C){1|C<3>,2|H<1>,2|P<4>}	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|N<2>}	P[6](C[6a]C[6a]2)(N[6]P[6])2(CBrHH){1|N<2>,2|C<4>,2|H<1>,4|C<3>}	120.5456	0.932	10	120.5456	0.869	10	120.6054	0.401	36	120.6054	0.401	36	120.3343	3.672	928	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6a]	C[6a]	P[6]	3:3:4:	3:3:1:	3:2:2:4:	C[6a]-3:C[6a]-3:P[6]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-2:N[6]-2:C-4:	C[6a](C[6a]C[6a]H)2(P[6]N[6]2C)	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H)	P[6](C[6a]C[6a]2)(N[6]P[6])2(CCHH)	C[6a](C[6a]C[6a]H)2(P[6]N[6]2C){1|C<3>,2|H<1>,2|P<4>}	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|N<2>}	P[6](C[6a]C[6a]2)(N[6]P[6])2(CCHH){1|N<2>,2|C<4>,2|H<1>,4|C<3>}	120.6310	0.351	10	120.6310	0.123	10	120.6054	0.401	36	120.6054	0.401	36	120.3343	3.672	928	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6a]	C[6a]	P[6]	3:3:4:	3:3:1:	3:2:2:4:	C[6a]-3:C[6a]-3:P[6]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-2:N[6]-2:C-4:	C[6a](C[6a]C[6a]H)2(P[6]N[6]2C)	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H)	P[6](C[6a]C[6a]2)(N[6]P[6])2(CH3)	C[6a](C[6a]C[6a]H)2(P[6]N[6]2C){1|C<3>,2|H<1>,2|P<4>}	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|N<2>}	P[6](C[6a]C[6a]2)(N[6]P[6])2(CH3){1|N<2>,2|C<4>,2|H<1>,4|C<3>}	120.9313	0.564	4	120.9313	0.319	4	120.6054	0.401	36	120.6054	0.401	36	120.3343	3.672	928	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6a]	C[6a]	P[6]	3:3:4:	3:3:1:	3:2:2:4:	C[6a]-3:C[6a]-3:P[6]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-2:N[6]-2:C-4:	C[6a](C[6a]C[6a]H)2(P[6]N[6]2C)	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H)	P[6](C[6a]C[6a]2)(N[6]P[6])2(CHHI)	C[6a](C[6a]C[6a]H)2(P[6]N[6]2C){1|C<3>,2|H<1>,2|P<4>}	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|N<2>}	P[6](C[6a]C[6a]2)(N[6]P[6])2(CHHI){1|N<2>,2|C<4>,2|H<1>,4|C<3>}	120.4862	0.749	6	120.4862	0.561	6	120.6054	0.401	36	120.6054	0.401	36	120.3343	3.672	928	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6a]	C[6a]	P[6]	3:3:4:	3:3:1:	3:2:2:4:	C[6a]-3:C[6a]-3:P[6]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-2:N[6]-2:C-4:	C[6a](C[6a]C[6a]H)2(P[6]N[6]2C)	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H)	P[6](C[6a]C[6a]2)(N[6]P[6])2(CHHS)	C[6a](C[6a]C[6a]H)2(P[6]N[6]2C){1|C<3>,2|H<1>,2|P<4>}	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|N<2>}	P[6](C[6a]C[6a]2)(N[6]P[6])2(CHHS){1|N<2>,2|C<4>,2|H<1>,4|C<3>}	120.5643	0.397	6	120.5643	0.157	6	120.6054	0.401	36	120.6054	0.401	36	120.3343	3.672	928	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6a]	C[6a]	P[6]	3:3:4:	3:3:1:	3:3:2:2:	C[6a]-3:C[6a]-3:P[6]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:N[6]-2:N[6]-2:	C[6a](C[6a]C[6a]H)2(P[6]N[6]3)	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H)	P[6](C[6a]C[6a]2)(N[6]C[6]2)(N[6]P[6])2	C[6a](C[6a]C[6a]H)2(P[6]N[6]3){1|C<3>,2|C<4>,2|H<1>,2|P<4>}	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|H<1>,2|N<2>}	P[6](C[6a]C[6a]2)(N[6]C[6]2)(N[6]P[6])2{3|Cl<1>,1|N<2>,1|N<3>,2|C<3>,2|C<4>,6|H<1>}	120.3890	1.363	2	120.3890	1.859	2	120.3890	1.859	2	120.3890	1.859	2	120.3343	3.672	928	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6a]	C[6a]	P[6]	3:3:4:	3:3:1:	3:3:3:1:	C[6a]-3:C[6a]-3:P[6]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:N[6]-3:O-1:	C[6a](C[6a]C[6a]H)2(P[6]N[6]2O)	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H)	P[6](C[6a]C[6a]2)(N[6]S[6]C)2(O)	C[6a](C[6a]C[6a]H)2(P[6]N[6]2O){1|C<3>,2|C<4>,2|H<1>,2|S<2>}	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<1>,2|H<1>,2|N<3>}	P[6](C[6a]C[6a]2)(N[6]S[6]C)2(O){1|S<2>,2|C<3>,2|H<1>}	120.1780	1.764	2	120.1780	3.110	2	120.1780	3.110	2	120.1780	3.110	2	120.3343	3.672	928	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6a]	C[6a]	P[6]	3:3:4:	3:3:1:	3:4:2:2:	C[6a]-3:C[6a]-3:P[6]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:N[6]-2:N[6]-2:	C[6a](C[6a]C[6a]H)2(P[6]N[6]2P)	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H)	P[6](C[6a]C[6a]2)(PC[6a]2Mn)(N[6]P[6])2	C[6a](C[6a]C[6a]H)2(P[6]N[6]2P){1|C<3>,2|H<1>,2|P<4>}	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H){1|C<3>,1|P<4>,2|H<1>,2|N<2>}	P[6](C[6a]C[6a]2)(PC[6a]2Mn)(N[6]P[6])2{4|Cl<1>,1|N<2>,2|C<3>,2|H<1>}	119.8490	0.861	2	119.8490	0.742	2	119.8490	0.742	2	119.8490	0.742	2	120.3343	3.672	928	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6a]	C[6a]	P[6]	3:3:4:	3:3:1:	3:4:4:1:	C[6a]-3:C[6a]-3:P[6]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:O-1:	C[6a](C[6a]C[6a]H)2(P[6]C[6]2O)	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H)	P[6](C[6a]C[6a]2)(C[6]C[6]HH)2(O)	C[6a](C[6a]C[6a]H)2(P[6]C[6]2O){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	P[6](C[6a]C[6a]2)(C[6]C[6]HH)2(O){1|C<4>,1|P<4>,3|C<3>,3|H<1>}	120.4765	6.048	2	120.4765	36.577	2	120.4765	36.577	2	120.4765	36.577	2	120.3343	3.672	928	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6a]	C[6a]	P[6]	3:3:4:	3:3:1:	3:4:4:4:	C[6a]-3:C[6a]-3:P[6]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:B-4:	C[6a](C[6a]C[6a]H)2(P[6]C[6]2B)	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H)	P[6](C[6a]C[6a]2)(C[6]C[6]HH)2(BH3)	C[6a](C[6a]C[6a]H)2(P[6]C[6]2B){1|C<3>,2|C<4>,6|H<1>}	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,2|C<4>,2|H<1>}	P[6](C[6a]C[6a]2)(C[6]C[6]HH)2(BH3){1|P<4>,2|C<3>,6|H<1>}	120.2810	0.597	2	120.2810	0.356	2	120.2810	0.356	2	120.2810	0.356	2	120.3343	3.672	928	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6a]	C[6a]	P[6]	3:3:4:	3:3:3:	3:2:2:1:	C[6a]-3:C[6a]-3:P[6]-4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6]-2:N[6]-2:F-1:	C[6a](C[6a]C[6a]2)2(P[6]N[6]2F)	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]2)2	P[6](C[6a]C[6a]2)(N[6]P[6])2(F)	C[6a](C[6a]C[6a]2)2(P[6]N[6]2F){2|P<4>,7|C<3>}	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]2)2{1|F<1>,1|P<4>,2|H<1>,2|N<2>,6|C<3>}	P[6](C[6a]C[6a]2)(N[6]P[6])2(F){1|N<2>,4|C<3>,4|F<1>}	119.4205	1.527	2	119.4205	2.331	2	119.4205	2.331	2	119.4205	2.331	2	120.3343	3.672	928	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6a]	C[6a]	P[6]	3:3:4:	3:3:3:	3:4:4:1:	C[6a]-3:C[6a]-3:P[6]-4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a](C[6a]C[6a]2)2(P[6]C[6]2H)	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]2)(C[6a]C[6a]H)	P[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6a](C[6a]C[6a]2)2(P[6]C[6]2H){2|C<4>,5|C<3>,6|H<1>}	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,4|C<3>,4|C<4>}	P[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|B<4>,4|C<3>,4|H<1>}	119.9150	1.986	2	119.9150	3.942	2	119.9150	3.942	2	119.9150	3.942	2	120.3343	3.672	928	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6a]	C[6a]	P[6]	3:3:4:	3:3:4:	3:2:2:1:	C[6a]-3:C[6a]-3:P[6]-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:O[6]-2:O[6]-2:O-1:	C[6a](C[6a]C[6a]C)2(P[6]O[6]2O)	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(CH3)	P[6](C[6a]C[6a]2)(O[6]P[6])2(O)	C[6a](C[6a]C[6a]C)2(P[6]O[6]2O){1|C<3>,2|H<1>,2|P<4>}	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(CH3){1|C<3>,1|O<1>,2|C<4>,2|O<2>}	P[6](C[6a]C[6a]2)(O[6]P[6])2(O){1|O<2>,2|C<4>,2|O<1>,4|C<3>}	120.0267	2.222	12	120.0267	4.936	12	120.0267	4.936	12	120.0267	4.936	12	120.3343	3.672	928	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6a]	C[6a]	P[6]	3:3:4:	3:3:4:	3:3:4:1:	C[6a]-3:C[6a]-3:P[6]-4:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a](C[6a]C[6a]C)2(P[6]C[6]2H)	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(CC3)	P[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C)2(P[6]C[6]2H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(CC3){1|H<1>,2|C<3>,3|C<4>}	P[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|B<4>,2|C<4>,3|H<1>,4|C<3>}	118.5915	4.984	2	118.5915	24.844	2	118.5915	24.844	2	118.5915	24.844	2	120.3343	3.672	928	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6a]	C[6a]	P[6]	3:3:4:	3:3:4:	3:4:4:1:	C[6a]-3:C[6a]-3:P[6]-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a](C[6a]C[6a]C)2(P[6]C[6]2H)	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(CC3)	P[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]O[6]BH)(H)	C[6a](C[6a]C[6a]C)2(P[6]C[6]2H){1|B<4>,1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(CC3){1|C<3>,1|H<1>,4|C<4>}	P[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]O[6]BH)(H){1|B<3>,2|C<3>,2|C<4>,2|H<1>}	118.6043	3.481	4	118.6043	12.114	4	118.9230	7.627	6	118.9230	7.627	6	120.3343	3.672	928	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6a]	C[6a]	P[6]	3:3:4:	3:3:4:	3:4:4:1:	C[6a]-3:C[6a]-3:P[6]-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a](C[6a]C[6a]C)2(P[6]C[6]2H)	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(CCCH)	P[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6a](C[6a]C[6a]C)2(P[6]C[6]2H){1|C<3>,2|C<4>,6|H<1>}	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(CCCH){1|C<3>,1|H<1>,4|C<4>}	P[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|B<4>,2|C<3>,2|C<4>,4|H<1>}	119.5605	0.757	2	119.5605	0.574	2	118.9230	7.627	6	118.9230	7.627	6	120.3343	3.672	928	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6a]	C[6a]	P[6]	3:3:4:	3:3:4:	3:4:4:4:	C[6a]-3:C[6a]-3:P[6]-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-4:C[6]-4:B-4:	C[6a](C[6a]C[6a]C)2(P[6]C[6]2B)	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(CC3)	P[6](C[6a]C[6a]2)(C[6]C[6]HH)2(BC[6a]2H)	C[6a](C[6a]C[6a]C)2(P[6]C[6]2B){1|C<3>,2|C<4>,6|H<1>}	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(CC3){1|B<4>,1|C<3>,4|C<4>}	P[6](C[6a]C[6a]2)(C[6]C[6]HH)2(BC[6a]2H){1|B<3>,2|C<3>,2|C<4>,4|H<1>}	119.8745	0.081	2	119.8745	0.007	2	119.8745	0.007	2	119.8745	0.007	2	120.3343	3.672	928	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6a]	C[6a]	P[6]	3:3:4:	3:3:4:	4:3:3:1:	C[6a]-3:C[6a]-3:P[6]-4:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6a]-3:C[6]-3:S-1:	C[6a](C[6a]C[6a]C)2(P[6]C[6]2S)	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(CH3)	P[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]H)(S)	C[6a](C[6a]C[6a]C)2(P[6]C[6]2S){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(CH3){1|S<1>,2|C<3>,3|C<4>}	P[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]H)(S){2|C<4>,7|C<3>}	120.9047	3.648	4	120.9047	13.307	4	120.9047	13.307	4	120.9047	13.307	4	120.3343	3.672	928	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6a]	C[6a]	P[6]	4:3:3:	3:3:1:	2:3:3:2:	P[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	Se[6]-2:C[6a]-3:C[6a]-3:N[6]-2:	C[6a](P[6]C[6a]Se[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H)	P[6](Se[6]Ga[6,6])(C[6a]C[6a]2)2(N[6]P[6])	C[6a](P[6]C[6a]Se[6]N[6])(C[6a]C[6a]H)2{1|Ga<4>,1|P<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H){1|Se<2>,1|N<2>,2|C<3>,2|H<1>}	P[6](Se[6]Ga[6,6])(C[6a]C[6a]2)2(N[6]P[6]){3|Se<2>,4|H<1>,6|C<3>}	120.2870	1.815	32	120.2870	3.292	32	120.2870	3.292	32	120.2870	3.292	32	120.3343	3.672	928	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6a]	C[6a]	P[6]	4:3:3:	3:3:1:	3:2:2:1:	P[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O[6]-2:S[6]-2:S-1:	C[6a](P[6]O[6]S[6]S)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H)	P[6](C[6a]C[6a]2)(O[6]C[6,6a])(S[6]C[6])(S)	C[6a](P[6]O[6]S[6]S)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<1>,1|S<2>,2|O<2>}	P[6](C[6a]C[6a]2)(O[6]C[6,6a])(S[6]C[6])(S){4|C<3>,4|H<1>}	120.5517	1.660	4	120.5517	2.756	4	120.5517	2.756	4	120.2805	2.563	6	120.3343	3.672	928	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6a]	C[6a]	P[6]	4:3:3:	3:3:1:	3:2:2:1:	P[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S[6]-2:S[6]-2:Se-1:	C[6a](P[6]S[6]2Se)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H)	P[6](C[6a]C[6a]2)(S[6]C[6,6a])2(Se)	C[6a](P[6]S[6]2Se)(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H){1|Se<1>,1|C<3>,2|H<1>,2|S<2>}	P[6](C[6a]C[6a]2)(S[6]C[6,6a])2(Se){2|H<1>,5|C<3>}	119.7380	1.915	2	119.7380	3.667	2	119.7380	3.667	2	120.2805	2.563	6	120.3343	3.672	928	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6a]	C[6a]	P[6]	4:3:3:	3:3:1:	3:2:3:1:	P[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O[6]-2:N[6]-3:Se-1:	C[6a](P[6]N[6]O[6]Se)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H)	P[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]C)(Se)	C[6a](P[6]N[6]O[6]Se)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H){1|Se<1>,1|C<3>,1|N<3>,1|O<2>,2|H<1>}	P[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]C)(Se){1|O<1>,2|H<1>,4|C<3>}	119.1905	0.162	2	119.1905	0.026	2	119.1905	0.026	2	119.1905	0.026	2	120.3343	3.672	928	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6a]	C[6a]	P[6]	4:3:3:	3:3:1:	3:2:3:2:	P[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-2:C[6]-3:N[6]-2:	C[6a](P[6]C[6]N[6]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H)	P[6](C[6a]C[6a]2)(N[6]P[6,6])(C[6]C[6]2)(N[6]P[6])	C[6a](P[6]C[6]N[6]2)(C[6a]C[6a]H)2{2|H<1>,2|P<4>,3|C<3>}	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H){2|C<3>,2|H<1>,2|N<2>}	P[6](C[6a]C[6a]2)(N[6]P[6,6])(C[6]C[6]2)(N[6]P[6]){2|Cl<1>,1|C<2>,1|N<2>,2|N<3>,3|C<3>,4|H<1>}	121.0140	1.959	2	121.0140	3.836	2	121.0140	3.836	2	121.0140	3.836	2	120.3343	3.672	928	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6a]	C[6a]	P[6]	4:3:3:	3:3:1:	3:3:2:1:	P[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:O-1:	C[6a](P[6]C[6,6a]O[6]O)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]O)(H)	P[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6,6a])(O)	C[6a](P[6]C[6,6a]O[6]O)(C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]O)(H){1|H<1>,1|O<1>,2|C<3>,2|O<2>}	P[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6,6a])(O){1|O<2>,2|H<1>,6|C<3>}	118.2760	0.000	1	118.2760	0.000	1	119.6603	2.442	3	120.1454	1.149	7	120.3343	3.672	928	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6a]	C[6a]	P[6]	4:3:3:	3:3:1:	3:3:2:1:	P[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:O-1:	C[6a](P[6]C[6,6a]O[6]O)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H)	P[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(O)	C[6a](P[6]C[6,6a]O[6]O)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	P[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(O){3|H<1>,6|C<3>}	120.3525	1.418	2	120.3525	2.010	2	119.6603	2.442	3	120.1454	1.149	7	120.3343	3.672	928	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6a]	C[6a]	P[6]	4:3:3:	3:3:1:	3:3:2:1:	P[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[6]-3:C[6a]-3:O[6]-2:O-1:	C[6a](P[6]N[6]O[6]O)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H)	P[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(O[6]C[6,6a])(O)	C[6a](P[6]N[6]O[6]O)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	P[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(O[6]C[6,6a])(O){1|N<2>,4|H<1>,5|C<3>}	120.2350	0.413	2	120.2350	0.171	2	120.2350	0.171	2	120.1454	1.149	7	120.3343	3.672	928	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6a]	C[6a]	P[6]	4:3:3:	3:3:1:	3:3:2:1:	P[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[6]-3:C[6a]-3:O[6]-2:S-1:	C[6a](P[6]N[6]O[6]S)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H)	P[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(O[6]C[6,6a])(S)	C[6a](P[6]N[6]O[6]S)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|S<1>,2|O<2>}	P[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(O[6]C[6,6a])(S){4|H<1>,6|C<3>}	120.7835	0.548	2	120.7835	0.300	2	120.7835	0.300	2	120.1454	1.149	7	120.3343	3.672	928	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6a]	C[6a]	P[6]	4:3:3:	3:3:1:	3:3:2:2:	P[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N[6]-2:N[6]-2:	C[6a](P[6]C[6a]N[6]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H)	P[6](C[6a]C[6a]2)2(N[6]P[6,6])(N[6]P[6])	C[6a](P[6]C[6a]N[6]2)(C[6a]C[6a]H)2{2|H<1>,2|P<4>,3|C<3>}	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H){2|C<3>,2|H<1>,2|N<2>}	P[6](C[6a]C[6a]2)2(N[6]P[6,6])(N[6]P[6]){1|Cl<1>,1|N<3>,3|N<2>,4|C<3>,4|H<1>}	120.2938	0.255	4	120.3396	1.085	24	120.4630	1.386	223	120.4277	1.723	258	120.3343	3.672	928	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6a]	C[6a]	P[6]	4:3:3:	3:3:1:	3:3:2:2:	P[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N[6]-2:N[6]-2:	C[6a](P[6]C[6a]N[6]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H)	P[6](C[6a]C[6a]2)2(N[6]P[6,6])(N[6]P[6])	C[6a](P[6]C[6a]N[6]2)(C[6a]C[6a]H)2{2|H<1>,2|P<4>,3|C<3>}	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H){2|C<3>,2|H<1>,2|N<2>}	P[6](C[6a]C[6a]2)2(N[6]P[6,6])(N[6]P[6]){1|N<2>,2|N<3>,4|H<1>,6|C<3>}	120.4038	1.639	8	120.3396	1.085	24	120.4630	1.386	223	120.4277	1.723	258	120.3343	3.672	928	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6a]	C[6a]	P[6]	4:3:3:	3:3:1:	3:3:2:2:	P[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N[6]-2:N[6]-2:	C[6a](P[6]C[6a]N[6]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H)	P[6](C[6a]C[6a]2)2(N[6]P[6,6])(N[6]P[6])	C[6a](P[6]C[6a]N[6]2)(C[6a]C[6a]H)2{2|H<1>,2|P<4>,3|C<3>}	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H){2|C<3>,2|H<1>,2|N<2>}	P[6](C[6a]C[6a]2)2(N[6]P[6,6])(N[6]P[6]){2|Cl<1>,1|N<2>,1|N<3>,1|O<2>,4|C<3>,4|H<1>}	120.3187	0.773	4	120.3396	1.085	24	120.4630	1.386	223	120.4277	1.723	258	120.3343	3.672	928	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6a]	C[6a]	P[6]	4:3:3:	3:3:1:	3:3:2:2:	P[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N[6]-2:N[6]-2:	C[6a](P[6]C[6a]N[6]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H)	P[6](C[6a]C[6a]2)2(N[6]P[6,6])(N[6]P[6])	C[6a](P[6]C[6a]N[6]2)(C[6a]C[6a]H)2{2|H<1>,2|P<4>,3|C<3>}	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H){2|C<3>,2|H<1>,2|N<2>}	P[6](C[6a]C[6a]2)2(N[6]P[6,6])(N[6]P[6]){2|Cl<1>,1|N<2>,2|N<3>,4|C<3>,4|H<1>}	120.4237	0.753	4	120.3396	1.085	24	120.4630	1.386	223	120.4277	1.723	258	120.3343	3.672	928	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6a]	C[6a]	P[6]	4:3:3:	3:3:1:	3:3:2:2:	P[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N[6]-2:N[6]-2:	C[6a](P[6]C[6a]N[6]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H)	P[6](C[6a]C[6a]2)2(N[6]P[6,6])(N[6]P[6])	C[6a](P[6]C[6a]N[6]2)(C[6a]C[6a]H)2{2|H<1>,2|P<4>,3|C<3>}	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H){2|C<3>,2|H<1>,2|N<2>}	P[6](C[6a]C[6a]2)2(N[6]P[6,6])(N[6]P[6]){2|Cl<1>,1|N<2>,2|O<2>,4|C<3>,4|H<1>}	120.1937	0.877	4	120.3396	1.085	24	120.4630	1.386	223	120.4277	1.723	258	120.3343	3.672	928	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6a]	C[6a]	P[6]	4:3:3:	3:3:1:	3:3:2:2:	P[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N[6]-2:N[6]-2:	C[6a](P[6]C[6a]N[6]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H)	P[6](C[6a]C[6a]2)2(N[6]P[6,6])2	C[6a](P[6]C[6a]N[6]2)(C[6a]C[6a]H)2{2|H<1>,2|P<4>,3|C<3>}	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H){2|C<3>,2|H<1>,2|N<2>}	P[6](C[6a]C[6a]2)2(N[6]P[6,6])2{1|N<2>,2|N<3>,2|O<2>,4|C<3>,4|H<1>}	120.3457	1.320	4	120.3457	1.743	4	120.4630	1.386	223	120.4277	1.723	258	120.3343	3.672	928	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6a]	C[6a]	P[6]	4:3:3:	3:3:1:	3:3:2:2:	P[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N[6]-2:N[6]-2:	C[6a](P[6]C[6a]N[6]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H)	P[6](C[6a]C[6a]2)2(N[6]P[6])2	C[6a](P[6]C[6a]N[6]2)(C[6a]C[6a]H)2{2|H<1>,2|P<4>,3|C<3>}	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H){2|C<3>,2|H<1>,2|N<2>}	P[6](C[6a]C[6a]2)2(N[6]P[6])2{1|N<2>,1|N<3>,3|O<2>,4|C<3>,4|H<1>}	120.3740	0.739	4	120.4806	1.428	195	120.4630	1.386	223	120.4277	1.723	258	120.3343	3.672	928	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6a]	C[6a]	P[6]	4:3:3:	3:3:1:	3:3:2:2:	P[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N[6]-2:N[6]-2:	C[6a](P[6]C[6a]N[6]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H)	P[6](C[6a]C[6a]2)2(N[6]P[6])2	C[6a](P[6]C[6a]N[6]2)(C[6a]C[6a]H)2{2|H<1>,2|P<4>,3|C<3>}	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H){2|C<3>,2|H<1>,2|N<2>}	P[6](C[6a]C[6a]2)2(N[6]P[6])2{1|N<2>,2|N<3>,2|O<2>,4|C<3>,4|H<1>}	120.3284	1.268	20	120.4806	1.428	195	120.4630	1.386	223	120.4277	1.723	258	120.3343	3.672	928	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6a]	C[6a]	P[6]	4:3:3:	3:3:1:	3:3:2:2:	P[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N[6]-2:N[6]-2:	C[6a](P[6]C[6a]N[6]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H)	P[6](C[6a]C[6a]2)2(N[6]P[6])2	C[6a](P[6]C[6a]N[6]2)(C[6a]C[6a]H)2{2|H<1>,2|P<4>,3|C<3>}	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H){2|C<3>,2|H<1>,2|N<2>}	P[6](C[6a]C[6a]2)2(N[6]P[6])2{1|N<2>,2|O<2>,4|H<1>,6|C<3>}	120.5437	1.236	103	120.4806	1.428	195	120.4630	1.386	223	120.4277	1.723	258	120.3343	3.672	928	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6a]	C[6a]	P[6]	4:3:3:	3:3:1:	3:3:2:2:	P[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N[6]-2:N[6]-2:	C[6a](P[6]C[6a]N[6]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H)	P[6](C[6a]C[6a]2)2(N[6]P[6])2	C[6a](P[6]C[6a]N[6]2)(C[6a]C[6a]H)2{2|H<1>,2|P<4>,3|C<3>}	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H){2|C<3>,2|H<1>,2|N<2>}	P[6](C[6a]C[6a]2)2(N[6]P[6])2{1|N<2>,4|C<3>,4|H<1>,4|O<2>}	120.5222	0.894	44	120.4806	1.428	195	120.4630	1.386	223	120.4277	1.723	258	120.3343	3.672	928	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6a]	C[6a]	P[6]	4:3:3:	3:3:1:	3:3:2:2:	P[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N[6]-2:N[6]-2:	C[6a](P[6]C[6a]N[6]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H)	P[6](C[6a]C[6a]2)2(N[6]P[6])2	C[6a](P[6]C[6a]N[6]2)(C[6a]C[6a]H)2{2|H<1>,2|P<4>,3|C<3>}	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H){2|C<3>,2|H<1>,2|N<2>}	P[6](C[6a]C[6a]2)2(N[6]P[6])2{1|N<3>,2|N<2>,2|O<2>,4|C<3>,4|H<1>}	120.4537	0.936	4	120.4806	1.428	195	120.4630	1.386	223	120.4277	1.723	258	120.3343	3.672	928	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6a]	C[6a]	P[6]	4:3:3:	3:3:1:	3:3:2:2:	P[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N[6]-2:N[6]-2:	C[6a](P[6]C[6a]N[6]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H)	P[6](C[6a]C[6a]2)2(N[6]P[6])2	C[6a](P[6]C[6a]N[6]2)(C[6a]C[6a]H)2{2|H<1>,2|P<4>,3|C<3>}	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H){2|C<3>,2|H<1>,2|N<2>}	P[6](C[6a]C[6a]2)2(N[6]P[6])2{2|Cl<1>,1|N<2>,2|N<3>,4|C<3>,4|H<1>}	120.2142	0.606	4	120.4806	1.428	195	120.4630	1.386	223	120.4277	1.723	258	120.3343	3.672	928	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6a]	C[6a]	P[6]	4:3:3:	3:3:1:	3:3:2:2:	P[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N[6]-2:N[6]-2:	C[6a](P[6]C[6a]N[6]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H)	P[6](C[6a]C[6a]2)2(N[6]P[6])2	C[6a](P[6]C[6a]N[6]2)(C[6a]C[6a]H)2{2|H<1>,2|P<4>,3|C<3>}	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H){2|C<3>,2|H<1>,2|N<2>}	P[6](C[6a]C[6a]2)2(N[6]P[6])2{2|Cl<1>,1|N<2>,2|O<2>,4|C<3>,4|H<1>}	120.2505	1.800	16	120.4806	1.428	195	120.4630	1.386	223	120.4277	1.723	258	120.3343	3.672	928	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6a]	C[6a]	P[6]	4:3:3:	3:3:1:	3:3:2:2:	P[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:S[6]-2:N[6]-2:	C[6a](P[6]C[6a]N[6]S[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H)	P[6](C[6a]C[6a]2)2(S[6]Ga[6])(N[6]P[6])	C[6a](P[6]C[6a]N[6]S[6])(C[6a]C[6a]H)2{1|Ga<4>,1|P<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H){1|N<2>,1|S<2>,2|C<3>,2|H<1>}	P[6](C[6a]C[6a]2)2(S[6]Ga[6])(N[6]P[6]){1|Cl<1>,1|C<4>,1|S<2>,4|H<1>,6|C<3>}	120.1907	1.714	8	120.1430	3.243	19	120.1586	2.808	27	120.4277	1.723	258	120.3343	3.672	928	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6a]	C[6a]	P[6]	4:3:3:	3:3:1:	3:3:2:2:	P[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:S[6]-2:N[6]-2:	C[6a](P[6]C[6a]N[6]S[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H)	P[6](C[6a]C[6a]2)2(S[6]Ga[6])(N[6]P[6])	C[6a](P[6]C[6a]N[6]S[6])(C[6a]C[6a]H)2{1|Ga<4>,1|P<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H){1|N<2>,1|S<2>,2|C<3>,2|H<1>}	P[6](C[6a]C[6a]2)2(S[6]Ga[6])(N[6]P[6]){2|Cl<1>,1|S<2>,2|C<4>,4|C<3>,4|H<1>}	120.1675	2.356	4	120.1430	3.243	19	120.1586	2.808	27	120.4277	1.723	258	120.3343	3.672	928	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6a]	C[6a]	P[6]	4:3:3:	3:3:1:	3:3:2:2:	P[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:S[6]-2:N[6]-2:	C[6a](P[6]C[6a]N[6]S[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H)	P[6](C[6a]C[6a]2)2(S[6]Ga[6])(N[6]P[6])	C[6a](P[6]C[6a]N[6]S[6])(C[6a]C[6a]H)2{1|Ga<4>,1|P<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H){1|N<2>,1|S<2>,2|C<3>,2|H<1>}	P[6](C[6a]C[6a]2)2(S[6]Ga[6])(N[6]P[6]){2|Cl<1>,1|S<2>,4|H<1>,6|C<3>}	120.0744	1.876	7	120.1430	3.243	19	120.1586	2.808	27	120.4277	1.723	258	120.3343	3.672	928	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6a]	C[6a]	P[6]	4:3:3:	3:3:1:	3:3:2:2:	P[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:S[6]-2:N[6]-2:	C[6a](P[6]C[6a]N[6]S[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H)	P[6](C[6a]C[6a]2)2(S[6]In[6])(N[6]P[6])	C[6a](P[6]C[6a]N[6]S[6])(C[6a]C[6a]H)2{1|In<4>,1|P<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H){1|N<2>,1|S<2>,2|C<3>,2|H<1>}	P[6](C[6a]C[6a]2)2(S[6]In[6])(N[6]P[6]){1|S<2>,2|I<1>,4|H<1>,6|C<3>}	120.1955	1.445	8	120.1955	2.088	8	120.1586	2.808	27	120.4277	1.723	258	120.3343	3.672	928	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6a]	C[6a]	P[6]	4:3:3:	3:3:1:	3:3:2:2:	P[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:Se[6]-2:N[6]-2:	C[6a](P[6]C[6a]Se[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H)	P[6](C[6a]C[6a]2)2(Se[6]Se[6])(N[6]P[6])	C[6a](P[6]C[6a]Se[6]N[6])(C[6a]C[6a]H)2{1|Se<2>,1|P<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H){1|Se<2>,1|N<2>,2|C<3>,2|H<1>}	P[6](C[6a]C[6a]2)2(Se[6]Se[6])(N[6]P[6]){1|Se<2>,4|H<1>,6|C<3>}	120.3496	2.925	8	120.3496	8.557	8	120.3496	8.557	8	120.4277	1.723	258	120.3343	3.672	928	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6a]	C[6a]	P[6]	4:3:3:	3:3:1:	3:3:3:1:	P[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:O-1:	C[6a](P[6]C[6,6a]2O)(C[6a]C[6a]F)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(F)	P[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(O)	C[6a](P[6]C[6,6a]2O)(C[6a]C[6a]F)(C[6a]C[6a]O){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(F){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	P[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(O){2|F<1>,3|O<2>,6|C<3>}	122.5350	0.000	1	122.5350	0.000	1	122.5350	0.000	1	120.2231	2.270	29	120.3343	3.672	928	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6a]	C[6a]	P[6]	4:3:3:	3:3:1:	3:3:3:1:	P[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6]-3:C[6a]-3:O-1:	C[6a](P[6]C[5,6]2O)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H)	P[6](C[5,6]C[5,6]S[5])2(C[6a]C[6a]2)(O)	C[6a](P[6]C[5,6]2O)(C[6a]C[6a]H)2{2|H<1>,2|S<2>,3|C<3>}	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H){1|O<1>,2|H<1>,3|C<3>}	P[6](C[5,6]C[5,6]S[5])2(C[6a]C[6a]2)(O){1|P<4>,2|H<1>,2|S<2>,4|C<3>}	119.8605	2.292	2	119.8605	5.252	2	119.8605	5.252	2	120.2231	2.270	29	120.3343	3.672	928	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6a]	C[6a]	P[6]	4:3:3:	3:3:1:	3:3:3:1:	P[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-3:C[6a]-3:O-1:	C[6a](P[6]C[6,6a]C[6,6]O)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H)	P[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(O)	C[6a](P[6]C[6,6a]C[6,6]O)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H){1|O<1>,2|H<1>,3|C<3>}	P[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(O){4|H<1>,7|C<3>}	119.9500	1.536	2	119.9500	2.359	2	119.9500	2.359	2	120.2231	2.270	29	120.3343	3.672	928	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6a]	C[6a]	P[6]	4:3:3:	3:3:1:	3:3:3:1:	P[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:O-1:	C[6a](P[6]C[6,6a]2O)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H)	P[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(O)	C[6a](P[6]C[6,6a]2O)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H){1|O<1>,2|H<1>,3|C<3>}	P[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(O){1|C<4>,4|H<1>,6|C<3>}	119.6310	1.731	2	119.9670	2.877	4	119.9670	2.877	4	120.2231	2.270	29	120.3343	3.672	928	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6a]	C[6a]	P[6]	4:3:3:	3:3:1:	3:3:3:1:	P[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:O-1:	C[6a](P[6]C[6,6a]2O)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H)	P[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(O)	C[6a](P[6]C[6,6a]2O)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H){1|O<1>,2|H<1>,3|C<3>}	P[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(O){1|N<3>,4|H<1>,6|C<3>}	120.3030	2.277	2	119.9670	2.877	4	119.9670	2.877	4	120.2231	2.270	29	120.3343	3.672	928	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6a]	C[6a]	P[6]	4:3:3:	3:3:1:	3:3:3:1:	P[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:S-1:	C[6a](P[6]C[6,6a]2S)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H)	P[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(S)	C[6a](P[6]C[6,6a]2S)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H){1|S<1>,2|H<1>,3|C<3>}	P[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(S){1|B<3>,4|H<1>,6|C<3>}	120.2410	0.498	4	120.2410	0.248	4	120.2410	0.248	4	120.2231	2.270	29	120.3343	3.672	928	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6a]	C[6a]	P[6]	4:3:3:	3:3:1:	3:3:3:1:	P[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:Se-1:	C[6a](P[6]C[6,6a]2Se)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H)	P[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(Se)	C[6a](P[6]C[6,6a]2Se)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H){1|Se<1>,2|H<1>,3|C<3>}	P[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(Se){1|B<3>,4|H<1>,6|C<3>}	120.3125	0.616	4	120.3125	0.379	4	120.3125	0.379	4	120.2231	2.270	29	120.3343	3.672	928	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6a]	C[6a]	P[6]	4:3:3:	3:3:1:	3:3:3:1:	P[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:O-1:	C[6a](P[6]C[6,6a]C[6]O)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H)	P[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6a](P[6]C[6,6a]C[6]O)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H){1|O<1>,2|H<1>,3|C<3>}	P[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]2)(O){1|C<4>,1|P<4>,4|H<1>,5|C<3>}	120.1510	2.623	4	120.1510	6.882	4	120.1709	4.339	10	120.2231	2.270	29	120.3343	3.672	928	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6a]	C[6a]	P[6]	4:3:3:	3:3:1:	3:3:3:1:	P[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:O-1:	C[6a](P[6]C[6,6a]C[6]O)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H)	P[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(O)	C[6a](P[6]C[6,6a]C[6]O)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H){1|O<1>,2|H<1>,3|C<3>}	P[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(O){1|C<4>,4|C<3>,4|H<1>}	120.1180	2.160	2	120.1180	4.663	2	120.1709	4.339	10	120.2231	2.270	29	120.3343	3.672	928	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6a]	C[6a]	P[6]	4:3:3:	3:3:1:	3:3:3:1:	P[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:O-1:	C[6a](P[6]C[6,6a]C[6]O)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H)	P[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(O)	C[6a](P[6]C[6,6a]C[6]O)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H){1|O<1>,2|H<1>,3|C<3>}	P[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(O){1|C<4>,4|C<3>,4|H<1>}	120.2173	2.139	4	120.2173	4.576	4	120.1709	4.339	10	120.2231	2.270	29	120.3343	3.672	928	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6a]	C[6a]	P[6]	4:3:3:	3:3:1:	3:3:3:1:	P[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:S-1:	C[6a](P[6]C[6,6a]N[6]S)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]C)(H)	P[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C[6a])(C[6a]C[6a]2)(S)	C[6a](P[6]C[6,6a]N[6]S)(C[6a]C[6a]H)2{1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]C)(H){1|N<3>,1|S<1>,2|C<3>,2|H<1>}	P[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C[6a])(C[6a]C[6a]2)(S){3|H<1>,8|C<3>}	119.8700	0.000	1	119.8700	0.000	1	120.2615	0.307	2	120.2231	2.270	29	120.3343	3.672	928	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6a]	C[6a]	P[6]	4:3:3:	3:3:1:	3:3:3:1:	P[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:S-1:	C[6a](P[6]C[6,6a]N[6]S)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H)	P[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C[6a])(C[6a]C[6a]2)(S)	C[6a](P[6]C[6,6a]N[6]S)(C[6a]C[6a]H)2{1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H){1|N<3>,1|S<1>,2|C<3>,2|H<1>}	P[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C[6a])(C[6a]C[6a]2)(S){3|H<1>,8|C<3>}	120.6530	0.000	1	120.6530	0.000	1	120.2615	0.307	2	120.2231	2.270	29	120.3343	3.672	928	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6a]	C[6a]	P[6]	4:3:3:	3:3:1:	3:3:3:2:	P[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[6a]-3:C[6a]-3:Ge[6]-2:	C[6a](P[6]C[5,6]C[6a]Ge[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H)	P[6](C[5,6]Ge[5,5,6]P[5])(C[6a]C[6a]2)2(Ge[6]C[6])	C[6a](P[6]C[5,6]C[6a]Ge[6])(C[6a]C[6a]H)2{1|Ge<4>,1|P<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H){1|Ge<2>,2|H<1>,3|C<3>}	P[6](C[5,6]Ge[5,5,6]P[5])(C[6a]C[6a]2)2(Ge[6]C[6]){1|Ge<3>,1|N<3>,2|P<4>,4|H<1>,7|C<3>}	121.1010	1.134	4	121.1010	1.287	4	121.1010	1.287	4	120.3825	4.097	52	120.3343	3.672	928	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6a]	C[6a]	P[6]	4:3:3:	3:3:1:	3:3:3:2:	P[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6a]-3:P[6]-2:	C[6a](P[6]C[6,6a]C[6a]P[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H)	P[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]2)2(P[6]P[6])	C[6a](P[6]C[6,6a]C[6a]P[6])(C[6a]C[6a]H)2{1|P<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H){1|P<2>,2|H<1>,3|C<3>}	P[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]2)2(P[6]P[6]){5|H<1>,9|C<3>}	120.1333	1.986	8	120.1333	3.946	8	120.1333	3.946	8	120.3825	4.097	52	120.3343	3.672	928	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6a]	C[6a]	P[6]	4:3:3:	3:3:1:	3:3:3:2:	P[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:C[6a]-3:S[6]-2:	C[6a](P[6]C[6a]C[6]S[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H)	P[6](C[6]Ga[6]P[6])(C[6a]C[6a]2)2(S[6]Ga[6])	C[6a](P[6]C[6a]C[6]S[6])(C[6a]C[6a]H)2{2|Ga<4>,1|P<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H){1|S<2>,2|H<1>,3|C<3>}	P[6](C[6]Ga[6]P[6])(C[6a]C[6a]2)2(S[6]Ga[6]){2|Cl<1>,3|S<2>,4|H<1>,7|C<3>}	120.3800	1.054	8	120.3800	1.111	8	120.4809	0.714	16	120.3825	4.097	52	120.3343	3.672	928	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6a]	C[6a]	P[6]	4:3:3:	3:3:1:	3:3:3:2:	P[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:C[6a]-3:S[6]-2:	C[6a](P[6]C[6a]C[6]S[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H)	P[6](C[6]In[6]P[6])(C[6a]C[6a]2)2(S[6]In[6])	C[6a](P[6]C[6a]C[6]S[6])(C[6a]C[6a]H)2{2|In<4>,1|P<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H){1|S<2>,2|H<1>,3|C<3>}	P[6](C[6]In[6]P[6])(C[6a]C[6a]2)2(S[6]In[6]){2|Cl<1>,3|S<2>,4|H<1>,7|C<3>}	120.5819	0.630	8	120.5819	0.397	8	120.4809	0.714	16	120.3825	4.097	52	120.3343	3.672	928	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6a]	C[6a]	P[6]	4:3:3:	3:3:1:	3:3:3:2:	P[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-3:S[6]-2:	C[6a](P[6]C[6a]C[6]S[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H)	P[6](C[6a]C[6a]2)2(C[6]S[6]P)(S[6]P[6])	C[6a](P[6]C[6a]C[6]S[6])(C[6a]C[6a]H)2{1|S<2>,2|H<1>,2|P<4>,3|C<3>}	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H){1|S<2>,2|H<1>,3|C<3>}	P[6](C[6a]C[6a]2)2(C[6]S[6]P)(S[6]P[6]){4|H<1>,7|C<3>}	120.2564	1.856	8	120.2564	3.444	8	120.2564	3.444	8	120.3825	4.097	52	120.3343	3.672	928	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6a]	C[6a]	P[6]	4:3:3:	3:3:1:	3:3:3:2:	P[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[6]-3:C[6a]-3:C[6a]-3:N[6]-2:	C[6a](P[6]C[6a]N[6]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H)	P[6](N[6]C[6a]B[6])(C[6a]C[6a]2)2(N[6]P[6])	C[6a](P[6]C[6a]N[6]2)(C[6a]C[6a]H)2{1|B<3>,1|P<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	P[6](N[6]C[6a]B[6])(C[6a]C[6a]2)2(N[6]P[6]){1|N<3>,1|S<1>,4|H<1>,8|C<3>}	120.2935	3.364	8	120.2921	9.313	16	120.2921	9.313	16	120.3825	4.097	52	120.3343	3.672	928	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6a]	C[6a]	P[6]	4:3:3:	3:3:1:	3:3:3:2:	P[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[6]-3:C[6a]-3:C[6a]-3:N[6]-2:	C[6a](P[6]C[6a]N[6]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H)	P[6](N[6]C[6a]B[6])(C[6a]C[6a]2)2(N[6]P[6])	C[6a](P[6]C[6a]N[6]2)(C[6a]C[6a]H)2{1|B<3>,1|P<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	P[6](N[6]C[6a]B[6])(C[6a]C[6a]2)2(N[6]P[6]){1|Se<1>,1|N<3>,4|H<1>,8|C<3>}	120.2908	2.939	8	120.2921	9.313	16	120.2921	9.313	16	120.3825	4.097	52	120.3343	3.672	928	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6a]	C[6a]	P[6]	4:3:3:	3:3:1:	3:3:3:3:	P[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-3:C[6a]-3:C[6a]-3:	C[6a](P[6]C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H)	P[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6])(C[6a]C[6a]2)2	C[6a](P[6]C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H){2|H<1>,4|C<3>}	P[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6])(C[6a]C[6a]2)2{1|N<3>,1|P<4>,6|H<1>,7|C<3>}	119.9804	1.152	8	119.9804	1.327	8	119.9804	1.327	8	120.2603	4.106	102	120.3343	3.672	928	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6a]	C[6a]	P[6]	4:3:3:	3:3:1:	3:3:3:3:	P[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6a](P[6]C[6,6a]2C[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H)	P[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2	C[6a](P[6]C[6,6a]2C[6a])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H){2|H<1>,4|C<3>}	P[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2{1|O<2>,5|H<1>,9|C<3>}	119.9205	0.902	4	119.9205	0.813	4	119.8083	0.896	12	120.2603	4.106	102	120.3343	3.672	928	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6a]	C[6a]	P[6]	4:3:3:	3:3:1:	3:3:3:3:	P[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6a](P[6]C[6,6a]2C[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H)	P[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)2	C[6a](P[6]C[6,6a]2C[6a])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H){2|H<1>,4|C<3>}	P[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)2{1|C<4>,6|H<1>,8|C<3>}	119.7523	1.024	8	119.7523	1.049	8	119.8083	0.896	12	120.2603	4.106	102	120.3343	3.672	928	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6a]	C[6a]	P[6]	4:3:3:	3:3:1:	3:3:3:3:	P[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6a]-3:C[6]-3:	C[6a](P[6]C[6,6a]C[6a]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H)	P[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(C[6]C[6]C)	C[6a](P[6]C[6,6a]C[6a]C[6])(C[6a]C[6a]H)2{1|C<2>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H){2|H<1>,4|C<3>}	P[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(C[6]C[6]C){6|H<1>,7|C<3>}	120.3780	1.280	4	120.2267	2.365	8	120.1077	6.843	12	120.2603	4.106	102	120.3343	3.672	928	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6a]	C[6a]	P[6]	4:3:3:	3:3:1:	3:3:3:3:	P[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6a]-3:C[6]-3:	C[6a](P[6]C[6,6a]C[6a]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H)	P[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(C[6]C[6]C)	C[6a](P[6]C[6,6a]C[6a]C[6])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H){2|H<1>,4|C<3>}	P[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(C[6]C[6]C){6|H<1>,7|C<3>}	120.0755	1.954	4	120.2267	2.365	8	120.1077	6.843	12	120.2603	4.106	102	120.3343	3.672	928	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6a]	C[6a]	P[6]	4:3:3:	3:3:1:	3:3:3:3:	P[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6a]-3:C[6]-3:	C[6a](P[6]C[6,6a]C[6a]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H)	P[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(C[6]C[6]H)	C[6a](P[6]C[6,6a]C[6a]C[6])(C[6a]C[6a]H)2{3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H){2|H<1>,4|C<3>}	P[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(C[6]C[6]H){1|N<3>,5|H<1>,7|C<3>}	119.8695	4.411	4	119.8695	19.459	4	120.1077	6.843	12	120.2603	4.106	102	120.3343	3.672	928	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6a]	C[6a]	P[6]	4:3:3:	3:3:1:	3:3:3:3:	P[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6a]-3:Ge[6]-3:	C[6a](P[6]C[6,6a]C[6a]Ge[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H)	P[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(Ge[6]N[6]Cl)	C[6a](P[6]C[6,6a]C[6a]Ge[6])(C[6a]C[6a]H)2{1|Cl<1>,1|N<3>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H){1|Ge<3>,2|H<1>,3|C<3>}	P[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(Ge[6]N[6]Cl){1|C<4>,5|H<1>,7|C<3>}	120.2622	2.621	4	120.2622	6.868	4	120.2622	6.868	4	120.2603	4.106	102	120.3343	3.672	928	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6a]	C[6a]	P[6]	4:3:3:	3:3:1:	3:3:3:3:	P[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6,6]-3:C[6a]-3:C[6a]-3:	C[6a](P[6]C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H)	P[6](C[6,6a]C[6,6a]C[6a])(N[6,6]In[3x6]C[6])(C[6a]C[6a]2)2	C[6a](P[6]C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)2{1|In<5>,1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	P[6](C[6,6a]C[6,6a]C[6a])(N[6,6]In[3x6]C[6])(C[6a]C[6a]2)2{1|C<4>,1|N<3>,3|O<2>,6|C<3>,7|H<1>}	120.4098	2.269	8	120.4098	5.150	8	120.4098	5.150	8	120.2603	4.106	102	120.3343	3.672	928	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6a]	C[6a]	P[6]	4:3:3:	3:3:1:	3:3:3:3:	P[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-3:C[6]-3:	C[6a](P[6]C[6a]C[6]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H)	P[6](C[6a]C[6a]2)2(C[6]C[6]C)2	C[6a](P[6]C[6a]C[6]2)(C[6a]C[6a]H)2{2|C<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H){2|H<1>,4|C<3>}	P[6](C[6a]C[6a]2)2(C[6]C[6]C)2{5|C<3>,6|H<1>}	119.9292	1.372	14	119.9292	1.882	14	119.9292	1.882	14	120.2603	4.106	102	120.3343	3.672	928	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6a]	C[6a]	P[6]	4:3:3:	3:3:1:	3:3:3:3:	P[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[6]-3:C[6a]-3:C[6a]-3:C[6]-3:	C[6a](P[6]C[6a]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H)	P[6](N[6]C[6a]B[6])(C[6a]C[6a]2)2(C[6]C[6]P)	C[6a](P[6]C[6a]C[6]N[6])(C[6a]C[6a]H)2{1|B<4>,1|P<3>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	P[6](N[6]C[6a]B[6])(C[6a]C[6a]2)2(C[6]C[6]P){2|N<3>,4|H<1>,8|C<3>}	120.3010	1.935	4	120.3010	3.744	4	120.5542	5.356	44	120.2603	4.106	102	120.3343	3.672	928	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6a]	C[6a]	P[6]	4:3:3:	3:3:1:	3:3:3:3:	P[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[6]-3:C[6a]-3:C[6a]-3:C[6]-3:	C[6a](P[6]C[6a]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H)	P[6](N[6]C[6a]B[6])(C[6a]C[6a]2)2(C[6]P[6]C)	C[6a](P[6]C[6a]C[6]N[6])(C[6a]C[6a]H)2{1|B<4>,1|P<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	P[6](N[6]C[6a]B[6])(C[6a]C[6a]2)2(C[6]P[6]C){10|C<3>,1|N<3>,4|H<1>}	120.4937	2.021	8	120.4937	4.085	8	120.5542	5.356	44	120.2603	4.106	102	120.3343	3.672	928	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6a]	C[6a]	P[6]	4:3:3:	3:3:1:	3:3:3:3:	P[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[6]-3:C[6a]-3:C[6a]-3:C[6]-3:	C[6a](P[6]C[6a]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H)	P[6](N[6]C[6a]B[6])(C[6a]C[6a]2)2(C[6]P[6]Cl)	C[6a](P[6]C[6a]C[6]N[6])(C[6a]C[6a]H)2{1|Cl<1>,1|B<4>,1|P<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	P[6](N[6]C[6a]B[6])(C[6a]C[6a]2)2(C[6]P[6]Cl){1|N<3>,6|H<1>,8|C<3>}	120.5076	2.760	8	120.5076	7.615	8	120.5542	5.356	44	120.2603	4.106	102	120.3343	3.672	928	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6a]	C[6a]	P[6]	4:3:3:	3:3:1:	3:3:3:3:	P[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[6]-3:C[6a]-3:C[6a]-3:C[6]-3:	C[6a](P[6]C[6a]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H)	P[6](N[6]C[6a]Ga[6])(C[6a]C[6a]2)2(C[6]P[6]H)	C[6a](P[6]C[6a]C[6]N[6])(C[6a]C[6a]H)2{1|Ga<2>,1|P<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	P[6](N[6]C[6a]Ga[6])(C[6a]C[6a]2)2(C[6]P[6]H){1|N<3>,4|H<1>,8|C<3>}	120.8512	2.974	8	120.5293	6.825	16	120.5542	5.356	44	120.2603	4.106	102	120.3343	3.672	928	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6a]	C[6a]	P[6]	4:3:3:	3:3:1:	3:3:3:3:	P[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[6]-3:C[6a]-3:C[6a]-3:C[6]-3:	C[6a](P[6]C[6a]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H)	P[6](N[6]C[6a]Ga[6])(C[6a]C[6a]2)2(C[6]P[6]H)	C[6a](P[6]C[6a]C[6]N[6])(C[6a]C[6a]H)2{1|Ga<4>,1|P<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	P[6](N[6]C[6a]Ga[6])(C[6a]C[6a]2)2(C[6]P[6]H){1|N<3>,2|I<1>,4|H<1>,8|C<3>}	120.2074	2.355	8	120.5293	6.825	16	120.5542	5.356	44	120.2603	4.106	102	120.3343	3.672	928	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6a]	C[6a]	P[6]	4:3:3:	3:3:1:	3:3:3:3:	P[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[6]-3:C[6a]-3:C[6a]-3:C[6]-3:	C[6a](P[6]C[6a]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H)	P[6](N[6]C[6a]In[6])(C[6a]C[6a]2)2(C[6]P[6]H)	C[6a](P[6]C[6a]C[6]N[6])(C[6a]C[6a]H)2{1|In<2>,1|P<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	P[6](N[6]C[6a]In[6])(C[6a]C[6a]2)2(C[6]P[6]H){1|N<3>,4|H<1>,8|C<3>}	120.8375	2.198	8	120.8375	4.832	8	120.5542	5.356	44	120.2603	4.106	102	120.3343	3.672	928	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6a]	C[6a]	P[6]	4:3:3:	3:3:1:	3:3:3:4:	P[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:B-4:	C[6a](P[6]C[6,6a]2B)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H)	P[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(BH3)	C[6a](P[6]C[6,6a]2B)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H){1|B<4>,2|H<1>,3|C<3>}	P[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(BH3){1|N<3>,4|H<1>,6|C<3>}	120.5370	2.252	4	120.5370	5.071	4	120.5370	5.071	4	120.1441	6.547	36	120.3343	3.672	928	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6a]	C[6a]	P[6]	4:3:3:	3:3:1:	3:3:3:4:	P[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6a]-3:B[6]-4:	C[6a](P[6]C[6,6a]C[6a]B[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H)	P[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]2)2(B[6]P[6]HH)	C[6a](P[6]C[6,6a]C[6a]B[6])(C[6a]C[6a]H)2{1|P<4>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H){1|B<4>,2|H<1>,3|C<3>}	P[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]2)2(B[6]P[6]HH){5|H<1>,9|C<3>}	120.1151	1.743	8	120.1151	3.037	8	120.1151	3.037	8	120.1441	6.547	36	120.3343	3.672	928	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6a]	C[6a]	P[6]	4:3:3:	3:3:1:	3:3:3:4:	P[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6a]-3:C[6]-4:	C[6a](P[6]C[6,6a]C[6a]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H)	P[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(C[6]C[6]HH)	C[6a](P[6]C[6,6a]C[6a]C[6])(C[6a]C[6a]H)2{1|C<4>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	P[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(C[6]C[6]HH){1|N<3>,1|O<2>,6|C<3>,6|H<1>}	119.9848	1.507	4	120.0348	1.487	16	119.9906	1.791	20	120.1441	6.547	36	120.3343	3.672	928	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6a]	C[6a]	P[6]	4:3:3:	3:3:1:	3:3:3:4:	P[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6a]-3:C[6]-4:	C[6a](P[6]C[6,6a]C[6a]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H)	P[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(C[6]C[6]HH)	C[6a](P[6]C[6,6a]C[6a]C[6])(C[6a]C[6a]H)2{1|C<4>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	P[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(C[6]C[6]HH){1|N<3>,6|C<3>,7|H<1>}	119.9535	1.263	4	120.0348	1.487	16	119.9906	1.791	20	120.1441	6.547	36	120.3343	3.672	928	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6a]	C[6a]	P[6]	4:3:3:	3:3:1:	3:3:3:4:	P[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6a]-3:C[6]-4:	C[6a](P[6]C[6,6a]C[6a]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H)	P[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(C[6]C[6]HH)	C[6a](P[6]C[6,6a]C[6a]C[6])(C[6a]C[6a]H)2{1|C<4>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	P[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(C[6]C[6]HH){1|P<4>,6|C<3>,7|H<1>}	120.1005	1.233	8	120.0348	1.487	16	119.9906	1.791	20	120.1441	6.547	36	120.3343	3.672	928	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6a]	C[6a]	P[6]	4:3:3:	3:3:1:	3:3:3:4:	P[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6a]-3:C[6]-4:	C[6a](P[6]C[6,6a]C[6a]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H)	P[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(C[6]O[6]HH)	C[6a](P[6]C[6,6a]C[6a]C[6])(C[6a]C[6a]H)2{1|O<2>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	P[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(C[6]O[6]HH){1|B<4>,5|H<1>,6|C<3>}	119.8137	1.963	4	119.8137	3.855	4	119.9906	1.791	20	120.1441	6.547	36	120.3343	3.672	928	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6a]	C[6a]	P[6]	4:3:3:	3:3:1:	3:3:3:4:	P[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5,6]-3:C[6,6a]-3:C[6a]-3:C-4:	C[6a](P[6]C[6,6a]N[5,6]C)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H)	P[6](N[5,6]In[5,5,6,6]C[5])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(CC3)	C[6a](P[6]C[6,6a]N[5,6]C)(C[6a]C[6a]H)2{1|In<6>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	P[6](N[5,6]In[5,5,6,6]C[5])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(CC3){1|C<4>,1|N<3>,4|C<3>,4|O<2>,5|H<1>}	120.5765	7.229	4	120.5765	52.263	4	120.5765	52.263	4	120.1441	6.547	36	120.3343	3.672	928	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6a]	C[6a]	P[6]	4:3:3:	3:3:1:	3:3:4:2:	P[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:C[6]-4:N[6]-2:	C[6a](P[6]C[6a]C[6]N[6])(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]F)(F)	P[6](C[6a]C[6a]2)2(C[6]B[6]CH)(N[6]N[6])	C[6a](P[6]C[6a]C[6]N[6])(C[6a]C[6a]F)2{1|B<4>,1|C<4>,1|H<1>,1|N<2>,2|F<1>,3|C<3>}	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]F)(F){1|C<4>,1|N<2>,2|C<3>,2|F<1>}	P[6](C[6a]C[6a]2)2(C[6]B[6]CH)(N[6]N[6]){1|N<3>,4|F<1>,6|C<3>}	122.1235	4.055	4	122.1235	16.446	4	122.1235	16.446	4	120.1475	3.118	68	120.3343	3.672	928	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6a]	C[6a]	P[6]	4:3:3:	3:3:1:	3:3:4:2:	P[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:O[6]-2:	C[6a](P[6]C[6a]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H)	P[6](C[6a]C[6a]2)2(C[6]P[6]HH)(O[6]B[6])	C[6a](P[6]C[6a]C[6]O[6])(C[6a]C[6a]H)2{1|B<4>,1|P<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	P[6](C[6a]C[6a]2)2(C[6]P[6]HH)(O[6]B[6]){1|O<2>,2|F<1>,4|H<1>,6|C<3>}	119.5860	0.772	8	119.5860	0.597	8	119.7998	2.732	16	120.1475	3.118	68	120.3343	3.672	928	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6a]	C[6a]	P[6]	4:3:3:	3:3:1:	3:3:4:2:	P[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:O[6]-2:	C[6a](P[6]C[6a]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H)	P[6](C[6a]C[6a]2)2(C[6]P[6]HH)(O[6]Nb[6])	C[6a](P[6]C[6a]C[6]O[6])(C[6a]C[6a]H)2{1|Nb<6>,1|P<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	P[6](C[6a]C[6a]2)2(C[6]P[6]HH)(O[6]Nb[6]){1|O<1>,1|O<2>,3|F<1>,4|H<1>,6|C<3>}	120.0135	2.270	8	120.0135	5.153	8	119.7998	2.732	16	120.1475	3.118	68	120.3343	3.672	928	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6a]	C[6a]	P[6]	4:3:3:	3:3:1:	3:3:4:2:	P[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:P[6]-2:	C[6a](P[6]C[6a]C[6]P[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H)	P[6](C[6a]C[6a]2)2(C[6]C[6]HH)(P[6]P[6])	C[6a](P[6]C[6a]C[6]P[6])(C[6a]C[6a]H)2{1|C<4>,1|P<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H){1|C<4>,1|P<2>,2|C<3>,2|H<1>}	P[6](C[6a]C[6a]2)2(C[6]C[6]HH)(P[6]P[6]){1|C<4>,6|C<3>,6|H<1>}	120.0987	1.466	48	120.0987	2.148	48	120.0987	2.148	48	120.1475	3.118	68	120.3343	3.672	928	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6a]	C[6a]	P[6]	4:3:3:	3:3:1:	3:3:4:3:	P[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:C[6]-4:C[6]-3:	C[6a](P[6]C[6a]C[6]2)(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]F)(F)	P[6](C[6a]C[6a]2)2(C[6]C[6]CH)(C[6]C[6]C)	C[6a](P[6]C[6a]C[6]2)(C[6a]C[6a]F)2{1|H<1>,2|C<4>,2|F<1>,5|C<3>}	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]F)(F){1|C<4>,2|F<1>,3|C<3>}	P[6](C[6a]C[6a]2)2(C[6]C[6]CH)(C[6]C[6]C){1|B<4>,3|H<1>,4|C<3>,4|F<1>}	121.7368	1.087	4	121.7368	1.181	4	121.7368	1.181	4	120.4561	3.751	52	120.3343	3.672	928	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6a]	C[6a]	P[6]	4:3:3:	3:3:1:	3:3:4:3:	P[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:C[6]-3:	C[6a](P[6]C[6a]C[6]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H)	P[6](C[6a]C[6a]2)2(C[6]C[6]HH)(C[6]P[6]Ga)	C[6a](P[6]C[6a]C[6]2)(C[6a]C[6a]H)2{1|Ga<4>,1|C<4>,1|P<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	P[6](C[6a]C[6a]2)2(C[6]C[6]HH)(C[6]P[6]Ga){1|C<4>,6|C<3>,6|H<1>}	120.2793	2.643	8	120.2793	6.985	8	120.2793	6.985	8	120.4561	3.751	52	120.3343	3.672	928	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6a]	C[6a]	P[6]	4:3:3:	3:3:1:	3:3:4:3:	P[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:Ge[6]-3:	C[6a](P[6]C[6a]Ge[6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H)	P[6](C[6a]C[6a]2)2(C[6]B[6]HH)(Ge[6]P[6]C)	C[6a](P[6]C[6a]Ge[6]C[6])(C[6a]C[6a]H)2{1|B<4>,1|C<4>,1|P<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H){1|Ge<3>,1|C<4>,2|C<3>,2|H<1>}	P[6](C[6a]C[6a]2)2(C[6]B[6]HH)(Ge[6]P[6]C){1|C<4>,4|H<1>,8|C<3>}	120.5121	1.836	8	120.5121	3.373	8	120.5121	3.373	8	120.4561	3.751	52	120.3343	3.672	928	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6a]	C[6a]	P[6]	4:3:3:	3:3:1:	3:3:4:3:	P[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:P[6]-3:	C[6a](P[6]C[6a]C[6]P[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H)	P[6](C[6a]C[6a]2)2(C[6]B[6]HH)(P[6]P[6]Cr)	C[6a](P[6]C[6a]C[6]P[6])(C[6a]C[6a]H)2{1|Cr<6>,1|B<4>,1|P<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H){1|C<4>,1|P<3>,2|C<3>,2|H<1>}	P[6](C[6a]C[6a]2)2(C[6]B[6]HH)(P[6]P[6]Cr){1|C<4>,4|H<1>,8|C<3>}	120.2634	1.965	8	120.2634	3.862	8	120.3263	3.480	32	120.4561	3.751	52	120.3343	3.672	928	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6a]	C[6a]	P[6]	4:3:3:	3:3:1:	3:3:4:3:	P[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:P[6]-3:	C[6a](P[6]C[6a]C[6]P[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H)	P[6](C[6a]C[6a]2)2(C[6]B[6]HH)(P[6]P[6]Fe)	C[6a](P[6]C[6a]C[6]P[6])(C[6a]C[6a]H)2{1|Fe<5>,1|B<4>,1|P<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H){1|C<4>,1|P<3>,2|C<3>,2|H<1>}	P[6](C[6a]C[6a]2)2(C[6]B[6]HH)(P[6]P[6]Fe){1|C<4>,4|H<1>,8|C<3>}	120.3702	2.280	8	120.3702	5.200	8	120.3263	3.480	32	120.4561	3.751	52	120.3343	3.672	928	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6a]	C[6a]	P[6]	4:3:3:	3:3:1:	3:3:4:3:	P[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:P[6]-3:	C[6a](P[6]C[6a]C[6]P[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H)	P[6](C[6a]C[6a]2)2(C[6]B[6]HH)(P[6]P[6]Mo)	C[6a](P[6]C[6a]C[6]P[6])(C[6a]C[6a]H)2{1|Mo<6>,1|B<4>,1|P<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H){1|C<4>,1|P<3>,2|C<3>,2|H<1>}	P[6](C[6a]C[6a]2)2(C[6]B[6]HH)(P[6]P[6]Mo){1|C<4>,4|H<1>,8|C<3>}	120.3287	1.587	8	120.3287	2.517	8	120.3263	3.480	32	120.4561	3.751	52	120.3343	3.672	928	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6a]	C[6a]	P[6]	4:3:3:	3:3:1:	3:3:4:3:	P[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:P[6]-3:	C[6a](P[6]C[6a]C[6]P[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H)	P[6](C[6a]C[6a]2)2(C[6]B[6]HH)(P[6]P[6]W)	C[6a](P[6]C[6a]C[6]P[6])(C[6a]C[6a]H)2{1|B<4>,1|P<4>,1|W<6>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H){1|C<4>,1|P<3>,2|C<3>,2|H<1>}	P[6](C[6a]C[6a]2)2(C[6]B[6]HH)(P[6]P[6]W){1|C<4>,4|H<1>,8|C<3>}	120.3427	1.956	8	120.3427	3.825	8	120.3263	3.480	32	120.4561	3.751	52	120.3343	3.672	928	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6a]	C[6a]	P[6]	4:3:3:	3:3:1:	3:3:4:4:	P[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:B[6]-4:B-4:	C[6a](P[6]C[6,6a]B[6]B)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H)	P[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]2)(B[6]P[6]HH)(BH3)	C[6a](P[6]C[6,6a]B[6]B)(C[6a]C[6a]H)2{1|P<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H){2|B<4>,2|C<3>,2|H<1>}	P[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]2)(B[6]P[6]HH)(BH3){2|C<4>,3|H<1>,5|C<3>}	120.6840	3.282	2	120.6840	10.774	2	120.6840	10.774	2	120.3889	4.746	38	120.3343	3.672	928	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6a]	C[6a]	P[6]	4:3:3:	3:3:1:	3:3:4:4:	P[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:B[6]-4:C[6]-4:	C[6a](P[6]C[6a]B[6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H)	P[6](C[6a]C[6a]2)2(B[6]C[6]HH)(C[6]B[6]HH)	C[6a](P[6]C[6a]B[6]C[6])(C[6a]C[6a]H)2{1|B<4>,1|C<4>,3|C<3>,6|H<1>}	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H){1|B<4>,1|C<4>,2|C<3>,2|H<1>}	P[6](C[6a]C[6a]2)2(B[6]C[6]HH)(C[6]B[6]HH){1|P<4>,4|C<3>,8|H<1>}	120.5845	1.689	4	120.5845	2.851	4	120.4548	5.125	32	120.3889	4.746	38	120.3343	3.672	928	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6a]	C[6a]	P[6]	4:3:3:	3:3:1:	3:3:4:4:	P[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:B[6]-4:C[6]-4:	C[6a](P[6]C[6a]B[6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H)	P[6](C[6a]C[6a]2)2(B[6]C[6]HH)(C[6]B[6]HP)	C[6a](P[6]C[6a]B[6]C[6])(C[6a]C[6a]H)2{1|B<4>,1|C<4>,1|P<4>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H){1|B<4>,1|C<4>,2|C<3>,2|H<1>}	P[6](C[6a]C[6a]2)2(B[6]C[6]HH)(C[6]B[6]HP){2|P<4>,4|C<3>,7|H<1>}	120.5296	3.360	12	120.5296	11.292	12	120.4548	5.125	32	120.3889	4.746	38	120.3343	3.672	928	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6a]	C[6a]	P[6]	4:3:3:	3:3:1:	3:3:4:4:	P[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:B[6]-4:C[6]-4:	C[6a](P[6]C[6a]B[6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H)	P[6](C[6a]C[6a]2)2(B[6]P[6]HH)(C[6]C[6]HH)	C[6a](P[6]C[6a]B[6]C[6])(C[6a]C[6a]H)2{1|C<4>,1|P<4>,3|C<3>,6|H<1>}	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H){1|B<4>,1|C<4>,2|C<3>,2|H<1>}	P[6](C[6a]C[6a]2)2(B[6]P[6]HH)(C[6]C[6]HH){3|C<4>,4|H<1>,6|C<3>}	120.3664	1.313	16	120.3664	1.723	16	120.4548	5.125	32	120.3889	4.746	38	120.3343	3.672	928	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6a]	C[6a]	P[6]	4:3:3:	3:3:1:	3:3:4:4:	P[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:C[6]-4:	C[6a](P[6]C[6a]C[6]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]C)(H)	P[6](C[6a]C[6a]2)2(C[6]C[6]HH)(C[6]C[6]HO)	C[6a](P[6]C[6a]C[6]2)(C[6a]C[6a]H)2{1|O<2>,3|C<3>,3|H<1>,4|C<4>}	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]C)(H){2|C<3>,2|C<4>,2|H<1>}	P[6](C[6a]C[6a]2)2(C[6]C[6]HH)(C[6]C[6]HO){1|O<2>,1|P<4>,4|C<3>,7|H<1>}	119.7140	1.126	4	119.7140	1.269	4	119.7140	1.269	4	120.3889	4.746	38	120.3343	3.672	928	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6a]	C[6a]	P[6]	4:3:3:	3:3:1:	3:4:2:1:	P[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:O[6]-2:O-1:	C[6a](P[6]C[6]O[6]O)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]Cl)(H)	P[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]C[6])(O)	C[6a](P[6]C[6]O[6]O)(C[6a]C[6a]H)2{1|Cl<1>,1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]Cl)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	P[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]C[6])(O){1|C<4>,2|C<3>,5|H<1>}	120.3625	4.928	2	120.3625	24.283	2	120.1214	6.260	14	120.1214	6.260	14	120.3343	3.672	928	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6a]	C[6a]	P[6]	4:3:3:	3:3:1:	3:4:2:1:	P[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:O[6]-2:O-1:	C[6a](P[6]C[6]O[6]O)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H)	P[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[5,6])(O)	C[6a](P[6]C[6]O[6]O)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	P[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[5,6])(O){1|C<4>,2|C<3>,2|O<2>,4|H<1>}	120.1660	1.037	2	120.1660	1.075	2	120.1214	6.260	14	120.1214	6.260	14	120.3343	3.672	928	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6a]	C[6a]	P[6]	4:3:3:	3:3:1:	3:4:2:1:	P[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:O[6]-2:O-1:	C[6a](P[6]C[6]O[6]O)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H)	P[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]C[6])(O)	C[6a](P[6]C[6]O[6]O)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	P[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]C[6])(O){1|C<4>,2|C<3>,5|H<1>}	120.4080	2.744	2	120.0620	7.301	6	120.1214	6.260	14	120.1214	6.260	14	120.3343	3.672	928	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6a]	C[6a]	P[6]	4:3:3:	3:3:1:	3:4:2:1:	P[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:O[6]-2:O-1:	C[6a](P[6]C[6]O[6]O)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H)	P[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]C[6])(O)	C[6a](P[6]C[6]O[6]O)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	P[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]C[6])(O){1|C<4>,3|C<3>,4|H<1>}	119.9040	3.025	2	120.0620	7.301	6	120.1214	6.260	14	120.1214	6.260	14	120.3343	3.672	928	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6a]	C[6a]	P[6]	4:3:3:	3:3:1:	3:4:2:1:	P[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:O[6]-2:O-1:	C[6a](P[6]C[6]O[6]O)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H)	P[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]C[6])(O)	C[6a](P[6]C[6]O[6]O)(C[6a]C[6a]H)2{1|Cl<1>,1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	P[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]C[6])(O){1|C<4>,2|C<3>,5|H<1>}	119.8740	4.412	2	120.0620	7.301	6	120.1214	6.260	14	120.1214	6.260	14	120.3343	3.672	928	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6a]	C[6a]	P[6]	4:3:3:	3:3:1:	3:4:2:1:	P[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:O[6]-2:O-1:	C[6a](P[6]C[6]O[6]O)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H)	P[6](C[6a]C[6a]2)(C[6]S[6]HH)(O[6]P[6])(O)	C[6a](P[6]C[6]O[6]O)(C[6a]C[6a]H)2{1|C<3>,1|P<4>,1|S<2>,4|H<1>}	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	P[6](C[6a]C[6a]2)(C[6]S[6]HH)(O[6]P[6])(O){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	120.0678	2.541	4	120.0678	6.454	4	120.1214	6.260	14	120.1214	6.260	14	120.3343	3.672	928	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6a]	C[6a]	P[6]	4:3:3:	3:3:1:	3:4:3:1:	P[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[6]-4:C[6a]-3:O-1:	C[6a](P[6]C[5a,6]C[6]O)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H)	P[6](C[5a,6]C[5a,6]S[5a])(C[6]C[5a,6]C[6a]O)(C[6a]C[6a]2)(O)	C[6a](P[6]C[5a,6]C[6]O)(C[6a]C[6a]H)2{1|O<2>,1|S<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	P[6](C[5a,6]C[5a,6]S[5a])(C[6]C[5a,6]C[6a]O)(C[6a]C[6a]2)(O){1|S<2>,2|H<1>,7|C<3>}	120.1420	4.716	2	120.1420	22.244	2	120.1420	22.244	2	120.2973	9.447	6	120.3343	3.672	928	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6a]	C[6a]	P[6]	4:3:3:	3:3:1:	3:4:3:1:	P[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[6]-4:C[6a]-3:S-1:	C[6a](P[6]C[5a,6]C[6]S)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H)	P[6](C[5a,6]C[5a,6]S[5a])(C[6]C[5a,6]C[6a]H)(C[6a]C[6a]2)(S)	C[6a](P[6]C[5a,6]C[6]S)(C[6a]C[6a]H)2{1|S<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H){1|C<4>,1|S<1>,2|C<3>,2|H<1>}	P[6](C[5a,6]C[5a,6]S[5a])(C[6]C[5a,6]C[6a]H)(C[6a]C[6a]2)(S){1|S<2>,2|H<1>,7|C<3>}	120.1710	0.590	2	120.1710	0.348	2	120.1710	0.348	2	120.2973	9.447	6	120.3343	3.672	928	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6a]	C[6a]	P[6]	4:3:3:	3:3:1:	3:4:3:1:	P[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:O-1:	C[6a](P[6]C[6,6a]C[6]O)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H)	P[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)(C[6a]C[6a]2)(O)	C[6a](P[6]C[6,6a]C[6]O)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	P[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)(C[6a]C[6a]2)(O){3|H<1>,6|C<3>}	120.5790	4.940	2	120.5790	24.402	2	120.5790	24.402	2	120.2973	9.447	6	120.3343	3.672	928	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6a]	C[6a]	P[6]	4:3:3:	3:3:1:	3:4:3:3:	P[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:B[6]-4:C[6a]-3:C[6a]-3:	C[6a](P[6]C[6,6a]C[6a]B[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H)	P[6](C[6,6a]C[6,6a]C[6a])(B[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)2	C[6a](P[6]C[6,6a]C[6a]B[6])(C[6a]C[6a]H)2{3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H){1|B<4>,2|H<1>,3|C<3>}	P[6](C[6,6a]C[6,6a]C[6a])(B[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)2{10|C<3>,5|H<1>}	120.0595	0.637	4	120.0595	0.406	4	120.0595	0.406	4	120.0589	0.703	8	120.3343	3.672	928	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6a]	C[6a]	P[6]	4:3:3:	3:3:1:	3:4:3:3:	P[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[3,6]-4:C[6a]-3:C[6a]-3:	C[6a](P[6]C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H)	P[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]C[3]C)(C[6a]C[6a]2)2	C[6a](P[6]C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)2{2|H<1>,3|C<4>,5|C<3>}	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	P[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]C[3]C)(C[6a]C[6a]2)2{1|C<4>,1|N<3>,1|S<2>,6|C<3>,6|H<1>}	120.0583	1.111	4	120.0583	1.234	4	120.0583	1.234	4	120.0589	0.703	8	120.3343	3.672	928	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6a]	C[6a]	P[6]	4:3:3:	3:3:1:	3:4:3:4:	P[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:B-4:	C[6a](P[6]C[6,6a]C[6]B)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H)	P[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(C[6a]C[6a]2)(BH3)	C[6a](P[6]C[6,6a]C[6]B)(C[6a]C[6a]H)2{4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H){1|B<4>,1|C<4>,2|C<3>,2|H<1>}	P[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(C[6a]C[6a]2)(BH3){3|H<1>,6|C<3>}	120.4550	0.818	4	120.4550	0.670	4	120.4550	0.670	4	120.4550	0.670	4	120.3343	3.672	928	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6a]	C[6a]	P[6]	4:3:3:	3:3:1:	4:3:2:1:	P[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:O[6]-2:O-1:	C[6a](P[6]C[6]O[6]O)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H)	P[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(O[6]C[6])(O)	C[6a](P[6]C[6]O[6]O)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,2|O<2>}	P[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(O[6]C[6])(O){1|C<4>,4|C<3>,5|H<1>}	120.7630	5.621	2	120.7630	31.601	2	120.7630	31.601	2	120.1546	6.382	8	120.3343	3.672	928	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6a]	C[6a]	P[6]	4:3:3:	3:3:1:	4:3:2:1:	P[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:Se[6]-2:Se-1:	C[6a](P[6]Se[6]C[6]Se)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H)	P[6](C[6]C[6a]Se[6]H)(C[6a]C[6a]2)(Se[6]C[6])(Se)	C[6a](P[6]Se[6]C[6]Se)(C[6a]C[6a]H)2{1|Se<2>,1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H){1|Se<1>,1|Se<2>,1|C<3>,1|C<4>,2|H<1>}	P[6](C[6]C[6a]Se[6]H)(C[6a]C[6a]2)(Se[6]C[6])(Se){1|P<4>,3|H<1>,5|C<3>}	119.9518	1.555	6	119.9518	2.417	6	119.9518	2.417	6	120.1546	6.382	8	120.3343	3.672	928	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6a]	C[6a]	P[6]	4:3:3:	3:3:1:	4:3:3:3:	P[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6a](P[6]C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H)	P[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2	C[6a](P[6]C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)2{1|N<3>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	P[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2{2|C<4>,5|H<1>,8|C<3>}	120.3782	1.435	8	120.3782	2.060	8	120.3782	2.060	8	120.7715	2.283	12	120.3343	3.672	928	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6a]	C[6a]	P[6]	4:3:3:	3:3:1:	4:3:3:3:	P[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	Ge[5,5,6]-4:C[6a]-3:C[6a]-3:C[6]-3:	C[6a](P[6]Ge[5,5,6]C[6a]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H)	P[6](Ge[5,5,6]Ge[5,5]C[5,6]C[5])(C[6a]C[6a]2)2(C[6]Ge[6]P)	C[6a](P[6]Ge[5,5,6]C[6a]C[6])(C[6a]C[6a]H)2{1|Ge<2>,1|Ge<3>,1|P<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H){1|Ge<4>,2|H<1>,3|C<3>}	P[6](Ge[5,5,6]Ge[5,5]C[5,6]C[5])(C[6a]C[6a]2)2(C[6]Ge[6]P){1|P<3>,2|N<3>,3|P<4>,4|C<3>,4|H<1>}	121.5580	1.526	4	121.5580	2.329	4	121.5580	2.329	4	120.7715	2.283	12	120.3343	3.672	928	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6a]	C[6a]	P[6]	4:3:3:	3:3:1:	4:3:3:4:	P[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6]-4:C[6a]-3:C[6a]-3:C[6]-4:	C[6a](P[6]C[6a]C[6]2)(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]F)(F)	P[6](C[6]C[6a]O[6]H)(C[6a]C[6a]2)2(C[6]C[6]CH)	C[6a](P[6]C[6a]C[6]2)(C[6a]C[6a]F)2{1|O<2>,2|C<4>,2|F<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]F)(F){2|C<3>,2|C<4>,2|F<1>}	P[6](C[6]C[6a]O[6]H)(C[6a]C[6a]2)2(C[6]C[6]CH){1|B<4>,2|H<1>,4|F<1>,6|C<3>}	122.0333	1.813	4	122.0333	3.287	4	122.0333	3.287	4	120.4525	2.703	44	120.3343	3.672	928	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6a]	C[6a]	P[6]	4:3:3:	3:3:1:	4:3:3:4:	P[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	B[6]-4:C[6a]-3:C[6a]-3:C[6]-4:	C[6a](P[6]C[6a]B[6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H)	P[6](B[6]C[6a]2C[6])(C[6a]C[6a]2)2(C[6]C[6]HH)	C[6a](P[6]C[6a]B[6]C[6])(C[6a]C[6a]H)2{1|C<4>,4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H){1|B<4>,1|C<4>,2|C<3>,2|H<1>}	P[6](B[6]C[6a]2C[6])(C[6a]C[6a]2)2(C[6]C[6]HH){1|C<4>,6|H<1>,9|C<3>}	120.4297	0.423	4	120.4297	0.179	4	120.5046	1.777	16	120.4525	2.703	44	120.3343	3.672	928	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6a]	C[6a]	P[6]	4:3:3:	3:3:1:	4:3:3:4:	P[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	B[6]-4:C[6a]-3:C[6a]-3:C[6]-4:	C[6a](P[6]C[6a]B[6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H)	P[6](B[6]C[6a]C[6]C)(C[6a]C[6a]2)2(C[6]B[6]HH)	C[6a](P[6]C[6a]B[6]C[6])(C[6a]C[6a]H)2{1|B<4>,2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H){1|B<4>,1|C<4>,2|C<3>,2|H<1>}	P[6](B[6]C[6a]C[6]C)(C[6a]C[6a]2)2(C[6]B[6]HH){1|C<4>,1|P<4>,6|H<1>,7|C<3>}	120.5295	1.540	12	120.5295	2.372	12	120.5046	1.777	16	120.4525	2.703	44	120.3343	3.672	928	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6a]	C[6a]	P[6]	4:3:3:	3:3:1:	4:3:3:4:	P[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:C[6]-4:	C[6a](P[6]C[5,6]C[6a]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H)	P[6](C[5,6]C[5,6]C[5]Fe)(C[6a]C[6a]2)2(C[6]N[6]HH)	C[6a](P[6]C[5,6]C[6a]C[6])(C[6a]C[6a]H)2{1|Fe<10>,1|N<3>,2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	P[6](C[5,6]C[5,6]C[5]Fe)(C[6a]C[6a]2)2(C[6]N[6]HH){4|C<3>,4|C<4>,5|H<1>}	120.5335	1.868	4	120.5335	3.488	4	120.5335	3.488	4	120.4525	2.703	44	120.3343	3.672	928	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6a]	C[6a]	P[6]	4:3:3:	3:3:1:	4:3:3:4:	P[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6]-4:C[6a]-3:C[6a]-3:C[6]-4:	C[6a](P[6]C[6,6]C[6a]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H)	P[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)2(C[6]C[6]HH)	C[6a](P[6]C[6,6]C[6a]C[6])(C[6a]C[6a]H)2{1|C<4>,5|C<3>,5|H<1>}	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	P[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)2(C[6]C[6]HH){1|B<4>,1|C<4>,6|C<3>,6|H<1>}	120.4723	2.705	4	120.4723	7.318	4	120.4723	7.318	4	120.4525	2.703	44	120.3343	3.672	928	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6a]	C[6a]	P[6]	4:3:3:	3:3:1:	4:3:3:4:	P[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	Ga[6]-4:C[6a]-3:C[6a]-3:C[6]-4:	C[6a](P[6]C[6a]Ga[6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H)	P[6](Ga[6]Ga[6]P[6]I)(C[6a]C[6a]2)2(C[6]B[6]HH)	C[6a](P[6]C[6a]Ga[6]C[6])(C[6a]C[6a]H)2{1|Ga<4>,1|B<4>,1|I<1>,1|P<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H){1|Ga<4>,1|C<4>,2|C<3>,2|H<1>}	P[6](Ga[6]Ga[6]P[6]I)(C[6a]C[6a]2)2(C[6]B[6]HH){1|C<4>,1|I<1>,2|P<4>,4|H<1>,8|C<3>}	119.8896	1.561	8	119.8896	2.437	8	119.8896	2.437	8	120.4525	2.703	44	120.3343	3.672	928	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6a]	C[6a]	P[6]	4:3:3:	3:3:1:	4:3:3:4:	P[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	P[6]-4:C[6a]-3:C[6a]-3:C[6]-4:	C[6a](P[6]C[6a]C[6]P[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H)	P[6](P[6]P[6]Co2)(C[6a]C[6a]2)2(C[6]B[6]HH)	C[6a](P[6]C[6a]C[6]P[6])(C[6a]C[6a]H)2{2|Co<4>,1|B<4>,1|P<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H){1|C<4>,1|P<4>,2|C<3>,2|H<1>}	P[6](P[6]P[6]Co2)(C[6a]C[6a]2)2(C[6]B[6]HH){1|C<4>,4|H<1>,8|C<3>}	120.0703	1.533	8	120.0703	2.349	8	120.0703	2.349	8	120.4525	2.703	44	120.3343	3.672	928	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6a]	C[6a]	P[6]	4:3:3:	3:3:1:	4:3:4:1:	P[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	P[6]-4:C[6a]-3:C[6]-4:S-1:	C[6a](P[6]C[6]P[6]S)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H)	P[6](P[6]C[6a]C[6]S)(C[6a]C[6a]2)(C[6]C[6]CC)(S)	C[6a](P[6]C[6]P[6]S)(C[6a]C[6a]H)2{1|S<1>,2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|P<4>,1|S<1>,2|H<1>}	P[6](P[6]C[6a]C[6]S)(C[6a]C[6a]2)(C[6]C[6]CC)(S){3|C<4>,4|C<3>,4|H<1>}	120.4112	3.990	4	120.4112	15.923	4	120.4112	15.923	4	120.4112	15.923	4	120.3343	3.672	928	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6a]	C[6a]	P[6]	4:3:3:	3:3:1:	4:4:3:1:	P[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6a]-3:O-1:	C[6a](P[6]C[5,6,6]2O)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H)	P[6](C[5,6,6]C[5,5,6]C[5,6,6]H)2(C[6a]C[6a]2)(O)	C[6a](P[6]C[5,6,6]2O)(C[6a]C[6a]H)2{1|C<3>,4|C<4>,4|H<1>}	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	P[6](C[5,6,6]C[5,5,6]C[5,6,6]H)2(C[6a]C[6a]2)(O){1|O<2>,2|C<3>,6|C<4>,6|H<1>}	120.5100	2.966	2	120.5100	8.795	2	120.5100	8.795	2	120.5100	8.795	2	120.3343	3.672	928	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6a]	C[6a]	P[6]	4:3:3:	3:3:1:	4:4:3:3:	P[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-4:B[6]-4:C[6a]-3:C[6a]-3:	C[6a](P[6]C[5,6]C[6a]B[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H)	P[6](C[5,6]C[5,6]C[5]Fe)(B[6]C[6a]2C[6])(C[6a]C[6a]2)2	C[6a](P[6]C[5,6]C[6a]B[6])(C[6a]C[6a]H)2{1|Fe<10>,2|H<1>,3|C<4>,5|C<3>}	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H){1|B<4>,1|C<4>,2|C<3>,2|H<1>}	P[6](C[5,6]C[5,6]C[5]Fe)(B[6]C[6a]2C[6])(C[6a]C[6a]2)2{3|C<4>,7|H<1>,8|C<3>}	120.3547	1.522	4	120.3547	2.317	4	120.3547	2.317	4	120.3869	1.265	8	120.3343	3.672	928	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6a]	C[6a]	P[6]	4:3:3:	3:3:1:	4:4:3:3:	P[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	Si[6]-4:Si[6]-4:C[6a]-3:C[6a]-3:	C[6a](P[6]C[6a]Si[6]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H)	P[6](Si[6]C[6]CC)2(C[6a]C[6a]2)2	C[6a](P[6]C[6a]Si[6]2)(C[6a]C[6a]H)2{2|H<1>,3|C<3>,6|C<4>}	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H){2|Si<4>,2|C<3>,2|H<1>}	P[6](Si[6]C[6]CC)2(C[6a]C[6a]2)2{1|C<4>,4|C<3>,8|H<1>}	120.4190	0.795	4	120.4190	0.633	4	120.4190	0.633	4	120.3869	1.265	8	120.3343	3.672	928	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6a]	C[6a]	P[6]	4:3:3:	3:3:2:	3:3:2:1:	P[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:O[6]-2:O-1:	C[6a](P[6]C[6,6a]O[6]O)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(OC)	P[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6,6a])(O)	C[6a](P[6]C[6,6a]O[6]O)(C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(OC){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	P[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6,6a])(O){1|O<2>,2|H<1>,6|C<3>}	122.0410	0.000	1	122.0410	0.000	1	122.0410	0.000	1	122.0410	0.000	1	120.3343	3.672	928	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6a]	C[6a]	P[6]	4:3:3:	3:3:2:	3:3:3:1:	P[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:O-1:	C[6a](P[6]C[6,6a]2O)(C[6a]C[6a]F)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(OH)	P[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(O)	C[6a](P[6]C[6,6a]2O)(C[6a]C[6a]F)(C[6a]C[6a]O){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(OH){1|F<1>,1|H<1>,1|O<1>,3|C<3>}	P[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(O){2|F<1>,3|O<2>,6|C<3>}	120.7890	0.000	1	120.7890	0.000	1	120.7890	0.000	1	120.7890	0.000	1	120.3343	3.672	928	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6a]	C[6a]	P[6]	4:3:3:	3:3:4:	3:3:3:1:	P[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:S-1:	C[6a](P[6]C[6,6a]2S)(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(CH3)	P[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(S)	C[6a](P[6]C[6,6a]2S)(C[6a]C[6a]C)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(CH3){1|S<1>,2|C<4>,3|C<3>}	P[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(S){1|N<3>,2|C<4>,2|H<1>,6|C<3>}	120.4575	1.584	8	120.4575	2.510	8	120.4575	2.510	8	120.4575	2.510	8	120.3343	3.672	928	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6a]	C[6a]	P[6]	4:3:3:	3:3:4:	3:3:3:4:	P[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5,6]-3:C[6a]-3:C[6a]-3:C[6]-4:	C[6a](P[6]C[5,6]C[6a]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(CCCH)	P[6](C[5,6]C[5,6,6]C[5])(C[6a]C[6a]2)2(C[6]C[6]HH)	C[6a](P[6]C[5,6]C[6a]C[6])(C[6a]C[6a]C)2{2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(CCCH){3|C<3>,3|C<4>}	P[6](C[5,6]C[5,6,6]C[5])(C[6a]C[6a]2)2(C[6]C[6]HH){1|O<2>,3|H<1>,5|C<3>,6|C<4>}	120.4267	5.123	4	120.4267	26.243	4	120.4267	26.243	4	120.2942	13.122	16	120.3343	3.672	928	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6a]	C[6a]	P[6]	4:3:3:	3:3:4:	3:3:3:4:	P[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6a]-3:C[6a]-3:C[6]-4:	C[6a](P[6]C[6a]C[6]2)(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(CH3)	P[6](C[6]C[3,6]C)(C[6a]C[6a]2)2(C[6]C[6]HH)	C[6a](P[6]C[6a]C[6]2)(C[6a]C[6a]C)2{2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(CH3){3|C<3>,3|C<4>}	P[6](C[6]C[3,6]C)(C[6a]C[6a]2)2(C[6]C[6]HH){2|H<1>,5|C<3>,6|C<4>}	120.1070	3.384	4	120.1070	11.449	4	120.2635	11.231	8	120.2942	13.122	16	120.3343	3.672	928	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6a]	C[6a]	P[6]	4:3:3:	3:3:4:	3:3:3:4:	P[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6a]-3:C[6a]-3:C[6]-4:	C[6a](P[6]C[6a]C[6]2)(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(CH3)	P[6](C[6]C[6a]C[6])(C[6a]C[6a]2)2(C[6]C[6]HH)	C[6a](P[6]C[6a]C[6]2)(C[6a]C[6a]C)2{1|C<4>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(CH3){3|C<3>,3|C<4>}	P[6](C[6]C[6a]C[6])(C[6a]C[6a]2)2(C[6]C[6]HH){1|B<4>,1|P<3>,2|H<1>,4|C<4>,6|C<3>}	120.4200	3.833	4	120.4200	14.692	4	120.2635	11.231	8	120.2942	13.122	16	120.3343	3.672	928	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6a]	C[6a]	P[6]	4:3:3:	3:3:4:	3:3:3:4:	P[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	N[6]-3:C[6a]-3:C[6a]-3:C[6]-4:	C[6a](P[6]C[6a]C[6]N[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(CH3)	P[6](N[6]C[6a]O[6])(C[6a]C[6a]2)2(C[6]C[6]HH)	C[6a](P[6]C[6a]C[6]N[6])(C[6a]C[6a]C)2{1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(CH3){1|N<3>,2|C<3>,3|C<4>}	P[6](N[6]C[6a]O[6])(C[6a]C[6a]2)2(C[6]C[6]HH){1|B<4>,2|H<1>,4|C<4>,6|C<3>}	120.2230	3.623	4	120.2230	13.129	4	120.2230	13.129	4	120.2942	13.122	16	120.3343	3.672	928	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6a]	C[6a]	P[6]	4:3:3:	3:3:4:	3:3:4:2:	P[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C[6]-4:O[6]-2:	C[6a](P[6]C[6a]C[6]O[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(CH3)	P[6](C[6a]C[6a]2)2(C[6]C[6]HH)(O[6]B[6])	C[6a](P[6]C[6a]C[6]O[6])(C[6a]C[6a]C)2{1|B<4>,1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(CH3){1|O<2>,2|C<3>,3|C<4>}	P[6](C[6a]C[6a]2)2(C[6]C[6]HH)(O[6]B[6]){2|H<1>,4|C<4>,7|C<3>}	120.5005	4.452	4	120.5005	19.823	4	120.5005	19.823	4	120.5005	19.823	4	120.3343	3.672	928	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6a]	C[6a]	P[6]	4:3:3:	3:3:4:	3:3:4:4:	P[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C[6]-4:C[6]-4:	C[6a](P[6]C[6a]C[6]2)(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(CH3)	P[6](C[6a]C[6a]2)2(C[6]C[6]HH)(C[6]C[6]HO)	C[6a](P[6]C[6a]C[6]2)(C[6a]C[6a]C)2{1|O<2>,2|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(CH3){2|C<3>,4|C<4>}	P[6](C[6a]C[6a]2)2(C[6]C[6]HH)(C[6]C[6]HO){1|B<4>,4|C<3>,4|C<4>,4|H<1>}	120.1762	4.114	4	120.1762	16.927	4	120.1372	15.216	8	120.1372	15.216	8	120.3343	3.672	928	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6a]	C[6a]	P[6]	4:3:3:	3:3:4:	3:3:4:4:	P[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C[6]-4:C[6]-4:	C[6a](P[6]C[6a]C[6]2)(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(CH3)	P[6](C[6a]C[6a]2)2(C[6]C[6]HH)(C[6]O[6]CH)	C[6a](P[6]C[6a]C[6]2)(C[6a]C[6a]C)2{1|C<4>,1|O<2>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(CH3){2|C<3>,4|C<4>}	P[6](C[6a]C[6a]2)2(C[6]C[6]HH)(C[6]O[6]CH){1|B<4>,2|H<1>,4|C<3>,4|C<4>}	120.0983	4.310	4	120.0983	18.572	4	120.1372	15.216	8	120.1372	15.216	8	120.3343	3.672	928	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6a]	C[6a]	P[6]	4:3:3:	3:3:4:	4:3:3:4:	P[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	B[6]-4:C[6a]-3:C[6a]-3:C[6]-4:	C[6a](P[6]C[6a]B[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(CH3)	P[6](B[6]C[6a]2C[6])(C[6a]C[6a]2)2(C[6]C[6]HH)	C[6a](P[6]C[6a]B[6]C[6])(C[6a]C[6a]C)2{1|C<4>,4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(CH3){1|B<4>,2|C<3>,3|C<4>}	P[6](B[6]C[6a]2C[6])(C[6a]C[6a]2)2(C[6]C[6]HH){2|H<1>,5|C<4>,9|C<3>}	120.6315	4.010	4	120.6315	16.078	4	120.6315	16.078	4	120.3641	16.283	16	120.3343	3.672	928	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6a]	C[6a]	P[6]	4:3:3:	3:3:4:	4:3:3:4:	P[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5,6,6]-4:C[6a]-3:C[6a]-3:C[6]-4:	C[6a](P[6]C[5,6,6]C[6a]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(CH3)	P[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6a]C[6a]2)2(C[6]C[6]HH)	C[6a](P[6]C[5,6,6]C[6a]C[6])(C[6a]C[6a]C)2{3|C<3>,3|C<4>,5|H<1>}	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(CH3){2|C<3>,4|C<4>}	P[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6a]C[6a]2)2(C[6]C[6]HH){1|B<4>,4|C<3>,4|H<1>,7|C<4>}	120.5830	4.001	4	120.5830	16.004	4	120.5830	16.004	4	120.3641	16.283	16	120.3343	3.672	928	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6a]	C[6a]	P[6]	4:3:3:	3:3:4:	4:3:3:4:	P[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5,6]-4:C[6a]-3:C[6a]-3:C[6]-4:	C[6a](P[6]C[5,6]C[6a]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(CH3)	P[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)2(C[6]C[6]HH)	C[6a](P[6]C[5,6]C[6a]C[6])(C[6a]C[6a]C)2{2|C<4>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(CH3){2|C<3>,4|C<4>}	P[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)2(C[6]C[6]HH){1|B<4>,4|H<1>,5|C<3>,5|C<4>}	120.2422	5.159	4	120.2422	26.612	4	120.2422	26.612	4	120.3641	16.283	16	120.3343	3.672	928	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6a]	C[6a]	P[6]	4:3:3:	3:3:4:	4:3:3:4:	P[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6a]-3:C[6a]-3:C[6]-4:	C[6a](P[6]C[6a]C[6]2)(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(CH3)	P[6](C[6]C[6a]O[6]H)(C[6a]C[6a]2)2(C[6]C[6]HH)	C[6a](P[6]C[6a]C[6]2)(C[6a]C[6a]C)2{1|C<4>,1|O<2>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(CH3){2|C<3>,4|C<4>}	P[6](C[6]C[6a]O[6]H)(C[6a]C[6a]2)2(C[6]C[6]HH){1|B<4>,2|H<1>,4|C<4>,6|C<3>}	119.9995	4.729	4	119.9995	22.366	4	119.9995	22.366	4	120.3641	16.283	16	120.3343	3.672	928	120.2026	4.469	1061
643	643	849	0:SP2_SP2_SP3	C[6a]	C[6a]	P[6]	4:3:3:	3:3:4:	4:4:3:3:	P[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5,6,6]-4:C[6]-4:C[6a]-3:C[6a]-3:	C[6a](P[6]C[5,6,6]C[6a]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(CH3)	P[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6a]O[6]H)(C[6a]C[6a]2)2	C[6a](P[6]C[5,6,6]C[6a]C[6])(C[6a]C[6a]C)2{1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(CH3){2|C<3>,4|C<4>}	P[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6a]O[6]H)(C[6a]C[6a]2)2{1|B<4>,2|H<1>,6|C<3>,7|C<4>}	120.4158	4.672	4	120.4158	21.827	4	120.4158	21.827	4	120.4158	21.827	4	120.3343	3.672	928	120.2026	4.469	1061
643	643	849	6:SP2_SP2_SP3	C[6,6,6a]	C[6,6,6a]	P[3x6]	3:4:3:	3:4:3:	3:3:3:1:	C[6,6,6a]-3:P[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6]-3:C[6,6]-3:Se-1:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(P[3x6]C[6,6]2Se)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]P[3x6]C[6a])(C[3x6]C[6,6]2C[6a])(C[6a]C[6a]H)	P[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C[6a])2(Se)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(P[3x6]C[6,6]2Se)(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]P[3x6]C[6a])(C[3x6]C[6,6]2C[6a])(C[6a]C[6a]H){1|Se<1>,4|H<1>,5|C<3>}	P[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C[6a])2(Se){1|C<4>,3|H<1>,6|C<3>}	113.7045	0.071	2	113.7045	0.005	2	113.7045	0.005	2	113.7045	0.005	2	113.0867	2.138	9	119.6988	5.454	291
643	643	849	6:SP2_SP2_SP3	C[6,6,6a]	C[6,6,6a]	P[3x6]	3:4:3:	3:4:3:	3:3:3:4:	C[6,6,6a]-3:P[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:C-4:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(P[3x6]C[6,6,6a]2C)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]P[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	P[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(CC[6a]3)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(P[3x6]C[6,6,6a]2C)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6,6,6a](C[6,6,6a]P[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	P[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(CC[6a]3){1|C<4>,3|H<1>,6|C<3>}	109.6970	0.000	1	109.6970	0.000	1	109.6970	0.000	1	109.6970	0.000	1	113.0867	2.138	9	119.6988	5.454	291
643	643	849	6:SP2_SP2_SP3	C[6,6,6a]	C[6,6,6a]	P[3x6]	3:4:3:	4:3:3:	3:3:3:1:	C[6,6,6a]-3:P[3x6]-4:C[6a]-3:	B[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:Se-1:	C[6,6,6a](C[6,6,6a]B[3x6]C[6a])(P[3x6]C[6,6,6a]2Se)(C[6a]C[6a]H)	C[6,6,6a](B[3x6]C[6,6,6a]2C[6a])(C[6,6,6a]P[3x6]C[6a])(C[6a]C[6a]H)	P[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(Se)	C[6,6,6a](C[6,6,6a]B[3x6]C[6a])(P[3x6]C[6,6,6a]2Se)(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6,6,6a](B[3x6]C[6,6,6a]2C[6a])(C[6,6,6a]P[3x6]C[6a])(C[6a]C[6a]H){1|Se<1>,2|H<1>,7|C<3>}	P[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(Se){1|B<4>,3|H<1>,6|C<3>}	113.4457	0.903	6	113.4457	0.815	6	113.4457	0.815	6	113.4457	0.815	6	113.0867	2.138	9	119.6988	5.454	291
643	643	849	6:SP2_SP2_SP3	C[6,6,6a]	C[6,6a]	P[3x6]	4:3:3:	3:3:2:	3:3:3:1:	P[3x6]-4:C[6,6a]-3:C[6,6a]-3:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:O-1:	C[6,6,6a](P[3x6]C[6,6,6a]2O)(C[6,6a]C[6a]O[6])(C[6,6a]C[6a]S[6])	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]H)(O[6]C[6,6a])	P[3x6](C[6,6,6a]C[6,6a]2)3(O)	C[6,6,6a](P[3x6]C[6,6,6a]2O)(C[6,6a]C[6a]O[6])(C[6,6a]C[6a]S[6]){2|H<1>,5|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|O<1>,1|S<2>,4|C<3>}	P[3x6](C[6,6,6a]C[6,6a]2)3(O){1|S<2>,2|O<2>,6|C<3>}	118.4955	0.152	2	118.4955	0.023	2	119.5631	0.171	82	119.4868	0.650	154	119.4582	0.628	164	119.6988	5.454	291
643	643	849	6:SP2_SP2_SP3	C[6,6,6a]	C[6,6a]	P[3x6]	4:3:3:	3:3:2:	3:3:3:1:	P[3x6]-4:C[6,6a]-3:C[6,6a]-3:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:O-1:	C[6,6,6a](P[3x6]C[6,6,6a]2O)(C[6,6a]C[6a]O[6])2	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]C)(O[6]C[6,6a])	P[3x6](C[6,6,6a]C[6,6a]2)3(O)	C[6,6,6a](P[3x6]C[6,6,6a]2O)(C[6,6a]C[6a]O[6])2{1|C<2>,1|H<1>,5|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]C)(O[6]C[6,6a]){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	P[3x6](C[6,6,6a]C[6,6a]2)3(O){3|O<2>,6|C<3>}	119.7707	0.807	6	119.7707	0.651	6	119.5631	0.171	82	119.4868	0.650	154	119.4582	0.628	164	119.6988	5.454	291
643	643	849	6:SP2_SP2_SP3	C[6,6,6a]	C[6,6a]	P[3x6]	4:3:3:	3:3:2:	3:3:3:1:	P[3x6]-4:C[6,6a]-3:C[6,6a]-3:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:O-1:	C[6,6,6a](P[3x6]C[6,6,6a]2O)(C[6,6a]C[6a]O[6])2	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]H)(O[6]C[6,6a])	P[3x6](C[6,6,6a]C[6,6a]2)3(O)	C[6,6,6a](P[3x6]C[6,6,6a]2O)(C[6,6a]C[6a]O[6])2{1|C<2>,1|H<1>,5|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	P[3x6](C[6,6,6a]C[6,6a]2)3(O){3|O<2>,6|C<3>}	119.7867	0.668	6	119.5751	0.110	74	119.5631	0.171	82	119.4868	0.650	154	119.4582	0.628	164	119.6988	5.454	291
643	643	849	6:SP2_SP2_SP3	C[6,6,6a]	C[6,6a]	P[3x6]	4:3:3:	3:3:2:	3:3:3:1:	P[3x6]-4:C[6,6a]-3:C[6,6a]-3:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:O-1:	C[6,6,6a](P[3x6]C[6,6,6a]2O)(C[6,6a]C[6a]O[6])2	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]H)(O[6]C[6,6a])	P[3x6](C[6,6,6a]C[6,6a]2)3(O)	C[6,6,6a](P[3x6]C[6,6,6a]2O)(C[6,6a]C[6a]O[6])2{2|H<1>,5|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	P[3x6](C[6,6,6a]C[6,6a]2)3(O){1|S<2>,2|O<2>,6|C<3>}	119.8580	0.262	2	119.5751	0.110	74	119.5631	0.171	82	119.4868	0.650	154	119.4582	0.628	164	119.6988	5.454	291
643	643	849	6:SP2_SP2_SP3	C[6,6,6a]	C[6,6a]	P[3x6]	4:3:3:	3:3:2:	3:3:3:1:	P[3x6]-4:C[6,6a]-3:C[6,6a]-3:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:O-1:	C[6,6,6a](P[3x6]C[6,6,6a]2O)(C[6,6a]C[6a]O[6])2	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]H)(O[6]C[6,6a])	P[3x6](C[6,6,6a]C[6,6a]2)3(O)	C[6,6,6a](P[3x6]C[6,6,6a]2O)(C[6,6a]C[6a]O[6])2{2|H<1>,5|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	P[3x6](C[6,6,6a]C[6,6a]2)3(O){3|O<2>,6|C<3>}	119.5473	0.284	66	119.5751	0.110	74	119.5631	0.171	82	119.4868	0.650	154	119.4582	0.628	164	119.6988	5.454	291
643	643	849	6:SP2_SP2_SP3	C[6,6,6a]	C[6,6a]	P[3x6]	4:3:3:	3:3:2:	3:3:3:1:	P[3x6]-4:C[6,6a]-3:C[6,6a]-3:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:S-1:	C[6,6,6a](P[3x6]C[6,6,6a]2S)(C[6,6a]C[6a]O[6])2	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]C)(O[6]C[6,6a])	P[3x6](C[6,6,6a]C[6,6a]2)3(S)	C[6,6,6a](P[3x6]C[6,6,6a]2S)(C[6,6a]C[6a]O[6])2{1|C<2>,1|H<1>,5|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]C)(O[6]C[6,6a]){1|H<1>,1|O<2>,1|S<1>,4|C<3>}	P[3x6](C[6,6,6a]C[6,6a]2)3(S){3|O<2>,6|C<3>}	119.1085	0.455	6	119.1085	0.207	6	119.1678	1.468	41	119.4868	0.650	154	119.4582	0.628	164	119.6988	5.454	291
643	643	849	6:SP2_SP2_SP3	C[6,6,6a]	C[6,6a]	P[3x6]	4:3:3:	3:3:2:	3:3:3:1:	P[3x6]-4:C[6,6a]-3:C[6,6a]-3:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:S-1:	C[6,6,6a](P[3x6]C[6,6,6a]2S)(C[6,6a]C[6a]O[6])2	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]H)(O[6]C[6,6a])	P[3x6](C[6,6,6a]C[6,6a]2)3(S)	C[6,6,6a](P[3x6]C[6,6,6a]2S)(C[6,6a]C[6a]O[6])2{1|C<2>,1|H<1>,5|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|O<2>,1|S<1>,4|C<3>}	P[3x6](C[6,6,6a]C[6,6a]2)3(S){3|O<2>,6|C<3>}	119.2476	0.600	5	119.1780	1.696	35	119.1678	1.468	41	119.4868	0.650	154	119.4582	0.628	164	119.6988	5.454	291
643	643	849	6:SP2_SP2_SP3	C[6,6,6a]	C[6,6a]	P[3x6]	4:3:3:	3:3:2:	3:3:3:1:	P[3x6]-4:C[6,6a]-3:C[6,6a]-3:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:S-1:	C[6,6,6a](P[3x6]C[6,6,6a]2S)(C[6,6a]C[6a]O[6])2	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]H)(O[6]C[6,6a])	P[3x6](C[6,6,6a]C[6,6a]2)3(S)	C[6,6,6a](P[3x6]C[6,6,6a]2S)(C[6,6a]C[6a]O[6])2{2|H<1>,5|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|O<2>,1|S<1>,4|C<3>}	P[3x6](C[6,6,6a]C[6,6a]2)3(S){3|O<2>,6|C<3>}	119.1664	1.392	30	119.1780	1.696	35	119.1678	1.468	41	119.4868	0.650	154	119.4582	0.628	164	119.6988	5.454	291
643	643	849	6:SP2_SP2_SP3	C[6,6,6a]	C[6,6a]	P[3x6]	4:3:3:	3:3:2:	3:3:3:1:	P[3x6]-4:C[6,6a]-3:C[6,6a]-3:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:Se-1:	C[6,6,6a](P[3x6]C[6,6,6a]2Se)(C[6,6a]C[6a]O[6])2	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]H)(O[6]C[6,6a])	P[3x6](C[6,6,6a]C[6,6a]2)3(Se)	C[6,6,6a](P[3x6]C[6,6,6a]2Se)(C[6,6a]C[6a]O[6])2{2|H<1>,5|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|Se<1>,1|H<1>,1|O<2>,4|C<3>}	P[3x6](C[6,6,6a]C[6,6a]2)3(Se){3|O<2>,6|C<3>}	119.3392	0.367	23	119.3392	0.135	23	119.3392	0.135	23	119.4868	0.650	154	119.4582	0.628	164	119.6988	5.454	291
643	643	849	6:SP2_SP2_SP3	C[6,6,6a]	C[6,6a]	P[3x6]	4:3:3:	3:3:2:	3:3:3:1:	P[3x6]-4:C[6,6a]-3:C[6,6a]-3:	C[6,6,6a]-3:C[6a]-3:S[6]-2:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:O-1:	C[6,6,6a](P[3x6]C[6,6,6a]2O)(C[6,6a]C[6a]O[6])(C[6,6a]C[6a]S[6])	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]H)(S[6]C[6,6a])	P[3x6](C[6,6,6a]C[6,6a]2)3(O)	C[6,6,6a](P[3x6]C[6,6,6a]2O)(C[6,6a]C[6a]O[6])(C[6,6a]C[6a]S[6]){2|H<1>,5|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	P[3x6](C[6,6,6a]C[6,6a]2)3(O){1|S<2>,2|O<2>,6|C<3>}	121.1930	0.120	2	121.1930	0.014	2	120.7645	0.820	8	119.4868	0.650	154	119.4582	0.628	164	119.6988	5.454	291
643	643	849	6:SP2_SP2_SP3	C[6,6,6a]	C[6,6a]	P[3x6]	4:3:3:	3:3:2:	3:3:3:1:	P[3x6]-4:C[6,6a]-3:C[6,6a]-3:	C[6,6,6a]-3:C[6a]-3:S[6]-2:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:O-1:	C[6,6,6a](P[3x6]C[6,6,6a]2O)(C[6,6a]C[6a]S[6])2	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]H)(S[6]C[6,6a])	P[3x6](C[6,6,6a]C[6,6a]2)3(O)	C[6,6,6a](P[3x6]C[6,6,6a]2O)(C[6,6a]C[6a]S[6])2{2|H<1>,5|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|H<1>,1|O<1>,1|S<2>,4|C<3>}	P[3x6](C[6,6,6a]C[6,6a]2)3(O){3|S<2>,6|C<3>}	120.6217	1.023	6	120.6217	1.047	6	120.7645	0.820	8	119.4868	0.650	154	119.4582	0.628	164	119.6988	5.454	291
643	643	849	6:SP2_SP2_SP3	C[6,6,6a]	C[6,6a]	P[3x6]	4:3:3:	3:3:2:	3:3:3:2:	P[3x6]-4:C[6,6a]-3:C[6,6a]-3:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:N-2:	C[6,6,6a](P[3x6]C[6,6,6a]2N)(C[6,6a]C[6a]O[6])2	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]H)(O[6]C[6,6a])	P[3x6](C[6,6,6a]C[6,6a]2)3(NP[3x6])	C[6,6,6a](P[3x6]C[6,6,6a]2N)(C[6,6a]C[6a]O[6])2{2|H<1>,5|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|N<2>,1|O<2>,4|C<3>}	P[3x6](C[6,6,6a]C[6,6a]2)3(NP[3x6]){3|O<2>,6|C<3>}	119.0168	0.294	10	119.0168	0.086	10	119.0168	0.086	10	119.0168	0.086	10	119.4582	0.628	164	119.6988	5.454	291
643	643	849	6:SP2_SP2_SP3	C[6,6,6a]	C[6,6a]	P[6,6]	3:3:4:	3:3:2:	3:3:3:1:	C[6,6a]-3:C[6,6a]-3:P[6,6]-4:	C[6,6,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:C[6,6,6a]-3:O-1:	C[6,6,6a](C[6,6a]C[6,6a]O[6])2(P[6,6]C[6,6a]2O)	C[6,6a](C[6,6,6a]C[6,6a]P[6,6])(C[6,6a]C[6,6,6a]O[6])(O[6]C[6,6a])	P[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6,6a]C[6,6a]2)(O)	C[6,6,6a](C[6,6a]C[6,6a]O[6])2(P[6,6]C[6,6a]2O){2|O<2>,5|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]P[6,6])(C[6,6a]C[6,6,6a]O[6])(O[6]C[6,6a]){1|O<1>,1|O<2>,1|P<4>,5|C<3>}	P[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6,6a]C[6,6a]2)(O){2|H<1>,2|O<2>,6|C<3>}	119.5615	0.158	2	119.5615	0.025	2	119.5615	0.025	2	119.5615	0.025	2	119.0561	3.596	8	119.6988	5.454	291
643	643	849	6:SP2_SP2_SP3	C[6,6,6a]	C[6,6a]	P[6,6]	3:3:4:	3:3:3:	3:3:3:1:	C[6,6a]-3:C[6,6a]-3:P[6,6]-4:	C[6,6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6,6a]-3:O-1:	C[6,6,6a](C[6,6a]C[6,6a]C[6a])2(P[6,6]C[6,6a]2O)	C[6,6a](C[6,6,6a]C[6,6a]P[6,6])(C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)	P[6,6](C[6,6a]C[6,6a,6a]C[6a])2(C[6,6,6a]C[6,6a]2)(O)	C[6,6,6a](C[6,6a]C[6,6a]C[6a])2(P[6,6]C[6,6a]2O){2|H<1>,7|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]P[6,6])(C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<1>,6|C<3>}	P[6,6](C[6,6a]C[6,6a,6a]C[6a])2(C[6,6,6a]C[6,6a]2)(O){2|H<1>,8|C<3>}	119.0345	1.115	2	119.0345	1.243	2	119.0345	1.243	2	118.8877	4.893	6	119.0561	3.596	8	119.6988	5.454	291
643	643	849	6:SP2_SP2_SP3	C[6,6,6a]	C[6,6a]	P[6,6]	3:3:4:	3:3:3:	3:3:3:1:	C[6,6a]-3:C[6,6a]-3:P[6,6]-4:	C[6,6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6,6a]-3:S-1:	C[6,6,6a](C[6,6a]C[6,6a]C[6a])2(P[6,6]C[6,6a]2S)	C[6,6a](C[6,6,6a]C[6,6a]P[6,6])(C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)	P[6,6](C[6,6a]C[6,6a,6a]C[6a])2(C[6,6,6a]C[6,6a]2)(S)	C[6,6,6a](C[6,6a]C[6,6a]C[6a])2(P[6,6]C[6,6a]2S){2|H<1>,7|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]P[6,6])(C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|S<1>,6|C<3>}	P[6,6](C[6,6a]C[6,6a,6a]C[6a])2(C[6,6,6a]C[6,6a]2)(S){2|H<1>,8|C<3>}	118.9225	1.131	2	118.8143	7.719	4	118.8143	7.719	4	118.8877	4.893	6	119.0561	3.596	8	119.6988	5.454	291
643	643	849	6:SP2_SP2_SP3	C[6,6,6a]	C[6,6a]	P[6,6]	3:3:4:	3:3:3:	3:3:3:1:	C[6,6a]-3:C[6,6a]-3:P[6,6]-4:	C[6,6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6,6a]-3:S-1:	C[6,6,6a](C[6,6a]C[6,6a]C[6a])2(P[6,6]C[6,6a]2S)	C[6,6a](C[6,6,6a]C[6,6a]P[6,6])(C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)	P[6,6](C[6,6a]C[6,6a,6a]C[6a])2(C[6,6,6a]C[6,6a]2)(S)	C[6,6,6a](C[6,6a]C[6,6a]C[6a])2(P[6,6]C[6,6a]2S){2|H<1>,7|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]P[6,6])(C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H){1|S<1>,2|H<1>,6|C<3>}	P[6,6](C[6,6a]C[6,6a,6a]C[6a])2(C[6,6,6a]C[6,6a]2)(S){2|H<1>,8|C<3>}	118.7060	4.673	2	118.8143	7.719	4	118.8143	7.719	4	118.8877	4.893	6	119.0561	3.596	8	119.6988	5.454	291
643	643	849	6:SP2_SP2_SP3	C[6,6a]	C[6,6,6a]	P[6]	3:3:4:	3:3:3:	3:2:3:1:	C[6,6,6a]-3:C[6a]-3:P[6]-4:	C[6,6a]-3:C[6,6a]-3:C[6,6]-3:	C[6,6a]-3:S[6]-2:N-3:S-1:	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(P[6]S[6]NS)	C[6,6,6a](C[6,6a]C[6a]C[6])(C[6,6a]C[6a]P[6])(C[6,6]C[6]P[6])	P[6](C[6,6a]C[6,6,6a]C[6a])(S[6]P[6])(NSiC)(S)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(P[6]S[6]NS){1|C<2>,1|H<1>,1|P<4>,2|C<3>}	C[6,6,6a](C[6,6a]C[6a]C[6])(C[6,6a]C[6a]P[6])(C[6,6]C[6]P[6]){1|N<3>,2|C<3>,2|S<1>,2|S<2>,3|H<1>}	P[6](C[6,6a]C[6,6,6a]C[6a])(S[6]P[6])(NSiC)(S){1|H<1>,1|S<1>,1|S<2>,3|C<3>}	127.7170	0.000	1	127.7170	0.000	1	127.7170	0.000	1	127.7170	0.000	1	127.7170	0.000	1	119.6988	5.454	291
643	643	849	6:SP2_SP2_SP3	C[6,6a]	C[6,6a,6a]	P[6,6]	3:4:3:	3:3:3:	3:2:2:1:	C[6,6a,6a]-3:P[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:S[6,6]-2:N[6]-2:S-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(P[6,6]S[6,6]N[6]S)(C[6a]C[6a]H)	C[6,6a,6a](C[6,6a]P[6,6]C[6a])2(C[6a,6a]C[6a]2)	P[6,6](C[6,6a]C[6,6a,6a]C[6a])(S[6,6]P[6,6])(N[6]C[6])(S)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(P[6,6]S[6,6]N[6]S)(C[6a]C[6a]H){1|H<1>,1|P<4>,4|C<3>}	C[6,6a,6a](C[6,6a]P[6,6]C[6a])2(C[6a,6a]C[6a]2){1|N<2>,1|N<3>,1|S<2>,2|C<3>,2|S<1>,4|H<1>}	P[6,6](C[6,6a]C[6,6a,6a]C[6a])(S[6,6]P[6,6])(N[6]C[6])(S){1|C<4>,1|H<1>,1|N<3>,1|S<1>,3|C<3>}	121.4860	0.000	1	121.4860	0.000	1	121.4860	0.000	1	121.4860	0.000	1	118.4744	17.742	8	119.6988	5.454	291
643	643	849	6:SP2_SP2_SP3	C[6,6a]	C[6,6a,6a]	P[6,6]	3:4:3:	3:3:3:	3:2:3:1:	C[6,6a,6a]-3:P[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:S[6,6]-2:N[6]-3:S-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(P[6,6]S[6,6]N[6]S)(C[6a]C[6a]H)	C[6,6a,6a](C[6,6a]P[6,6]C[6a])2(C[6a,6a]C[6a]2)	P[6,6](C[6,6a]C[6,6a,6a]C[6a])(S[6,6]P[6,6])(N[6]C[6]C)(S)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(P[6,6]S[6,6]N[6]S)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|P<4>,4|C<3>}	C[6,6a,6a](C[6,6a]P[6,6]C[6a])2(C[6a,6a]C[6a]2){1|N<2>,1|N<3>,1|S<2>,2|C<3>,2|S<1>,4|H<1>}	P[6,6](C[6,6a]C[6,6a,6a]C[6a])(S[6,6]P[6,6])(N[6]C[6]C)(S){1|C<4>,1|H<1>,1|N<2>,1|S<1>,3|C<3>}	126.3390	0.000	1	126.3390	0.000	1	126.3390	0.000	1	126.3390	0.000	1	118.4744	17.742	8	119.6988	5.454	291
643	643	849	6:SP2_SP2_SP3	C[6,6a]	C[6,6a,6a]	P[6,6]	3:4:3:	3:3:3:	3:3:3:1:	C[6,6a,6a]-3:P[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6,6a]-3:O-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(P[6,6]C[6,6,6a]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]P[6,6]C[6a])(C[6a,6a]C[6a]2)	P[6,6](C[6,6a]C[6,6a,6a]C[6a])2(C[6,6,6a]C[6,6a]2)(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(P[6,6]C[6,6,6a]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,7|C<3>}	C[6,6a,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]P[6,6]C[6a])(C[6a,6a]C[6a]2){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	P[6,6](C[6,6a]C[6,6a,6a]C[6a])2(C[6,6,6a]C[6,6a]2)(O){2|H<1>,8|C<3>}	116.3320	2.261	2	116.3320	5.114	2	116.3320	5.114	2	116.6617	6.711	6	118.4744	17.742	8	119.6988	5.454	291
643	643	849	6:SP2_SP2_SP3	C[6,6a]	C[6,6a,6a]	P[6,6]	3:4:3:	3:3:3:	3:3:3:1:	C[6,6a,6a]-3:P[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6,6a]-3:S-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(P[6,6]C[6,6,6a]C[6,6a]S)(C[6a]C[6a]H)	C[6,6a,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]P[6,6]C[6a])(C[6a,6a]C[6a]2)	P[6,6](C[6,6a]C[6,6a,6a]C[6a])2(C[6,6,6a]C[6,6a]2)(S)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(P[6,6]C[6,6,6a]C[6,6a]S)(C[6a]C[6a]H){1|H<1>,7|C<3>}	C[6,6a,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]P[6,6]C[6a])(C[6a,6a]C[6a]2){1|C<4>,1|S<1>,3|H<1>,5|C<3>}	P[6,6](C[6,6a]C[6,6a,6a]C[6a])2(C[6,6,6a]C[6,6a]2)(S){2|H<1>,8|C<3>}	116.6520	1.640	2	116.8265	9.372	4	116.8265	9.372	4	116.6617	6.711	6	118.4744	17.742	8	119.6988	5.454	291
643	643	849	6:SP2_SP2_SP3	C[6,6a]	C[6,6a,6a]	P[6,6]	3:4:3:	3:3:3:	3:3:3:1:	C[6,6a,6a]-3:P[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6,6a]-3:S-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(P[6,6]C[6,6,6a]C[6,6a]S)(C[6a]C[6a]H)	C[6,6a,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]P[6,6]C[6a])(C[6a,6a]C[6a]2)	P[6,6](C[6,6a]C[6,6a,6a]C[6a])2(C[6,6,6a]C[6,6a]2)(S)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(P[6,6]C[6,6,6a]C[6,6a]S)(C[6a]C[6a]H){1|H<1>,7|C<3>}	C[6,6a,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]P[6,6]C[6a])(C[6a,6a]C[6a]2){1|S<1>,4|H<1>,5|C<3>}	P[6,6](C[6,6a]C[6,6a,6a]C[6a])2(C[6,6,6a]C[6,6a]2)(S){2|H<1>,8|C<3>}	117.0010	5.030	2	116.8265	9.372	4	116.8265	9.372	4	116.6617	6.711	6	118.4744	17.742	8	119.6988	5.454	291
643	643	849	6:SP2_SP2_SP3	C[6,6a]	C[6,6a,6a]	P[6]	3:3:4:	3:3:3:	3:2:1:1:	C[6,6a,6a]-3:C[6a]-3:P[6]-4:	C[5,6a,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:S[6]-2:S-1:S-1:	C[6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a])(C[6a]C[6a]H)(P[6]S[6]SS)	C[6,6a,6a](C[5,6a,6a]C[5,6a]2)(C[6,6a]C[6a]P[6])2	P[6](C[6,6a]C[6,6a,6a]C[6a])(S[6]P[6])(S)2	C[6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a])(C[6a]C[6a]H)(P[6]S[6]SS){1|H<1>,1|P<4>,3|C<3>}	C[6,6a,6a](C[5,6a,6a]C[5,6a]2)(C[6,6a]C[6a]P[6])2{1|S<2>,2|C<3>,2|H<1>,2|S<1>,4|C<4>}	P[6](C[6,6a]C[6,6a,6a]C[6a])(S[6]P[6])(S)2{1|H<1>,2|C<4>,3|C<3>}	123.5925	1.290	2	123.5925	1.665	2	123.5925	1.665	2	123.5925	1.665	2	123.3776	2.631	19	119.6988	5.454	291
643	643	849	6:SP2_SP2_SP3	C[6,6a]	C[6,6a,6a]	P[6]	3:3:4:	3:3:3:	3:2:4:4:	C[6,6a,6a]-3:C[6a]-3:P[6]-4:	C[5,6a,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:S[6]-2:C-4:C-4:	C[6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a])(C[6a]C[6a]H)(P[6]S[6]CC)	C[6,6a,6a](C[5,6a,6a]C[5,6a]2)(C[6,6a]C[6a]P[6])2	P[6](C[6,6a]C[6,6a,6a]C[6a])(S[6]P[6])(CCCH)2	C[6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a])(C[6a]C[6a]H)(P[6]S[6]CC){1|H<1>,1|P<4>,3|C<3>}	C[6,6a,6a](C[5,6a,6a]C[5,6a]2)(C[6,6a]C[6a]P[6])2{1|S<2>,2|C<3>,2|H<1>,2|S<1>,4|C<4>}	P[6](C[6,6a]C[6,6a,6a]C[6a])(S[6]P[6])(CCCH)2{1|H<1>,2|S<1>,3|C<3>}	123.9025	1.897	2	123.9025	3.599	2	123.9025	3.599	2	123.9025	3.599	2	123.3776	2.631	19	119.6988	5.454	291
643	643	849	6:SP2_SP2_SP3	C[6,6a]	C[6,6a,6a]	P[6]	3:3:4:	3:3:3:	3:4:4:1:	C[6,6a,6a]-3:C[6a]-3:P[6]-4:	C[5,6a,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:B[6]-4:B-4:H-1:	C[6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a])(C[6a]C[6a]H)(P[6]B[6]BH)	C[6,6a,6a](C[5,6a,6a]C[5,6a]2)(C[6,6a]C[6a]P[6])2	P[6](C[6,6a]C[6,6a,6a]C[6a])(B[6]P[6]HH)(BH3)(H)	C[6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a])(C[6a]C[6a]H)(P[6]B[6]BH){1|P<4>,3|C<3>,3|H<1>}	C[6,6a,6a](C[5,6a,6a]C[5,6a]2)(C[6,6a]C[6a]P[6])2{2|B<4>,2|C<3>,3|H<1>,4|C<4>}	P[6](C[6,6a]C[6,6a,6a]C[6a])(B[6]P[6]HH)(BH3)(H){1|H<1>,2|C<4>,3|C<3>}	124.1365	0.387	2	124.1365	0.150	2	124.1365	0.150	2	124.1365	0.150	2	123.3776	2.631	19	119.6988	5.454	291
643	643	849	6:SP2_SP2_SP3	C[6,6a]	C[6,6a,6a]	P[6]	3:3:4:	3:3:3:	3:4:4:4:	C[6,6a,6a]-3:C[6a]-3:P[6]-4:	C[5,6a,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:B[6]-4:C-4:C-4:	C[6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a])(C[6a]C[6a]H)(P[6]B[6]CC)	C[6,6a,6a](C[5,6a,6a]C[5,6a]2)(C[6,6a]C[6a]P[6])2	P[6](C[6,6a]C[6,6a,6a]C[6a])(B[6]P[6]HH)(CCCH)2	C[6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a])(C[6a]C[6a]H)(P[6]B[6]CC){1|P<4>,3|C<3>,3|H<1>}	C[6,6a,6a](C[5,6a,6a]C[5,6a]2)(C[6,6a]C[6a]P[6])2{2|B<4>,2|C<3>,2|H<1>,5|C<4>}	P[6](C[6,6a]C[6,6a,6a]C[6a])(B[6]P[6]HH)(CCCH)2{1|B<4>,1|C<4>,1|H<1>,3|C<3>}	120.4035	0.788	2	122.0176	2.366	5	122.0176	2.366	5	122.0176	2.366	5	123.3776	2.631	19	119.6988	5.454	291
643	643	849	6:SP2_SP2_SP3	C[6,6a]	C[6,6a,6a]	P[6]	3:3:4:	3:3:3:	3:4:4:4:	C[6,6a,6a]-3:C[6a]-3:P[6]-4:	C[5,6a,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:B[6]-4:C-4:C-4:	C[6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a])(C[6a]C[6a]H)(P[6]B[6]CC)	C[6,6a,6a](C[5,6a,6a]C[5,6a]2)(C[6,6a]C[6a]P[6])2	P[6](C[6,6a]C[6,6a,6a]C[6a])(B[6]P[6]HH)(CCCH)2	C[6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a])(C[6a]C[6a]H)(P[6]B[6]CC){1|P<4>,3|C<3>,3|H<1>}	C[6,6a,6a](C[5,6a,6a]C[5,6a]2)(C[6,6a]C[6a]P[6])2{2|B<4>,2|C<3>,3|H<1>,4|C<4>}	P[6](C[6,6a]C[6,6a,6a]C[6a])(B[6]P[6]HH)(CCCH)2{1|B<4>,2|H<1>,3|C<3>}	122.9425	0.138	2	122.0176	2.366	5	122.0176	2.366	5	122.0176	2.366	5	123.3776	2.631	19	119.6988	5.454	291
643	643	849	6:SP2_SP2_SP3	C[6,6a]	C[6,6a,6a]	P[6]	3:3:4:	3:3:3:	3:4:4:4:	C[6,6a,6a]-3:C[6a]-3:P[6]-4:	C[5,6a,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:B[6]-4:C-4:C-4:	C[6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a])(C[6a]C[6a]H)(P[6]B[6]CC)	C[6,6a,6a](C[5,6a,6a]C[5,6a]2)(C[6,6a]C[6a]P[6])2	P[6](C[6,6a]C[6,6a,6a]C[6a])(B[6]P[6]HH)(CCCH)2	C[6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a])(C[6a]C[6a]H)(P[6]B[6]CC){1|P<4>,3|C<3>,3|H<1>}	C[6,6a,6a](C[5,6a,6a]C[5,6a]2)(C[6,6a]C[6a]P[6])2{2|B<4>,2|H<1>,3|C<3>,4|C<4>}	P[6](C[6,6a]C[6,6a,6a]C[6a])(B[6]P[6]HH)(CCCH)2{1|B<4>,1|H<1>,4|C<3>}	123.3960	0.000	1	122.0176	2.366	5	122.0176	2.366	5	122.0176	2.366	5	123.3776	2.631	19	119.6988	5.454	291
643	643	849	6:SP2_SP2_SP3	C[6,6a]	C[6,6a,6a]	P[6]	3:4:3:	3:3:3:	3:3:3:2:	C[6,6a,6a]-3:P[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:C[6a]-3:C[6a]-3:P[6]-2:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(P[6]C[6a]2P[6])(C[6a]C[6a]H)	C[6,6a,6a](C[6,6a]C[6a]P[6])2(C[6a,6a]C[6a]2)	P[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]2)2(P[6]P[6])	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(P[6]C[6a]2P[6])(C[6a]C[6a]H){1|H<1>,1|P<4>,7|C<3>}	C[6,6a,6a](C[6,6a]C[6a]P[6])2(C[6a,6a]C[6a]2){1|P<2>,4|H<1>,6|C<3>}	P[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]2)2(P[6]P[6]){5|H<1>,9|C<3>}	124.0745	0.713	2	124.0745	0.509	2	124.0745	0.509	2	124.0745	0.509	2	123.3776	2.631	19	119.6988	5.454	291
643	643	849	6:SP2_SP2_SP3	C[6,6a]	C[6,6a,6a]	P[6]	3:4:3:	3:3:3:	3:3:3:3:	C[6,6a,6a]-3:P[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(P[6]C[6,6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]P[6])(C[6a,6a]C[6a]2)	P[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(P[6]C[6,6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,9|C<3>}	C[6,6a,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]P[6])(C[6a,6a]C[6a]2){4|H<1>,6|C<3>}	P[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2{1|O<2>,5|H<1>,9|C<3>}	121.2250	0.000	1	121.2250	0.000	1	121.2250	0.000	1	121.2250	0.000	1	123.3776	2.631	19	119.6988	5.454	291
643	643	849	6:SP2_SP2_SP3	C[6,6a]	C[6,6a,6a]	P[6]	3:4:3:	3:3:3:	3:3:3:4:	C[6,6a,6a]-3:P[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:C[6a]-3:C[6a]-3:B[6]-4:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(P[6]C[6a]2B[6])(C[6a]C[6a]H)	C[6,6a,6a](C[6,6a]C[6a]P[6])2(C[6a,6a]C[6a]2)	P[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]2)2(B[6]P[6]HH)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(P[6]C[6a]2B[6])(C[6a]C[6a]H){1|P<4>,3|H<1>,7|C<3>}	C[6,6a,6a](C[6,6a]C[6a]P[6])2(C[6a,6a]C[6a]2){1|B<4>,4|H<1>,6|C<3>}	P[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]2)2(B[6]P[6]HH){5|H<1>,9|C<3>}	123.5015	1.234	2	123.5015	1.523	2	123.5015	1.523	2	123.5015	1.523	2	123.3776	2.631	19	119.6988	5.454	291
643	643	849	6:SP2_SP2_SP3	C[6,6a]	C[6,6a,6a]	P[6]	3:4:3:	3:3:3:	3:3:4:4:	C[6,6a,6a]-3:P[6]-4:C[6a]-3:	C[5,6a,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:B[6]-4:B-4:	C[6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a])(P[6]C[6a]B[6]B)(C[6a]C[6a]H)	C[6,6a,6a](C[5,6a,6a]C[5,6a]2)(C[6,6a]C[6a]P[6])2	P[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]2)(B[6]P[6]HH)(BH3)	C[6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a])(P[6]C[6a]B[6]B)(C[6a]C[6a]H){1|P<4>,3|H<1>,5|C<3>}	C[6,6a,6a](C[5,6a,6a]C[5,6a]2)(C[6,6a]C[6a]P[6])2{2|B<4>,2|H<1>,3|C<3>,4|C<4>}	P[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]2)(B[6]P[6]HH)(BH3){2|C<4>,3|H<1>,5|C<3>}	122.5970	0.000	1	122.5970	0.000	1	122.5970	0.000	1	122.5970	0.000	1	123.3776	2.631	19	119.6988	5.454	291
643	643	849	6:SP2_SP2_SP3	C[6,6a]	C[6,6a,6a]	P[6]	3:4:3:	3:3:3:	3:4:4:4:	C[6,6a,6a]-3:P[6]-4:C[6a]-3:	C[5,6a,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[5]-4:B[6]-4:B-4:	C[6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a])(P[6]B[6]C[5]B)(C[6a]C[6a]H)	C[6,6a,6a](C[5,6a,6a]C[5,6a]2)(C[6,6a]C[6a]P[6])2	P[6](C[6,6a]C[6,6a,6a]C[6a])(C[5]C[5]2Fe)(B[6]P[6]HH)(BH3)	C[6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a])(P[6]B[6]C[5]B)(C[6a]C[6a]H){1|Fe<10>,1|P<4>,2|C<4>,3|C<3>,3|H<1>}	C[6,6a,6a](C[5,6a,6a]C[5,6a]2)(C[6,6a]C[6a]P[6])2{2|B<4>,2|C<3>,2|H<1>,5|C<4>}	P[6](C[6,6a]C[6,6a,6a]C[6a])(C[5]C[5]2Fe)(B[6]P[6]HH)(BH3){3|C<3>,3|H<1>,4|C<4>}	125.9245	0.436	2	125.9245	0.190	2	125.9245	0.190	2	125.9245	0.190	2	123.3776	2.631	19	119.6988	5.454	291
643	643	849	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	P[3x6]	4:3:3:	3:3:4:	3:3:3:5:	P[3x6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6,6a]-3:C[6,6a]-3:Nb[3x6]-5:	C[6,6a](P[3x6]C[6,6a]2Nb[3x6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]P[3x6]C[6a])(C[6a]C[6a]H)(C[6]N[6]HH)	P[3x6](C[6,6a]C[6,6a]C[6a])3(Nb[3x6]N[6]3N)	C[6,6a](P[3x6]C[6,6a]2Nb[3x6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<2>,3|N<3>,4|H<1>,5|C<3>}	C[6,6a](C[6,6a]P[3x6]C[6a])(C[6a]C[6a]H)(C[6]N[6]HH){1|Nb<5>,2|H<1>,4|C<3>}	P[3x6](C[6,6a]C[6,6a]C[6a])3(Nb[3x6]N[6]3N){3|C<4>,3|H<1>,9|C<3>}	115.7163	0.406	3	115.7163	0.165	3	115.7163	0.165	3	115.7163	0.165	3	115.7780	1.098	6	119.6988	5.454	291
643	643	849	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	P[3x6]	4:3:3:	3:3:4:	3:3:3:6:	P[3x6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6,6a]-3:C[6,6a]-3:Nb[3x6]-6:	C[6,6a](P[3x6]C[6,6a]2Nb[3x6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]P[3x6]C[6a])(C[6a]C[6a]H)(C[6]N[6]HH)	P[3x6](C[6,6a]C[6,6a]C[6a])3(Nb[3x6]N[6]4N)	C[6,6a](P[3x6]C[6,6a]2Nb[3x6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<2>,4|H<1>,4|N<3>,5|C<3>}	C[6,6a](C[6,6a]P[3x6]C[6a])(C[6a]C[6a]H)(C[6]N[6]HH){1|Nb<6>,2|H<1>,4|C<3>}	P[3x6](C[6,6a]C[6,6a]C[6a])3(Nb[3x6]N[6]4N){11|C<3>,3|C<4>,3|H<1>}	115.8397	1.603	3	115.8397	2.568	3	115.8397	2.568	3	115.8397	2.568	3	115.7780	1.098	6	119.6988	5.454	291
643	643	849	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	P[6,6]	4:3:3:	3:3:2:	3:3:3:1:	P[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:C[6,6,6a]-3:O-1:	C[6,6a](P[6,6]C[6,6,6a]C[6,6a]O)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]P[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	P[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6,6a]C[6,6a]2)(O)	C[6,6a](P[6,6]C[6,6,6a]C[6,6a]O)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]P[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|O<1>,2|H<1>,4|C<3>}	P[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6,6a]C[6,6a]2)(O){2|H<1>,2|O<2>,6|C<3>}	117.4535	0.103	2	117.4535	0.011	2	117.4535	0.011	2	117.4535	0.011	2	117.4535	0.011	2	119.6988	5.454	291
643	643	849	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	P[6]	3:3:4:	3:3:3:	3:2:2:1:	C[6,6a]-3:C[6a]-3:P[6]-4:	C[6,6a]-3:C[5,6a]-3:C[6,6a]-3:	C[6,6a]-3:O[6]-2:O-2:O-1:	C[6,6a](C[6,6a]C[5,6a]C[6,6a])(C[6a]C[6a]H)(P[6]O[6]OO)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[6,6a]C[6a]P[6])	P[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(OC)(O)	C[6,6a](C[6,6a]C[5,6a]C[6,6a])(C[6a]C[6a]H)(P[6]O[6]OO){1|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[6,6a]C[6a]P[6]){1|O<1>,2|C<4>,2|O<2>,3|C<3>,4|H<1>}	P[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(OC)(O){1|H<1>,4|C<3>}	120.1680	0.000	1	120.1680	0.000	1	120.1680	0.000	1	118.2910	2.010	5	120.5639	4.967	74	119.6988	5.454	291
643	643	849	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	P[6]	3:3:4:	3:3:3:	3:2:2:1:	C[6,6a]-3:C[6a]-3:P[6]-4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:O[6]-2:O-2:O-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(P[6]O[6]OO)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]P[6])(C[6a]C[6a]H)	P[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(OBi)(O)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(P[6]O[6]OO){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]P[6])(C[6a]C[6a]H){1|O<1>,2|O<2>,3|C<3>,3|H<1>}	P[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(OBi)(O){1|H<1>,4|C<3>}	117.9190	0.000	1	117.9190	0.000	1	117.5230	0.314	2	118.2910	2.010	5	120.5639	4.967	74	119.6988	5.454	291
643	643	849	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	P[6]	3:3:4:	3:3:3:	3:2:2:1:	C[6,6a]-3:C[6a]-3:P[6]-4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:O[6]-2:O-2:O-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(P[6]O[6]OO)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]P[6])(C[6a]C[6a]H)	P[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(OC[6a])(O)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(P[6]O[6]OO){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]P[6])(C[6a]C[6a]H){1|O<1>,2|O<2>,3|C<3>,3|H<1>}	P[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(OC[6a])(O){1|H<1>,4|C<3>}	117.1270	0.000	1	117.1270	0.000	1	117.5230	0.314	2	118.2910	2.010	5	120.5639	4.967	74	119.6988	5.454	291
643	643	849	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	P[6]	3:3:4:	3:3:3:	3:2:2:1:	C[6,6a]-3:C[6a]-3:P[6]-4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:O[6]-2:S-2:O-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(P[6]O[6]OS)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]P[6])(C[6a]C[6a]H)	P[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(SC[6a])(O)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(P[6]O[6]OS){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]P[6])(C[6a]C[6a]H){1|O<1>,1|O<2>,1|S<2>,3|C<3>,3|H<1>}	P[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(SC[6a])(O){1|H<1>,4|C<3>}	119.3380	0.000	1	119.3380	0.000	1	119.3380	0.000	1	118.2910	2.010	5	120.5639	4.967	74	119.6988	5.454	291
643	643	849	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	P[6]	3:3:4:	3:3:3:	3:2:2:1:	C[6,6a]-3:C[6a]-3:P[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:O[6]-2:O-2:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(P[6]O[6]OO)	C[6,6a](C[6,6a]C[6a]P[6])(C[6a]C[6a]H)(C[6]C[6]H)	P[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(OC)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(P[6]O[6]OO){1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]P[6])(C[6a]C[6a]H)(C[6]C[6]H){1|O<1>,2|C<3>,2|H<1>,2|O<2>}	P[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(OC)(O){1|H<1>,4|C<3>}	116.9030	0.000	1	116.9030	0.000	1	116.9030	0.000	1	118.2910	2.010	5	120.5639	4.967	74	119.6988	5.454	291
643	643	849	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	P[6]	3:3:4:	3:3:3:	3:3:2:1:	C[6,6a]-3:C[6a]-3:P[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:O-2:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(P[6]N[6]OO)	C[6,6a](C[6,6a]C[6a]P[6])(C[6a]C[6a]H)(C[6]C[6]H)	P[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(OC)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(P[6]N[6]OO){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]P[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	P[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(OC)(O){1|H<1>,4|C<3>}	119.4030	0.000	1	119.4030	0.000	1	119.4030	0.000	1	119.4030	0.000	1	120.5639	4.967	74	119.6988	5.454	291
643	643	849	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	P[6]	3:3:4:	3:3:3:	3:3:4:4:	C[6,6a]-3:C[6a]-3:P[6]-4:	N[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C-4:C-4:	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(P[6]N[6]CC)	C[6,6a](N[5,6]C[5,6a]Nb[5,6])(C[6,6a]C[6a]P[6])(C[6a]C[6a]H)	P[6](C[6,6a]C[6,6a]C[6a])(N[6]Nb[5,6]C[6a])(CCCH)2	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(P[6]N[6]CC){1|Nb<6>,1|C<4>,1|H<1>,3|C<3>}	C[6,6a](N[5,6]C[5,6a]Nb[5,6])(C[6,6a]C[6a]P[6])(C[6a]C[6a]H){2|Cl<1>,1|N<2>,1|N<3>,1|P<4>,2|C<4>,2|H<1>,3|C<3>}	P[6](C[6,6a]C[6,6a]C[6a])(N[6]Nb[5,6]C[6a])(CCCH)2{2|Cl<1>,1|H<1>,1|N<2>,1|N<3>,1|P<4>,4|C<3>}	123.9325	1.013	2	123.9325	1.027	2	123.9325	1.027	2	123.9325	1.027	2	120.5639	4.967	74	119.6988	5.454	291
643	643	849	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	P[6]	3:3:4:	3:4:3:	3:2:4:4:	C[6,6a]-3:C[6a]-3:P[6]-4:	C[6,6a]-3:B[6]-4:C[6a]-3:	C[6,6a]-3:N[6]-2:C-4:C-4:	C[6,6a](C[6,6a]C[6a]B[6])(C[6a]C[6a]F)(P[6]N[6]CC)	C[6,6a](C[6,6a]C[6a]P[6])(B[6]C[6a]2P[6])(C[6a]C[6a]F)	P[6](C[6,6a]C[6,6a]C[6a])(N[6]P[6])(CCCH)2	C[6,6a](C[6,6a]C[6a]B[6])(C[6a]C[6a]F)(P[6]N[6]CC){1|P<4>,2|F<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]P[6])(B[6]C[6a]2P[6])(C[6a]C[6a]F){1|N<2>,2|F<1>,4|C<4>,5|C<3>}	P[6](C[6,6a]C[6,6a]C[6a])(N[6]P[6])(CCCH)2{1|B<4>,1|F<1>,2|C<3>,2|C<4>}	122.9460	0.000	1	122.9460	0.000	1	122.9460	0.000	1	122.9460	0.000	1	120.5639	4.967	74	119.6988	5.454	291
643	643	849	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	P[6]	3:4:3:	3:3:3:	3:2:4:4:	C[6,6a]-3:P[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:O[6]-2:C[6]-4:B-4:	C[6,6a](C[6,6a]C[6,6a]C[6a])(P[6]C[6]O[6]B)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]P[6])(C[6a]C[6a]H)	P[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(C[6]C[6]2H)(BH3)	C[6,6a](C[6,6a]C[6,6a]C[6a])(P[6]C[6]O[6]B)(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]P[6])(C[6a]C[6a]H){1|B<4>,1|C<4>,1|O<2>,3|C<3>,3|H<1>}	P[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(C[6]C[6]2H)(BH3){3|C<4>,4|C<3>,4|H<1>}	118.3837	0.711	3	118.3837	0.505	3	118.3837	0.505	3	118.3837	0.505	3	120.5639	4.967	74	119.6988	5.454	291
643	643	849	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	P[6]	3:4:3:	3:3:3:	3:3:2:1:	C[6,6a]-3:P[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(P[6]C[6a]O[6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]P[6])(C[6a]C[6a]H)	P[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6,6a])(O)	C[6,6a](C[6,6a]C[6,6a]C[6a])(P[6]C[6a]O[6]O)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]P[6])(C[6a]C[6a]H){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	P[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6,6a])(O){1|O<2>,2|H<1>,6|C<3>}	121.9930	0.000	1	121.9930	0.000	1	121.9930	0.000	1	119.9915	8.012	2	120.5639	4.967	74	119.6988	5.454	291
643	643	849	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	P[6]	3:4:3:	3:3:3:	3:3:2:1:	C[6,6a]-3:P[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(P[6]C[6a]O[6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]P[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	P[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(P[6]C[6a]O[6]O)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]P[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	P[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(O){3|H<1>,6|C<3>}	117.9900	0.000	1	117.9900	0.000	1	117.9900	0.000	1	119.9915	8.012	2	120.5639	4.967	74	119.6988	5.454	291
643	643	849	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	P[6]	3:4:3:	3:3:3:	3:3:3:1:	C[6,6a]-3:P[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:S-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(P[6]C[6a]N[6]S)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]P[6])(C[6a]C[6a]H)	P[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C[6a])(C[6a]C[6a]2)(S)	C[6,6a](C[6,6a]C[6,6a]C[6a])(P[6]C[6a]N[6]S)(C[6a]C[6a]H){1|C<4>,1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]P[6])(C[6a]C[6a]H){1|N<3>,1|S<1>,3|H<1>,4|C<3>}	P[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C[6a])(C[6a]C[6a]2)(S){3|H<1>,8|C<3>}	121.3600	0.000	1	121.3600	0.000	1	121.3600	0.000	1	121.3600	0.000	1	120.5639	4.967	74	119.6988	5.454	291
643	643	849	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	P[6]	3:4:3:	3:3:3:	3:3:3:3:	C[6,6a]-3:P[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(P[6]C[6,6a]C[6a]2)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6a]P[6])(C[6a]C[6a]H)	P[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(P[6]C[6,6a]C[6a]2)(C[6a]C[6a]O){2|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6a]P[6])(C[6a]C[6a]H){1|H<1>,2|O<2>,6|C<3>}	P[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2{1|O<2>,5|H<1>,9|C<3>}	122.0030	0.000	1	122.0030	0.000	1	122.0030	0.000	1	121.6352	0.773	4	120.5639	4.967	74	119.6988	5.454	291
643	643	849	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	P[6]	3:4:3:	3:3:3:	3:3:3:3:	C[6,6a]-3:P[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(P[6]C[6a]2C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]P[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	P[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(P[6]C[6a]2C[6])(C[6a]C[6a]H){1|C<2>,2|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]P[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){3|H<1>,6|C<3>}	P[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(C[6]C[6]C){6|H<1>,7|C<3>}	120.3210	0.000	1	121.2490	1.722	2	121.2490	1.722	2	121.6352	0.773	4	120.5639	4.967	74	119.6988	5.454	291
643	643	849	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	P[6]	3:4:3:	3:3:3:	3:3:3:3:	C[6,6a]-3:P[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(P[6]C[6a]2C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]P[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	P[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(P[6]C[6a]2C[6])(C[6a]C[6a]H){2|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[6a]P[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){3|H<1>,6|C<3>}	P[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(C[6]C[6]C){6|H<1>,7|C<3>}	122.1770	0.000	1	121.2490	1.722	2	121.2490	1.722	2	121.6352	0.773	4	120.5639	4.967	74	119.6988	5.454	291
643	643	849	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	P[6]	3:4:3:	3:3:3:	3:3:3:3:	C[6,6a]-3:P[6]-4:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(P[6]C[6a]2C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]P[6])(N[6]C[6a]C[6])(C[6a]C[6a]H)	P[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(P[6]C[6a]2C[6])(C[6a]C[6a]H){3|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]P[6])(N[6]C[6a]C[6])(C[6a]C[6a]H){2|H<1>,7|C<3>}	P[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(C[6]C[6]H){1|N<3>,5|H<1>,7|C<3>}	122.0400	0.000	1	122.0400	0.000	1	122.0400	0.000	1	121.6352	0.773	4	120.5639	4.967	74	119.6988	5.454	291
643	643	849	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	P[6]	3:4:3:	3:3:3:	3:3:3:4:	C[6,6a]-3:P[6]-4:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]N[6])(P[6]C[6a]2C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]P[6])(N[6]C[6a]C[6])(C[6a]C[6a]H)	P[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]N[6])(P[6]C[6a]2C[6])(C[6a]C[6a]H){1|C<4>,4|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]P[6])(N[6]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,4|H<1>,5|C<3>}	P[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(C[6]C[6]HH){1|N<3>,6|C<3>,7|H<1>}	121.5670	0.000	1	121.5670	0.000	1	121.8945	0.215	2	121.8945	0.215	2	120.5639	4.967	74	119.6988	5.454	291
643	643	849	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	P[6]	3:4:3:	3:3:3:	3:3:3:4:	C[6,6a]-3:P[6]-4:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]N[6])(P[6]C[6a]2C[6])(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]P[6])(N[6]C[6a]C[6])(C[6a]C[6a]H)	P[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]N[6])(P[6]C[6a]2C[6])(C[6a]C[6a]O){1|C<4>,4|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]P[6])(N[6]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	P[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(C[6]C[6]HH){1|N<3>,1|O<2>,6|C<3>,6|H<1>}	122.2220	0.000	1	122.2220	0.000	1	121.8945	0.215	2	121.8945	0.215	2	120.5639	4.967	74	119.6988	5.454	291
643	643	849	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	P[6]	3:4:3:	3:3:3:	3:4:3:1:	C[6,6a]-3:P[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:O-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(P[6]C[6a]C[6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]P[6])(C[6a]C[6a]H)	P[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)(C[6a]C[6a]2)(O)	C[6,6a](C[6,6a]C[6,6a]C[6a])(P[6]C[6a]C[6]O)(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]P[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	P[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)(C[6a]C[6a]2)(O){3|H<1>,6|C<3>}	119.5950	0.000	1	119.5950	0.000	1	119.5950	0.000	1	119.5950	0.000	1	120.5639	4.967	74	119.6988	5.454	291
643	643	849	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	P[6]	3:4:3:	3:3:3:	3:4:3:3:	C[6,6a]-3:P[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:B[6]-4:C[6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(P[6]C[6a]2B[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]P[6])(C[6a]C[6a]H)	P[6](C[6,6a]C[6,6a]C[6a])(B[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(P[6]C[6a]2B[6])(C[6a]C[6a]H){3|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]P[6])(C[6a]C[6a]H){1|B<4>,1|F<1>,2|H<1>,5|C<3>}	P[6](C[6,6a]C[6,6a]C[6a])(B[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)2{10|C<3>,5|H<1>}	118.0020	0.000	1	118.0020	0.000	1	118.0020	0.000	1	118.0020	0.000	1	120.5639	4.967	74	119.6988	5.454	291
643	643	849	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	P[6]	3:4:3:	3:3:3:	3:4:3:4:	C[6,6a]-3:P[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:B-4:	C[6,6a](C[6,6a]C[6,6a]C[6a])(P[6]C[6a]C[6]B)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]P[6])(C[6a]C[6a]H)	P[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(C[6a]C[6a]2)(BH3)	C[6,6a](C[6,6a]C[6,6a]C[6a])(P[6]C[6a]C[6]B)(C[6a]C[6a]H){4|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]P[6])(C[6a]C[6a]H){1|B<4>,1|C<4>,1|O<2>,2|H<1>,4|C<3>}	P[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(C[6a]C[6a]2)(BH3){3|H<1>,6|C<3>}	118.7595	0.323	2	118.7595	0.104	2	118.7595	0.104	2	118.7595	0.104	2	120.5639	4.967	74	119.6988	5.454	291
643	643	849	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	P[6]	3:4:3:	3:3:4:	3:3:3:1:	C[6,6a]-3:P[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(P[6]C[6a]C[6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]P[6])(C[6a]C[6a]H)(C[6]C[6]CC)	P[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6,6a](C[6,6a]C[6a]C[6])(P[6]C[6a]C[6]O)(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]P[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|O<1>,3|C<3>,3|H<1>}	P[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]2)(O){1|C<4>,1|P<4>,4|H<1>,5|C<3>}	123.4975	0.704	2	123.4975	0.495	2	123.5902	0.177	4	123.5902	0.177	4	120.5639	4.967	74	119.6988	5.454	291
643	643	849	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	P[6]	3:4:3:	3:3:4:	3:3:3:1:	C[6,6a]-3:P[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(P[6]C[6a]C[6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]P[6])(C[6a]C[6a]H)(C[6]C[6]CC)	P[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(P[6]C[6a]C[6]O)(C[6a]C[6a]H){2|H<1>,3|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]P[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|O<1>,3|C<3>,3|H<1>}	P[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(O){1|C<4>,4|C<3>,4|H<1>}	123.6550	0.000	1	123.6550	0.000	1	123.5902	0.177	4	123.5902	0.177	4	120.5639	4.967	74	119.6988	5.454	291
643	643	849	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	P[6]	3:4:3:	3:3:4:	3:3:3:1:	C[6,6a]-3:P[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(P[6]C[6a]C[6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]P[6])(C[6a]C[6a]H)(C[6]C[6]CC)	P[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(P[6]C[6a]C[6]O)(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]P[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|O<1>,3|C<3>,3|H<1>}	P[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(O){1|C<4>,4|C<3>,4|H<1>}	123.7110	0.000	1	123.7110	0.000	1	123.5902	0.177	4	123.5902	0.177	4	120.5639	4.967	74	119.6988	5.454	291
643	643	849	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	P[6]	3:4:3:	3:3:4:	3:3:3:3:	C[6,6a]-3:P[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6a]-3:Ge[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(P[6]C[6a]2Ge[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]P[6])(C[6a]C[6a]H)(C[6]N[6]HH)	P[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(Ge[6]N[6]Cl)	C[6,6a](C[6,6a]C[6a]C[6])(P[6]C[6a]2Ge[6])(C[6a]C[6a]H){1|Cl<1>,1|N<3>,4|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]P[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|Ge<3>,2|H<1>,4|C<3>}	P[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(Ge[6]N[6]Cl){1|C<4>,5|H<1>,7|C<3>}	122.0150	0.000	1	122.0150	0.000	1	122.0150	0.000	1	122.0150	0.000	1	120.5639	4.967	74	119.6988	5.454	291
643	643	849	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	P[6]	3:4:3:	3:4:3:	3:3:3:1:	C[6,6a]-3:P[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(P[6]C[6a]C[6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]P[6])(C[6,6]C[6]3)(C[6a]C[6a]H)	P[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6,6]C[6a])(P[6]C[6a]C[6]O)(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]P[6])(C[6,6]C[6]3)(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,7|H<1>}	P[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(O){1|C<4>,4|C<3>,4|H<1>}	123.9280	0.000	1	123.9280	0.000	1	123.9280	0.000	1	123.9280	0.000	1	120.5639	4.967	74	119.6988	5.454	291
643	643	849	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	P[6]	3:4:3:	3:4:3:	3:3:3:4:	C[6,6a]-3:P[6]-4:C[6a]-3:	C[6,6a]-3:P[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]P[6])(P[6]C[6a]2C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]P[6])(P[6]C[6a]2C[6])(C[6a]C[6a]H)	P[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]P[6])(P[6]C[6a]2C[6])(C[6a]C[6a]H){1|C<4>,4|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]P[6])(P[6]C[6a]2C[6])(C[6a]C[6a]H){1|C<4>,4|H<1>,7|C<3>}	P[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(C[6]C[6]HH){1|P<4>,6|C<3>,7|H<1>}	121.3090	1.878	2	121.3090	3.527	2	121.3090	3.527	2	121.3090	3.527	2	120.5639	4.967	74	119.6988	5.454	291
643	643	849	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	P[6]	3:4:3:	4:3:3:	3:3:3:4:	C[6,6a]-3:P[6]-4:C[6a]-3:	B[5a,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]B[5a,6]C[6a])(P[6]C[6a]2C[6])(C[6a]C[6a]H)	C[6,6a](B[5a,6]O[5a]2O[6])(C[6,6a]C[6a]P[6])(C[6a]C[6a]H)	P[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(C[6]O[6]HH)	C[6,6a](C[6,6a]B[5a,6]C[6a])(P[6]C[6a]2C[6])(C[6a]C[6a]H){3|O<2>,4|H<1>,5|C<3>}	C[6,6a](B[5a,6]O[5a]2O[6])(C[6,6a]C[6a]P[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	P[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(C[6]O[6]HH){1|B<4>,5|H<1>,6|C<3>}	117.2810	0.000	1	117.2810	0.000	1	117.2810	0.000	1	117.2810	0.000	1	120.5639	4.967	74	119.6988	5.454	291
643	643	849	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	P[6]	3:4:3:	4:3:3:	4:3:3:3:	C[6,6a]-3:P[6]-4:C[6a]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(P[6]C[6,6]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[6,6]N[6,6]P[6]H)(C[6,6a]C[6a]P[6])(C[6a]C[6a]H)	P[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2	C[6,6a](C[6,6a]C[6,6]C[6a])(P[6]C[6,6]C[6a]2)(C[6a]C[6a]H){1|N<3>,1|P<4>,4|H<1>,6|C<3>}	C[6,6a](C[6,6]N[6,6]P[6]H)(C[6,6a]C[6a]P[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,6|C<3>}	P[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2{2|C<4>,5|H<1>,8|C<3>}	122.1125	0.743	2	122.1125	0.552	2	122.1125	0.552	2	122.1125	0.552	2	120.5639	4.967	74	119.6988	5.454	291
643	643	849	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	P[6]	4:3:3:	3:2:3:	3:3:3:4:	P[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:O[6]-2:C[6a]-3:	N[5,6]-3:C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](P[6]N[5,6]C[6a]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]P[6])(O[6]In[5,5,6,6])(C[6a]C[6a]C)	P[6](N[5,6]In[5,5,6,6]C[5])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(CC3)	C[6,6a](P[6]N[5,6]C[6a]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|In<6>,3|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6a]P[6])(O[6]In[5,5,6,6])(C[6a]C[6a]C){1|C<4>,2|C<3>,2|H<1>,2|N<3>,3|O<2>}	P[6](N[5,6]In[5,5,6,6]C[5])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(CC3){1|C<4>,1|N<3>,4|C<3>,4|O<2>,5|H<1>}	122.4175	2.966	2	122.4175	8.799	2	122.4175	8.799	2	122.4175	8.799	2	120.5639	4.967	74	119.6988	5.454	291
643	643	849	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	P[6]	4:3:3:	3:3:2:	3:3:3:1:	P[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:O-1:	C[6,6a](P[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]O[6])(C[6a]C[6a]F)	C[6,6a](C[6,6a]C[6a]P[6])(C[6a]C[6a]H)(O[6]C[6,6a])	P[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(O)	C[6,6a](P[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]O[6])(C[6a]C[6a]F){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]P[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|F<1>,1|H<1>,1|O<1>,4|C<3>}	P[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(O){2|F<1>,3|O<2>,6|C<3>}	123.0910	0.000	1	123.0910	0.000	1	122.5665	0.550	2	122.5665	0.550	2	120.5639	4.967	74	119.6988	5.454	291
643	643	849	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	P[6]	4:3:3:	3:3:2:	3:3:3:1:	P[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:O-1:	C[6,6a](P[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]P[6])(C[6a]C[6a]H)(O[6]C[6,6a])	P[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(O)	C[6,6a](P[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]P[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	P[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(O){2|F<1>,3|O<2>,6|C<3>}	122.0420	0.000	1	122.0420	0.000	1	122.5665	0.550	2	122.5665	0.550	2	120.5639	4.967	74	119.6988	5.454	291
643	643	849	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	P[6]	4:3:3:	3:3:2:	3:3:3:3:	P[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:N[6,6]-3:C[6a]-3:C[6a]-3:	C[6,6a](P[6]N[6,6]C[6a]2)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]P[6])(C[6a]C[6a]C)(O[6]In[3x6])	P[6](C[6,6a]C[6,6a]C[6a])(N[6,6]In[3x6]C[6])(C[6a]C[6a]2)2	C[6,6a](P[6]N[6,6]C[6a]2)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|In<5>,3|C<4>,5|C<3>}	C[6,6a](C[6,6a]C[6a]P[6])(C[6a]C[6a]C)(O[6]In[3x6]){2|H<1>,2|N<3>,2|O<2>,3|C<3>}	P[6](C[6,6a]C[6,6a]C[6a])(N[6,6]In[3x6]C[6])(C[6a]C[6a]2)2{1|C<4>,1|N<3>,3|O<2>,6|C<3>,7|H<1>}	118.2890	2.813	2	118.2890	7.912	2	118.2890	7.912	2	118.2890	7.912	2	120.5639	4.967	74	119.6988	5.454	291
643	643	849	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	P[6]	4:3:3:	3:3:2:	3:4:3:3:	P[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[3,6]-4:C[6a]-3:C[6a]-3:	C[6,6a](P[6]C[3,6]C[6a]2)(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]P[6])(C[6a]C[6a]H)(S[6]C[3,6])	P[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]C[3]C)(C[6a]C[6a]2)2	C[6,6a](P[6]C[3,6]C[6a]2)(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){2|H<1>,3|C<4>,5|C<3>}	C[6,6a](C[6,6a]C[6a]P[6])(C[6a]C[6a]H)(S[6]C[3,6]){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	P[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]C[3]C)(C[6a]C[6a]2)2{1|C<4>,1|N<3>,1|S<2>,6|C<3>,6|H<1>}	119.8650	0.000	1	119.8650	0.000	1	119.8650	0.000	1	119.8650	0.000	1	120.5639	4.967	74	119.6988	5.454	291
643	643	849	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	P[6]	4:3:3:	3:3:3:	3:3:3:1:	P[6]-4:C[6,6a]-3:C[6a]-3:	B[6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:S-1:	C[6,6a](P[6]C[6,6a]C[6a]S)(C[6,6a]C[6a]B[6])(C[6a]C[6a]H)	C[6,6a](B[6]C[6,6a]C[6a])(C[6,6a]C[6a]P[6])(C[6a]C[6a]H)	P[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(S)	C[6,6a](P[6]C[6,6a]C[6a]S)(C[6,6a]C[6a]B[6])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6,6a](B[6]C[6,6a]C[6a])(C[6,6a]C[6a]P[6])(C[6a]C[6a]H){1|S<1>,2|H<1>,6|C<3>}	P[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(S){1|B<3>,4|H<1>,6|C<3>}	121.0885	2.061	4	121.0885	4.247	4	121.0885	4.247	4	119.9743	6.370	19	120.5639	4.967	74	119.6988	5.454	291
643	643	849	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	P[6]	4:3:3:	3:3:3:	3:3:3:1:	P[6]-4:C[6,6a]-3:C[6a]-3:	B[6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:Se-1:	C[6,6a](P[6]C[6,6a]C[6a]Se)(C[6,6a]C[6a]B[6])(C[6a]C[6a]H)	C[6,6a](B[6]C[6,6a]C[6a])(C[6,6a]C[6a]P[6])(C[6a]C[6a]H)	P[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(Se)	C[6,6a](P[6]C[6,6a]C[6a]Se)(C[6,6a]C[6a]B[6])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6,6a](B[6]C[6,6a]C[6a])(C[6,6a]C[6a]P[6])(C[6a]C[6a]H){1|Se<1>,2|H<1>,6|C<3>}	P[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(Se){1|B<3>,4|H<1>,6|C<3>}	120.9400	2.172	4	120.9400	4.717	4	120.9400	4.717	4	119.9743	6.370	19	120.5639	4.967	74	119.6988	5.454	291
643	643	849	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	P[6]	4:3:3:	3:3:3:	3:3:3:1:	P[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:O-1:	C[6,6a](P[6]C[6,6]C[6a]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)	C[6,6a](C[6,6a]C[6a]P[6])(C[6]C[6,6]C[6a])(C[6a]C[6a,6a]H)	P[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(O)	C[6,6a](P[6]C[6,6]C[6a]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H){1|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]P[6])(C[6]C[6,6]C[6a])(C[6a]C[6a,6a]H){1|H<1>,1|O<1>,7|C<3>}	P[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(O){4|H<1>,7|C<3>}	121.0670	0.000	1	121.0670	0.000	1	121.0670	0.000	1	119.9743	6.370	19	120.5639	4.967	74	119.6988	5.454	291
643	643	849	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	P[6]	4:3:3:	3:3:3:	3:3:3:1:	P[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:O-1:	C[6,6a](P[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]P[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	P[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(O)	C[6,6a](P[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]P[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|O<1>,2|H<1>,6|C<3>}	P[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(O){1|N<3>,4|H<1>,6|C<3>}	123.4935	0.466	2	123.4935	0.217	2	123.4935	0.217	2	119.9743	6.370	19	120.5639	4.967	74	119.6988	5.454	291
643	643	849	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	P[6]	4:3:3:	3:3:3:	3:3:3:1:	P[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:S-1:	C[6,6a](P[6]C[6,6a]C[6a]S)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]P[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	P[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(S)	C[6,6a](P[6]C[6,6a]C[6a]S)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]P[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|S<1>,2|H<1>,4|C<3>}	P[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(S){1|N<3>,2|C<4>,2|H<1>,6|C<3>}	116.7220	0.639	2	116.7220	0.409	2	117.9179	2.723	8	119.9743	6.370	19	120.5639	4.967	74	119.6988	5.454	291
643	643	849	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	P[6]	4:3:3:	3:3:3:	3:3:3:1:	P[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:S-1:	C[6,6a](P[6]C[6,6a]C[6a]S)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]P[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	P[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(S)	C[6,6a](P[6]C[6,6a]C[6a]S)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]P[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|S<1>,2|H<1>,6|C<3>}	P[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(S){1|N<3>,2|C<4>,2|H<1>,6|C<3>}	117.2152	0.253	4	117.2152	0.064	4	117.9179	2.723	8	119.9743	6.370	19	120.5639	4.967	74	119.6988	5.454	291
643	643	849	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	P[6]	4:3:3:	3:3:3:	3:3:3:1:	P[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:S-1:	C[6,6a](P[6]C[6,6a]C[6a]S)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]P[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	P[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(S)	C[6,6a](P[6]C[6,6a]C[6a]S)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]P[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){1|S<1>,2|H<1>,4|C<3>}	P[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(S){1|N<3>,2|C<4>,2|H<1>,6|C<3>}	120.5190	0.303	2	120.5190	0.092	2	117.9179	2.723	8	119.9743	6.370	19	120.5639	4.967	74	119.6988	5.454	291
643	643	849	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	P[6]	4:3:3:	3:3:3:	3:3:3:3:	P[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:C[6a]-3:	C[6,6a](P[6]C[6,6]C[6a]2)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]P[6])(C[6a]C[6a]H)(N[6]C[6,6]H)	P[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6])(C[6a]C[6a]2)2	C[6,6a](P[6]C[6,6]C[6a]2)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|N<3>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]P[6])(C[6a]C[6a]H)(N[6]C[6,6]H){1|P<4>,2|H<1>,4|C<3>}	P[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6])(C[6a]C[6a]2)2{1|N<3>,1|P<4>,6|H<1>,7|C<3>}	121.5155	0.155	2	121.5155	0.024	2	121.5155	0.024	2	121.5155	0.024	2	120.5639	4.967	74	119.6988	5.454	291
643	643	849	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	P[6]	4:3:3:	3:3:3:	3:3:3:4:	P[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:B-4:	C[6,6a](P[6]C[6,6a]C[6a]B)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]P[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	P[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(BH3)	C[6,6a](P[6]C[6,6a]C[6a]B)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]P[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|B<4>,2|H<1>,6|C<3>}	P[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(BH3){1|N<3>,4|H<1>,6|C<3>}	120.1762	0.478	4	120.1762	0.228	4	120.1762	0.228	4	120.1762	0.228	4	120.5639	4.967	74	119.6988	5.454	291
643	643	849	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	P[6]	4:3:3:	4:3:3:	3:3:3:1:	P[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:O-1:	C[6,6a](P[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]P[6])(C[6a]C[6a]H)	P[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(O)	C[6,6a](P[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|H<1>,6|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]P[6])(C[6a]C[6a]H){1|O<1>,2|H<1>,6|C<3>}	P[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(O){1|C<4>,4|H<1>,6|C<3>}	121.6440	0.689	2	121.6440	0.474	2	121.6440	0.474	2	121.6440	0.474	2	120.5639	4.967	74	119.6988	5.454	291
643	643	849	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	P[6]	4:3:3:	4:3:3:	3:3:3:3:	P[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6,6a](P[6]C[6,6a]C[6a]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]P[6])(C[6a]C[6a]H)	P[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)2	C[6,6a](P[6]C[6,6a]C[6a]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|H<1>,8|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]P[6])(C[6a]C[6a]H){2|H<1>,7|C<3>}	P[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)2{1|C<4>,6|H<1>,8|C<3>}	120.2550	2.290	2	120.1860	2.180	4	120.1860	2.180	4	120.1860	2.180	4	120.5639	4.967	74	119.6988	5.454	291
643	643	849	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	P[6]	4:3:3:	4:3:3:	3:3:3:3:	P[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6,6a](P[6]C[6,6a]C[6a]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]P[6])(C[6a]C[6a]H)	P[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)2	C[6,6a](P[6]C[6,6a]C[6a]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){3|H<1>,8|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]P[6])(C[6a]C[6a]H){2|H<1>,7|C<3>}	P[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)2{1|C<4>,6|H<1>,8|C<3>}	120.1170	1.131	2	120.1860	2.180	4	120.1860	2.180	4	120.1860	2.180	4	120.5639	4.967	74	119.6988	5.454	291
643	643	851	0:SP2_SP2_SP3	C[6a]	C[6a]	N[3,5a]	4:3:3:	3:3:1:	3:2:3:2:	N[3,5a]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[3,5a]-3:N[5a]-2:C[6a]-3:H[3]-2:	C[6a](N[3,5a]C[3,5a]N[5a]H[3])(C[6a]C[6a]H)2	C[6a](C[6a]N[3,5a]C[6a])(C[6a]C[6a]H)(H)	N[3,5a](C[3,5a]C[5a,6a]H[3])(N[5a]C[5a,6a])(C[6a]C[6a]2)(H[3]C[3,5a])	C[6a](N[3,5a]C[3,5a]N[5a]H[3])(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	C[6a](C[6a]N[3,5a]C[6a])(C[6a]C[6a]H)(H){1|H<2>,1|N<2>,2|C<3>,2|H<1>}	N[3,5a](C[3,5a]C[5a,6a]H[3])(N[5a]C[5a,6a])(C[6a]C[6a]2)(H[3]C[3,5a]){2|H<1>,4|C<3>}	119.2515	1.457	2	119.2515	2.124	2	119.2515	2.124	2	119.2515	2.124	2	119.2515	2.124	2	119.2515	2.124	2
643	643	852	0:SP2_SP2_SP3	C[6a]	C[6a]	P[3]	3:3:3:	3:3:1:	4:4:3:	C[6a]-3:C[6a]-3:P[3]-3:	C[6a]-3:C[6a]-3:H-1:	C[3,3]-4:C[3,3]-4:C[6a]-3:	C[6a](C[6a]C[6a]H)2(P[3]C[3,3]2)	C[6a](C[6a]C[6a]P[3])(C[6a]C[6a]H)(H)	P[3](C[3,3]C[3,3]3)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(P[3]C[3,3]2){1|C<3>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]P[3])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	P[3](C[3,3]C[3,3]3)2(C[6a]C[6a]2){2|C<3>,2|H<1>,8|C<4>}	120.6760	8.057	2	120.6760	64.912	2	120.6760	64.912	2	120.6760	64.912	2	120.3372	24.100	12	120.3372	24.100	12
643	643	852	0:SP2_SP2_SP3	C[6a]	C[6a]	P[3]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:P[3]-3:	C[6a]-3:C[6a]-3:C-4:	P[3]-3:P[3]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)2(P[3]P[3]2)	C[6a](C[6a]C[6a]P[3])(C[6a]C[6a]H)(CCCH)	P[3](P[3]C[6a]P[3])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(P[3]P[3]2){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]P[3])(C[6a]C[6a]H)(CCCH){1|C<3>,1|C<4>,1|H<1>,2|P<3>}	P[3](P[3]C[6a]P[3])2(C[6a]C[6a]2){2|C<4>,6|C<3>}	120.0080	5.585	6	120.0080	31.190	6	120.0080	31.190	6	120.0080	31.190	6	120.3372	24.100	12	120.3372	24.100	12
643	643	852	0:SP2_SP2_SP3	C[6a]	C[6a]	P[3]	3:3:3:	3:3:4:	3:4:3:	P[3]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P[3]-4:C[3]-3:	C[6a](P[3]C[3]P[3])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]P[3])(C[6a]C[6a]H)(CC3)	P[3](C[6a]C[6a]2)(P[3]C[3]CW)(C[3]P[3]C)	C[6a](P[3]C[3]P[3])(C[6a]C[6a]C)2{1|C<4>,1|W<6>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]P[3])(C[6a]C[6a]H)(CC3){1|P<4>,2|C<3>,2|C<4>}	P[3](C[6a]C[6a]2)(P[3]C[3]CW)(C[3]P[3]C){2|C<3>,2|C<4>}	120.6100	4.319	2	120.6100	18.654	2	120.6100	18.654	2	120.6100	18.654	2	120.3372	24.100	12	120.3372	24.100	12
643	643	852	0:SP2_SP2_SP3	C[6a]	C[6a]	P[3]	3:3:3:	3:3:4:	4:3:3:	P[3]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	P[3]-4:C[6a]-3:C[3]-3:	C[6a](P[3]C[3]P[3])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]P[3])(C[6a]C[6a]H)(CC3)	P[3](P[3]C[6a]C[3]W)(C[6a]C[6a]2)(C[3]P[3]C)	C[6a](P[3]C[3]P[3])(C[6a]C[6a]C)2{1|W<6>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]P[3])(C[6a]C[6a]H)(CC3){1|P<4>,2|C<3>,2|C<4>}	P[3](P[3]C[6a]C[3]W)(C[6a]C[6a]2)(C[3]P[3]C){2|C<4>,4|C<3>}	120.7135	4.926	2	120.7135	24.270	2	120.7135	24.270	2	120.7135	24.270	2	120.3372	24.100	12	120.3372	24.100	12
643	643	853	0:SP2_SP2_SP2	C[6a]	C[6a]	C[3a]	3:3:3:	3:3:1:	3:3:3:	C[3a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[3a]-3:B[3a]-3:C[6a]-3:	C[6a](C[3a]B[3a]C[3a])(C[6a]C[6a]H)2	C[6a](C[6a]C[3a]C[6a])(C[6a]C[6a]H)(H)	C[3a](C[3a]B[3a]C[3a])(B[3a]C[3a]N)(C[6a]C[6a]2)	C[6a](C[3a]B[3a]C[3a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[3a]C[6a])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,1|O<2>,2|C<3>}	C[3a](C[3a]B[3a]C[3a])(B[3a]C[3a]N)(C[6a]C[6a]2){1|B<3>,2|H<1>,3|C<3>}	121.1718	1.341	4	121.1718	1.799	4	120.9238	1.078	18	120.6450	2.621	31	120.7593	2.202	42	120.7593	2.202	42
643	643	853	0:SP2_SP2_SP2	C[6a]	C[6a]	C[3a]	3:3:3:	3:3:1:	3:3:3:	C[3a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[3a]-3:B[3a]-3:C[6a]-3:	C[6a](C[3a]B[3a]C[3a])(C[6a]C[6a]H)2	C[6a](C[6a]C[3a]C[6a])(C[6a]C[6a]H)(H)	C[3a](C[3a]B[3a]C[6a])(B[3a]C[3a]N)(C[6a]C[6a]2)	C[6a](C[3a]B[3a]C[3a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[3a]C[6a])(C[6a]C[6a]H)(H){1|B<3>,2|C<3>,2|H<1>}	C[3a](C[3a]B[3a]C[6a])(B[3a]C[3a]N)(C[6a]C[6a]2){2|H<1>,4|C<3>}	120.7160	0.866	4	120.7160	0.749	4	120.9238	1.078	18	120.6450	2.621	31	120.7593	2.202	42	120.7593	2.202	42
643	643	853	0:SP2_SP2_SP2	C[6a]	C[6a]	C[3a]	3:3:3:	3:3:1:	3:3:3:	C[3a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[3a]-3:B[3a]-3:C[6a]-3:	C[6a](C[3a]B[3a]C[3a])(C[6a]C[6a]H)2	C[6a](C[6a]C[3a]C[6a])(C[6a]C[6a]H)(H)	C[3a](C[3a]B[3a]Fe)(B[3a]C[3a]N)(C[6a]C[6a]2)	C[6a](C[3a]B[3a]C[3a])(C[6a]C[6a]H)2{1|Fe<8>,1|C<3>,1|N<3>,2|H<1>}	C[6a](C[6a]C[3a]C[6a])(C[6a]C[6a]H)(H){1|B<3>,2|C<3>,2|H<1>}	C[3a](C[3a]B[3a]Fe)(B[3a]C[3a]N)(C[6a]C[6a]2){2|C<3>,2|H<1>}	121.0045	1.608	4	121.0045	2.587	4	120.9238	1.078	18	120.6450	2.621	31	120.7593	2.202	42	120.7593	2.202	42
643	643	853	0:SP2_SP2_SP2	C[6a]	C[6a]	C[3a]	3:3:3:	3:3:1:	3:3:3:	C[3a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[3a]-3:B[3a]-3:C[6a]-3:	C[6a](C[3a]B[3a]C[3a])(C[6a]C[6a]H)2	C[6a](C[6a]C[3a]C[6a])(C[6a]C[6a]H)(H)	C[3a](C[3a]B[3a]Pt)(B[3a]C[3a]N)(C[6a]C[6a]2)	C[6a](C[3a]B[3a]C[3a])(C[6a]C[6a]H)2{1|Pt<4>,1|C<3>,1|N<3>,2|H<1>}	C[6a](C[6a]C[3a]C[6a])(C[6a]C[6a]H)(H){1|B<3>,2|C<3>,2|H<1>}	C[3a](C[3a]B[3a]Pt)(B[3a]C[3a]N)(C[6a]C[6a]2){2|C<3>,2|H<1>}	120.8432	0.699	6	120.8432	0.488	6	120.9238	1.078	18	120.6450	2.621	31	120.7593	2.202	42	120.7593	2.202	42
643	643	853	0:SP2_SP2_SP2	C[6a]	C[6a]	C[3a]	3:3:3:	3:3:1:	3:3:3:	C[3a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[3a]-3:C[3a]-3:C[6a]-3:	C[6a](C[3a]C[3a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[3a]C[6a])(C[6a]C[6a]H)(H)	C[3a](C[3a]C[3a]C[6a])(C[3a]C[3a]O)(C[6a]C[6a]2)	C[6a](C[3a]C[3a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[3a]C[6a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[3a](C[3a]C[3a]C[6a])(C[3a]C[3a]O)(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	117.5080	0.000	1	117.5080	0.000	1	120.2590	4.748	13	120.6450	2.621	31	120.7593	2.202	42	120.7593	2.202	42
643	643	853	0:SP2_SP2_SP2	C[6a]	C[6a]	C[3a]	3:3:3:	3:3:1:	3:3:3:	C[3a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[3a]-3:C[3a]-3:C[6a]-3:	C[6a](C[3a]C[3a]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[3a]C[6a])(C[6a]C[6a]H)(H)	C[3a](C[3a]C[3a]C[6a])(C[3a]C[3a]O)(C[6a]C[6a]2)	C[6a](C[3a]C[3a]2)(C[6a]C[6a]H)2{1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[3a]C[6a])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,3|C<3>}	C[3a](C[3a]C[3a]C[6a])(C[3a]C[3a]O)(C[6a]C[6a]2){2|H<1>,4|C<3>}	120.2125	2.681	2	120.4882	4.434	12	120.2590	4.748	13	120.6450	2.621	31	120.7593	2.202	42	120.7593	2.202	42
643	643	853	0:SP2_SP2_SP2	C[6a]	C[6a]	C[3a]	3:3:3:	3:3:1:	3:3:3:	C[3a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[3a]-3:C[3a]-3:C[6a]-3:	C[6a](C[3a]C[3a]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[3a]C[6a])(C[6a]C[6a]H)(H)	C[3a](C[3a]C[3a]C[6a])(C[3a]C[3a]O)(C[6a]C[6a]2)	C[6a](C[3a]C[3a]2)(C[6a]C[6a]H)2{1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[3a]C[6a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[3a](C[3a]C[3a]C[6a])(C[3a]C[3a]O)(C[6a]C[6a]2){2|H<1>,4|C<3>}	120.7973	2.400	6	120.4882	4.434	12	120.2590	4.748	13	120.6450	2.621	31	120.7593	2.202	42	120.7593	2.202	42
643	643	853	0:SP2_SP2_SP2	C[6a]	C[6a]	C[3a]	3:3:3:	3:3:1:	3:3:3:	C[3a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[3a]-3:C[3a]-3:C[6a]-3:	C[6a](C[3a]C[3a]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[3a]C[6a])(C[6a]C[6a]H)(H)	C[3a](C[3a]C[3a]C[6a])(C[3a]C[3a]O)(C[6a]C[6a]2)	C[6a](C[3a]C[3a]2)(C[6a]C[6a]H)2{1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[3a]C[6a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[3a](C[3a]C[3a]C[6a])(C[3a]C[3a]O)(C[6a]C[6a]2){2|H<1>,4|C<3>}	120.1625	1.969	4	120.4882	4.434	12	120.2590	4.748	13	120.6450	2.621	31	120.7593	2.202	42	120.7593	2.202	42
643	643	853	0:SP2_SP2_SP2	C[6a]	C[6a]	C[3a]	3:3:3:	3:3:1:	4:3:3:	C[3a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	B[3a]-4:C[3a]-3:C[6a]-3:	C[6a](C[3a]B[3a]C[3a])(C[6a]C[6a]H)2	C[6a](C[6a]C[3a]C[6a])(C[6a]C[6a]H)(H)	C[3a](B[3a]C[3a]C[5]N)(C[3a]B[3a]B)(C[6a]C[6a]2)	C[6a](C[3a]B[3a]C[3a])(C[6a]C[6a]H)2{1|B<3>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[3a]C[6a])(C[6a]C[6a]H)(H){1|B<4>,2|C<3>,2|H<1>}	C[3a](B[3a]C[3a]C[5]N)(C[3a]B[3a]B)(C[6a]C[6a]2){2|C<3>,2|H<1>,2|N<3>}	121.0860	0.956	2	121.0860	0.914	2	121.0400	0.299	6	121.0400	0.299	6	120.7593	2.202	42	120.7593	2.202	42
643	643	853	0:SP2_SP2_SP2	C[6a]	C[6a]	C[3a]	3:3:3:	3:3:1:	4:3:3:	C[3a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	B[3a]-4:C[3a]-3:C[6a]-3:	C[6a](C[3a]B[3a]C[3a])(C[6a]C[6a]H)2	C[6a](C[6a]C[3a]C[6a])(C[6a]C[6a]H)(H)	C[3a](B[3a]C[3a]C[6a]C[5])(C[3a]B[3a]C[6a])(C[6a]C[6a]2)	C[6a](C[3a]B[3a]C[3a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[6a](C[6a]C[3a]C[6a])(C[6a]C[6a]H)(H){1|B<4>,2|C<3>,2|H<1>}	C[3a](B[3a]C[3a]C[6a]C[5])(C[3a]B[3a]C[6a])(C[6a]C[6a]2){2|H<1>,2|N<3>,6|C<3>}	120.9820	0.646	2	120.9820	0.418	2	121.0400	0.299	6	121.0400	0.299	6	120.7593	2.202	42	120.7593	2.202	42
643	643	853	0:SP2_SP2_SP2	C[6a]	C[6a]	C[3a]	3:3:3:	3:3:1:	4:3:3:	C[3a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	B[3a]-4:C[3a]-3:C[6a]-3:	C[6a](C[3a]B[3a]C[3a])(C[6a]C[6a]H)2	C[6a](C[6a]C[3a]C[6a])(C[6a]C[6a]H)(H)	C[3a](B[3a]C[3a]C[6a]N[6])(C[3a]B[3a]C[6a])(C[6a]C[6a]2)	C[6a](C[3a]B[3a]C[3a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[3a]C[6a])(C[6a]C[6a]H)(H){1|B<4>,2|C<3>,2|H<1>}	C[3a](B[3a]C[3a]C[6a]N[6])(C[3a]B[3a]C[6a])(C[6a]C[6a]2){2|H<1>,8|C<3>}	121.0520	0.392	2	121.0520	0.153	2	121.0400	0.299	6	121.0400	0.299	6	120.7593	2.202	42	120.7593	2.202	42
643	643	853	0:SP2_SP2_SP2	C[6a]	C[6a]	C[3a]	3:3:3:	3:3:2:	3:3:3:	C[3a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[3a]-3:C[3a]-3:C[6a]-3:	C[6a](C[3a]C[3a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[3a]C[6a])(C[6a]C[6a]H)(OC)	C[3a](C[3a]C[3a]C[6a])(C[3a]C[3a]O)(C[6a]C[6a]2)	C[6a](C[3a]C[3a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[3a]C[6a])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[3a](C[3a]C[3a]C[6a])(C[3a]C[3a]O)(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	123.5070	0.000	1	123.5070	0.000	1	123.5070	0.000	1	123.5070	0.000	1	120.7593	2.202	42	120.7593	2.202	42
643	643	853	0:SP2_SP2_SP2	C[6a]	C[6a]	C[3a]	3:3:3:	3:3:4:	4:3:3:	C[3a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	B[3a]-4:C[3a]-3:C[6a]-3:	C[6a](C[3a]B[3a]C[3a])(C[6a]C[6a]C)2	C[6a](C[6a]C[3a]C[6a])(C[6a]C[6a]H)(CH3)	C[3a](B[3a]C[3a]C[6a]C[5])(C[3a]B[3a]C[6a])(C[6a]C[6a]2)	C[6a](C[3a]B[3a]C[3a])(C[6a]C[6a]C)2{2|H<1>,4|C<3>}	C[6a](C[6a]C[3a]C[6a])(C[6a]C[6a]H)(CH3){1|B<4>,2|C<3>,2|C<4>}	C[3a](B[3a]C[3a]C[6a]C[5])(C[3a]B[3a]C[6a])(C[6a]C[6a]2){2|C<4>,2|N<3>,6|C<3>}	120.5255	0.924	2	120.5255	0.854	2	120.5367	0.504	4	120.5367	0.504	4	120.7593	2.202	42	120.7593	2.202	42
643	643	853	0:SP2_SP2_SP2	C[6a]	C[6a]	C[3a]	3:3:3:	3:3:4:	4:3:3:	C[3a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	B[3a]-4:C[3a]-3:C[6a]-3:	C[6a](C[3a]B[3a]C[3a])(C[6a]C[6a]C)2	C[6a](C[6a]C[3a]C[6a])(C[6a]C[6a]H)(CH3)	C[3a](B[3a]C[3a]C[6a]N[6])(C[3a]B[3a]C[6a])(C[6a]C[6a]2)	C[6a](C[3a]B[3a]C[3a])(C[6a]C[6a]C)2{1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[3a]C[6a])(C[6a]C[6a]H)(CH3){1|B<4>,2|C<3>,2|C<4>}	C[3a](B[3a]C[3a]C[6a]N[6])(C[3a]B[3a]C[6a])(C[6a]C[6a]2){2|C<4>,8|C<3>}	120.5480	0.810	2	120.5480	0.657	2	120.5367	0.504	4	120.5367	0.504	4	120.7593	2.202	42	120.7593	2.202	42
643	643	853	6:SP2_SP2_SP2	C[6a]	C[6a]	C[3,6a]	3:3:1:	3:3:1:	4:3:3:	C[3,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	Si[3]-4:C[3,6a]-3:C[6a]-3:	C[6a](C[3,6a]C[3,6a]Si[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[3,6a]H)(C[6a]C[6a]H)(H)	C[3,6a](Si[3]C[3,6a]C[6a]2)(C[3,6a]C[6a]Si[3])(C[6a]C[6a]H)	C[6a](C[3,6a]C[3,6a]Si[3])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[6a](C[6a]C[3,6a]H)(C[6a]C[6a]H)(H){1|Si<4>,1|C<3>,1|H<1>}	C[3,6a](Si[3]C[3,6a]C[6a]2)(C[3,6a]C[6a]Si[3])(C[6a]C[6a]H){2|H<1>,5|C<3>}	117.2760	0.045	2	117.2760	0.002	2	117.2760	0.002	2	117.2760	0.002	2	116.8148	1.144	4	116.8148	1.144	4
643	643	853	6:SP2_SP2_SP2	C[6a]	C[6a]	C[3,6a]	3:3:1:	3:3:1:	8:3:3:	C[3,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	Nb[3,3,3x6]-8:C[3,6a]-3:C[6a]-3:	C[6a](C[3,6a]Nb[3,3,3x6]C[3,6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[3,6a]H)(C[6a]C[6a]H)(H)	C[3,6a](Nb[3,3,3x6]N[5,6,6]3C[3,6a]C[3]2C)(C[3,6a]Nb[3,3,3x6]C[6a])(C[6a]C[6a]H)	C[6a](C[3,6a]Nb[3,3,3x6]C[3,6a])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,3|C<3>,3|N<3>}	C[6a](C[6a]C[3,6a]H)(C[6a]C[6a]H)(H){1|Nb<8>,1|C<3>,1|H<1>}	C[3,6a](Nb[3,3,3x6]N[5,6,6]3C[3,6a]C[3]2C)(C[3,6a]Nb[3,3,3x6]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|N<3>,4|C<3>}	116.3535	1.606	2	116.3535	2.579	2	116.3535	2.579	2	116.3535	2.579	2	116.8148	1.144	4	116.8148	1.144	4
643	643	854	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6,6]	3:4:3:	3:3:1:	3:4:4:4:	C[6,6a]-3:N[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:B[6]-4:C[6]-4:C[6]-4:	C[6,6a](C[6,6a]C[6a]B[6])(N[6,6]B[6]C[6]2)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(B[6]C[6a]H[6]H)(C[6]C[6]HH)2	C[6,6a](C[6,6a]C[6a]B[6])(N[6,6]B[6]C[6]2)(C[6a]C[6a]H){1|H<2>,2|C<3>,2|C<4>,9|H<1>}	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|B<4>,2|C<4>}	N[6,6](C[6,6a]C[6,6a]C[6a])(B[6]C[6a]H[6]H)(C[6]C[6]HH)2{1|B<4>,1|C<4>,4|C<3>,5|H<1>}	122.0180	0.532	2	122.0180	0.283	2	122.0180	0.283	2	122.0180	0.283	2	119.3928	5.891	5	118.9595	2.317	86
643	643	854	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6,6]	4:3:3:	3:3:1:	3:4:4:1:	N[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a](N[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)(H)	C[6,6a](N[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,8|H<1>}	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|H<1>,3|C<4>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)(H){1|C<4>,1|H<1>,4|C<3>}	117.3290	0.000	1	117.6427	0.155	3	117.6427	0.155	3	117.6427	0.155	3	119.3928	5.891	5	118.9595	2.317	86
643	643	854	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6,6]	4:3:3:	3:3:1:	3:4:4:1:	N[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a](N[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)(H)	C[6,6a](N[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,8|H<1>}	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,4|C<4>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)(H){1|C<4>,1|H<1>,4|C<3>}	117.7995	0.404	2	117.6427	0.155	3	117.6427	0.155	3	117.6427	0.155	3	119.3928	5.891	5	118.9595	2.317	86
643	643	854	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:4:	3:3:1:	3:4:1:1:	C[6,6a]-3:C[6a]-3:N[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]HH)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Br)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CC)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]HH){1|Br<1>,1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Br)(H){1|C<4>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CC)(H)2{1|H<1>,4|C<3>}	120.6680	0.000	1	120.6680	0.000	1	118.5267	3.919	3	118.5267	3.919	3	119.4052	2.651	26	118.9595	2.317	86
643	643	854	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:4:	3:3:1:	3:4:1:1:	C[6,6a]-3:C[6a]-3:N[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]HH)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]HH){1|C<3>,1|C<4>,6|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	117.4560	0.980	2	117.4560	0.960	2	118.5267	3.919	3	118.5267	3.919	3	119.4052	2.651	26	118.9595	2.317	86
643	643	854	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:4:	3:3:1:	3:4:4:4:	C[6,6a,6a]-3:C[6a]-3:N[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:B[6]-4:C-4:C-4:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]B[6]CC)	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a,6a]C[6a])(B[6]N[6]HH)(CH3)2	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]B[6]CC){1|N<4>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(B[6]N[6]HH)(CH3)2{1|H<1>,2|C<4>,3|C<3>}	119.9251	1.448	8	119.9251	2.097	8	119.9251	2.097	8	120.1658	1.384	15	119.4052	2.651	26	118.9595	2.317	86
643	643	854	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:4:	3:3:1:	3:4:4:4:	C[6,6a,6a]-3:C[6a]-3:N[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]CC)	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]HH)(CH3)2	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]CC){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]HH)(CH3)2{1|C<4>,1|H<1>,3|C<3>}	119.9640	0.000	1	119.9640	0.000	1	119.9640	0.000	1	120.1658	1.384	15	119.4052	2.651	26	118.9595	2.317	86
643	643	854	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:4:	3:3:1:	3:4:4:4:	C[6,6a]-3:C[6a]-3:N[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:B[6]-4:C-4:C-4:	C[6,6a](C[6,6a]C[6a]B[6])(C[6a]C[6a]H)(N[6]B[6]CC)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(B[6]C[6a]H[6]H)(CCHH)2	C[6,6a](C[6,6a]C[6a]B[6])(C[6a]C[6a]H)(N[6]B[6]CC){1|H<2>,2|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|B<4>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(B[6]C[6a]H[6]H)(CCHH)2{1|B<4>,1|H<1>,4|C<3>}	119.8060	0.000	1	119.8060	0.000	1	119.8060	0.000	1	120.1658	1.384	15	119.4052	2.651	26	118.9595	2.317	86
643	643	854	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:4:	3:3:1:	3:4:4:4:	C[6,6a]-3:C[6a]-3:N[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]CC)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(CH3)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]CC){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)(H){1|H<1>,2|C<3>,3|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(CH3)2{1|H<1>,4|C<3>}	119.4080	0.000	1	119.4080	0.000	1	120.6632	0.708	5	120.1658	1.384	15	119.4052	2.651	26	118.9595	2.317	86
643	643	854	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:4:	3:3:1:	3:4:4:4:	C[6,6a]-3:C[6a]-3:N[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]CC)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)(CH3)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]CC){3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)(CH3)2{1|H<1>,4|C<3>}	121.3135	0.250	2	121.3135	0.062	2	120.6632	0.708	5	120.1658	1.384	15	119.4052	2.651	26	118.9595	2.317	86
643	643	854	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:4:	3:3:1:	3:4:4:4:	C[6,6a]-3:C[6a]-3:N[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]CC)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]H)(CH3)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]CC){3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]H)(CH3)2{1|H<1>,6|C<3>}	121.0580	0.000	1	121.0580	0.000	1	120.6632	0.708	5	120.1658	1.384	15	119.4052	2.651	26	118.9595	2.317	86
643	643	854	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:4:	3:3:1:	3:4:4:4:	C[6,6a]-3:C[6a]-3:N[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]CC)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(CH3)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]CC){3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(CH3)2{1|H<1>,4|C<3>}	120.2230	0.000	1	120.2230	0.000	1	120.6632	0.708	5	120.1658	1.384	15	119.4052	2.651	26	118.9595	2.317	86
643	643	854	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:4:3:	3:3:1:	3:3:4:1:	C[6,6a]-3:N[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:B-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]BH)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(BC[6a]2H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]BH)(C[6a]C[6a]H){3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|B<4>,1|C<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])2(BC[6a]2H)(H){1|C<4>,2|H<1>,4|C<3>}	119.7420	0.622	4	119.7420	0.387	4	119.7420	0.387	4	119.7420	0.387	4	119.4052	2.651	26	118.9595	2.317	86
643	643	854	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:4:3:	3:3:1:	3:3:4:4:	C[6,6a,6a]-3:N[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[3x6a])(N[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a,6a]N)(H)	N[6](C[6,6a]C[6,6a,6a]C[6a])2(CH3)2	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[3x6a])(N[6]C[6,6a]CC)(C[6a]C[6a]H){1|N<3>,5|C<3>}	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a,6a]N)(H){2|C<4>,4|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])2(CH3)2{2|H<1>,5|C<3>}	117.1890	0.000	1	117.1890	0.000	1	117.3175	0.033	2	117.3175	0.033	2	119.4052	2.651	26	118.9595	2.317	86
643	643	854	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:4:3:	3:3:1:	3:3:4:4:	C[6,6a,6a]-3:N[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(N[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a,6a]C[6a])2(CH3)2	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(N[6]C[6,6a]CC)(C[6a]C[6a]H){1|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])2(CH3)2{2|H<1>,5|C<3>}	117.4460	0.000	1	117.4460	0.000	1	117.3175	0.033	2	117.3175	0.033	2	119.4052	2.651	26	118.9595	2.317	86
643	643	854	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:4:3:	3:3:1:	3:4:1:1:	C[6,6a]-3:N[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[5,6]HH)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,3|H<1>,4|C<4>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{2|C<3>,3|H<1>,4|C<4>}	116.3730	0.000	1	116.3730	0.000	1	116.4320	0.007	2	116.4320	0.007	2	119.4052	2.651	26	118.9595	2.317	86
643	643	854	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:4:3:	3:3:1:	3:4:1:1:	C[6,6a]-3:N[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[5,6]HH)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[5,6]HH)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)(H){1|C<3>,2|C<4>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{2|C<3>,2|H<1>,5|C<4>}	116.4910	0.000	1	116.4910	0.000	1	116.4320	0.007	2	116.4320	0.007	2	119.4052	2.651	26	118.9595	2.317	86
643	643	854	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:4:	3:3:1:	3:4:4:1:	C[6a]-3:C[6a]-3:N[6]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(N[6]C[6]2H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]CC)2(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(N[6]C[6]2H){1|C<3>,2|H<1>,6|C<4>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,2|C<4>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]CC)2(H){1|B<4>,1|C<4>,2|C<3>,5|H<1>}	119.1129	1.083	8	119.1129	1.174	8	119.0177	1.812	30	119.0298	1.715	32	118.7094	1.807	55	118.9595	2.317	86
643	643	854	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:4:	3:3:1:	3:4:4:1:	C[6a]-3:C[6a]-3:N[6]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(N[6]C[6]2H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(N[6]C[6]2H){1|C<3>,2|C<4>,6|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,2|C<4>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|B<4>,1|C<4>,2|C<3>,5|H<1>}	118.9205	0.332	2	118.9205	0.110	2	119.0177	1.812	30	119.0298	1.715	32	118.7094	1.807	55	118.9595	2.317	86
643	643	854	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:4:	3:3:1:	3:4:4:1:	C[6a]-3:C[6a]-3:N[6]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(N[6]C[6]2H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]CC)2(H)	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(N[6]C[6]2H){2|H<1>,4|C<3>,6|C<4>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,2|C<4>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]CC)2(H){1|B<4>,1|C<4>,2|C<3>,5|H<1>}	118.7730	0.359	2	118.7730	0.129	2	119.0177	1.812	30	119.0298	1.715	32	118.7094	1.807	55	118.9595	2.317	86
643	643	854	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:4:	3:3:1:	3:4:4:1:	C[6a]-3:C[6a]-3:N[6]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]C)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2H){1|C<3>,3|C<4>,5|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]C)(H){1|C<3>,2|H<1>,3|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<4>,1|N<4>,2|C<3>,5|H<1>}	119.3430	0.000	1	119.3430	0.000	1	119.0177	1.812	30	119.0298	1.715	32	118.7094	1.807	55	118.9595	2.317	86
643	643	854	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:4:	3:3:1:	3:4:4:1:	C[6a]-3:C[6a]-3:N[6]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2H){1|C<3>,3|C<4>,5|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<4>,1|N<4>,2|C<3>,5|H<1>}	118.5045	0.528	2	118.5045	0.279	2	119.0177	1.812	30	119.0298	1.715	32	118.7094	1.807	55	118.9595	2.317	86
643	643	854	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:4:	3:3:1:	3:4:4:1:	C[6a]-3:C[6a]-3:N[6]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2H){1|C<3>,2|C<4>,6|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|N<4>,1|O<2>,2|C<3>,5|H<1>}	118.3680	0.000	1	118.3680	0.000	1	119.0177	1.812	30	119.0298	1.715	32	118.7094	1.807	55	118.9595	2.317	86
643	643	854	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:4:	3:3:1:	3:4:4:1:	C[6a]-3:C[6a]-3:N[6]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2H){2|C<3>,3|C<4>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H){2|C<4>,3|C<3>,3|H<1>}	119.4158	0.392	4	119.4158	0.154	4	119.0177	1.812	30	119.0298	1.715	32	118.7094	1.807	55	118.9595	2.317	86
643	643	854	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:4:	3:3:1:	3:4:4:1:	C[6a]-3:C[6a]-3:N[6]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2H){1|C<3>,2|C<4>,6|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|N<4>,2|C<3>,6|H<1>}	119.3010	1.522	2	118.9859	4.604	10	119.0177	1.812	30	119.0298	1.715	32	118.7094	1.807	55	118.9595	2.317	86
643	643	854	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:4:	3:3:1:	3:4:4:1:	C[6a]-3:C[6a]-3:N[6]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2H){1|C<3>,2|C<4>,6|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|N<4>,2|C<3>,6|H<1>}	118.9837	2.601	6	118.9859	4.604	10	119.0177	1.812	30	119.0298	1.715	32	118.7094	1.807	55	118.9595	2.317	86
643	643	854	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:4:	3:3:1:	3:4:4:1:	C[6a]-3:C[6a]-3:N[6]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2H){1|C<3>,2|C<4>,6|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|N<4>,2|C<3>,6|H<1>}	118.6775	2.215	2	118.9859	4.604	10	119.0177	1.812	30	119.0298	1.715	32	118.7094	1.807	55	118.9595	2.317	86
643	643	854	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:4:	3:3:1:	3:4:4:1:	C[6a]-3:C[6a]-3:N[6]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:O-1:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2O)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2(O)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2O){1|C<3>,2|C<4>,6|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2(O){1|N<4>,2|C<3>,6|H<1>}	119.2110	0.755	2	119.2110	0.570	2	119.2110	0.570	2	119.0298	1.715	32	118.7094	1.807	55	118.9595	2.317	86
643	643	854	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:4:	3:3:1:	4:3:4:1:	C[6a]-3:C[6a]-3:N[6]-4:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2H){2|C<3>,3|C<4>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H){2|C<4>,4|C<3>,5|H<1>}	118.8155	0.829	4	118.9340	2.773	6	118.9340	2.773	6	118.9340	2.773	6	118.7094	1.807	55	118.9595	2.317	86
643	643	854	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:4:	3:3:1:	4:3:4:1:	C[6a]-3:C[6a]-3:N[6]-4:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2H){2|C<3>,3|C<4>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H){3|C<4>,4|C<3>,4|H<1>}	119.1710	3.411	2	118.9340	2.773	6	118.9340	2.773	6	118.9340	2.773	6	118.7094	1.807	55	118.9595	2.317	86
643	643	854	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:4:	3:3:2:	3:4:4:1:	C[6a]-3:C[6a]-3:N[6]-4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OC)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2H){1|C<3>,2|C<4>,6|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>,3|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|N<4>,1|O<2>,2|C<3>,5|H<1>}	120.5440	0.000	1	120.5440	0.000	1	120.5440	0.000	1	120.5440	0.000	1	118.7094	1.807	55	118.9595	2.317	86
643	643	854	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:4:	3:3:4:	3:4:4:1:	C[6a]-3:C[6a]-3:N[6]-4:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(N[6]C[6]2H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(BC[6a]2H)	N[6](C[6a]C[6a]2)(C[6]C[6]CC)2(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(N[6]C[6]2H){1|C<3>,2|H<1>,6|C<4>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(BC[6a]2H){1|C<3>,2|C<4>,3|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]CC)2(H){1|B<4>,1|C<4>,2|C<3>,5|H<1>}	116.8830	0.000	1	116.8830	0.000	1	117.7973	1.155	10	117.8718	0.941	13	118.7094	1.807	55	118.9595	2.317	86
643	643	854	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:4:	3:3:4:	3:4:4:1:	C[6a]-3:C[6a]-3:N[6]-4:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(N[6]C[6]2H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(BC[6a]Cl2)	N[6](C[6a]C[6a]2)(C[6]C[6]CC)2(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(N[6]C[6]2H){1|C<3>,2|H<1>,6|C<4>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(BC[6a]Cl2){1|C<3>,2|C<4>,3|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]CC)2(H){1|B<4>,1|C<4>,2|C<3>,5|H<1>}	119.5150	0.000	1	119.5150	0.000	1	117.7973	1.155	10	117.8718	0.941	13	118.7094	1.807	55	118.9595	2.317	86
643	643	854	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:4:	3:3:4:	3:4:4:1:	C[6a]-3:C[6a]-3:N[6]-4:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(N[6]C[6]2H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(BC[6a]ClH)	N[6](C[6a]C[6a]2)(C[6]C[6]CC)2(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(N[6]C[6]2H){1|C<3>,2|H<1>,6|C<4>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(BC[6a]ClH){1|C<3>,2|C<4>,3|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]CC)2(H){1|B<4>,1|C<4>,2|C<3>,5|H<1>}	118.1745	0.496	2	118.1745	0.246	2	117.7973	1.155	10	117.8718	0.941	13	118.7094	1.807	55	118.9595	2.317	86
643	643	854	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:4:	3:3:4:	3:4:4:1:	C[6a]-3:C[6a]-3:N[6]-4:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(N[6]C[6]2H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(BCl2H)	N[6](C[6a]C[6a]2)(C[6]C[6]CC)2(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(N[6]C[6]2H){1|C<3>,2|H<1>,6|C<4>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(BCl2H){1|C<3>,2|C<4>,3|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]CC)2(H){1|B<4>,1|C<4>,2|C<3>,5|H<1>}	116.8260	0.000	1	116.8260	0.000	1	117.7973	1.155	10	117.8718	0.941	13	118.7094	1.807	55	118.9595	2.317	86
643	643	854	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:4:	3:3:4:	3:4:4:1:	C[6a]-3:C[6a]-3:N[6]-4:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(N[6]C[6]2H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(BCl3)	N[6](C[6a]C[6a]2)(C[6]C[6]CC)2(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(N[6]C[6]2H){1|C<3>,2|H<1>,6|C<4>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(BCl3){1|C<3>,2|C<4>,3|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]CC)2(H){1|B<4>,1|C<4>,2|C<3>,5|H<1>}	119.6890	0.000	1	119.6890	0.000	1	117.7973	1.155	10	117.8718	0.941	13	118.7094	1.807	55	118.9595	2.317	86
643	643	854	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:4:	3:3:4:	3:4:4:1:	C[6a]-3:C[6a]-3:N[6]-4:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(N[6]C[6]2H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(BF3)	N[6](C[6a]C[6a]2)(C[6]C[6]CC)2(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(N[6]C[6]2H){1|C<3>,2|H<1>,6|C<4>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(BF3){1|C<3>,2|C<4>,3|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]CC)2(H){1|B<4>,1|C<4>,2|C<3>,5|H<1>}	117.3070	0.000	1	117.3070	0.000	1	117.7973	1.155	10	117.8718	0.941	13	118.7094	1.807	55	118.9595	2.317	86
643	643	854	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:4:	3:3:4:	3:4:4:1:	C[6a]-3:C[6a]-3:N[6]-4:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(N[6]C[6]2H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(BF3)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(N[6]C[6]2H){1|C<3>,2|C<4>,6|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(BF3){1|C<3>,2|C<4>,3|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|B<4>,1|C<4>,2|C<3>,5|H<1>}	117.1405	0.019	2	117.1405	0.000	2	117.7973	1.155	10	117.8718	0.941	13	118.7094	1.807	55	118.9595	2.317	86
643	643	854	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:4:	3:3:4:	3:4:4:1:	C[6a]-3:C[6a]-3:N[6]-4:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(N[6]C[6]2H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(BFFO)	N[6](C[6a]C[6a]2)(C[6]C[6]CC)2(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(N[6]C[6]2H){1|C<3>,2|H<1>,6|C<4>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(BFFO){1|C<3>,2|C<4>,3|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]CC)2(H){1|B<4>,1|C<4>,2|C<3>,5|H<1>}	117.1230	0.000	1	117.1230	0.000	1	117.7973	1.155	10	117.8718	0.941	13	118.7094	1.807	55	118.9595	2.317	86
643	643	854	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:4:	3:3:4:	3:4:4:1:	C[6a]-3:C[6a]-3:N[6]-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]C)(CH3)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2H){1|C<3>,3|C<4>,5|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]C)(CH3){1|C<3>,2|C<4>,3|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<4>,1|N<4>,2|C<3>,5|H<1>}	118.4485	0.056	2	118.4485	0.003	2	118.1203	0.325	3	117.8718	0.941	13	118.7094	1.807	55	118.9595	2.317	86
643	643	854	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:4:	3:3:4:	3:4:4:1:	C[6a]-3:C[6a]-3:N[6]-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2H){1|C<3>,3|C<4>,5|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>,3|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<4>,1|N<4>,2|C<3>,5|H<1>}	117.4640	0.000	1	117.4640	0.000	1	118.1203	0.325	3	117.8718	0.941	13	118.7094	1.807	55	118.9595	2.317	86
643	643	854	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:4:	4:3:3:	3:4:4:1:	C[6a]-3:C[6a]-3:N[6]-4:	B[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(N[6]C[6]2H)	C[6a](B[5]C[5,6a]2C[6a])(C[6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6a]C[6a]2)(C[6]C[6]CC)2(H)	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(N[6]C[6]2H){2|H<1>,4|C<3>,6|C<4>}	C[6a](B[5]C[5,6a]2C[6a])(C[6a]C[6a]N[6])(C[6a]C[6a]H){2|C<4>,3|H<1>,7|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]CC)2(H){1|B<4>,1|C<4>,2|C<3>,5|H<1>}	117.4850	0.404	2	117.4850	0.164	2	117.4850	0.164	2	117.4850	0.164	2	118.7094	1.807	55	118.9595	2.317	86
643	643	854	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:4:2:	3:3:3:	3:4:4:1:	C[6a]-3:N[6]-4:N[6a]-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a](C[6a]C[6a]C)(N[6]C[6]2H)(N[6a]C[6a])	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(COO)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2(H)	C[6a](C[6a]C[6a]C)(N[6]C[6]2H)(N[6a]C[6a]){1|C<3>,2|C<4>,6|H<1>}	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(COO){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2(H){1|C<4>,3|C<3>,4|H<1>}	118.6090	0.000	1	118.6090	0.000	1	118.6090	0.000	1	118.6090	0.000	1	118.7094	1.807	55	118.9595	2.317	86
643	643	854	6:SP2_SP2_SP3	C[6,6a]	C[6,6a,6a]	N[6]	3:3:4:	3:3:3:	3:4:4:4:	C[6,6a,6a]-3:C[6a]-3:N[6]-4:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:B[6]-4:C-4:C-4:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]B[6]CC)	C[6,6a,6a](C[6,6a]C[6a]N[6])2(C[6a,6a]C[6a]2)	N[6](C[6,6a]C[6,6a,6a]C[6a])(B[6]N[6]HH)(CH3)2	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]B[6]CC){1|N<4>,3|C<3>,3|H<1>}	C[6,6a,6a](C[6,6a]C[6a]N[6])2(C[6a,6a]C[6a]2){1|B<4>,2|C<3>,4|C<4>,4|H<1>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(B[6]N[6]HH)(CH3)2{1|H<1>,2|C<4>,3|C<3>}	118.6273	1.539	8	118.6273	2.368	8	118.6273	2.368	8	118.5011	2.215	9	118.9385	2.724	11	118.6121	3.570	31
643	643	854	6:SP2_SP2_SP3	C[6,6a]	C[6,6a,6a]	N[6]	3:3:4:	3:3:3:	3:4:4:4:	C[6,6a,6a]-3:C[6a]-3:N[6]-4:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]CC)	C[6,6a,6a](C[6,6a]C[6a]N[6])2(C[6a,6a]C[6a]2)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]HH)(CH3)2	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]CC){1|N<3>,3|C<3>,3|H<1>}	C[6,6a,6a](C[6,6a]C[6a]N[6])2(C[6a,6a]C[6a]2){2|C<3>,4|C<4>,4|H<1>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]HH)(CH3)2{1|C<4>,1|H<1>,3|C<3>}	117.4920	0.000	1	117.4920	0.000	1	117.4920	0.000	1	118.5011	2.215	9	118.9385	2.724	11	118.6121	3.570	31
643	643	854	6:SP2_SP2_SP3	C[6,6a]	C[6,6a,6a]	N[6]	3:4:3:	3:3:3:	3:3:4:4:	C[6,6a,6a]-3:N[6]-4:C[6a]-3:	C[6,6a,6a]-3:C[3x6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[3x6a])(N[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6a,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[3x6a]C[6a,6a]2)(C[6,6a]C[6a]N[6])	N[6](C[6,6a]C[6,6a,6a]C[6a])2(CH3)2	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[3x6a])(N[6]C[6,6a]CC)(C[6a]C[6a]H){1|N<3>,5|C<3>}	C[6,6a,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[3x6a]C[6a,6a]2)(C[6,6a]C[6a]N[6]){1|H<1>,1|N<3>,2|C<4>,6|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])2(CH3)2{2|H<1>,5|C<3>}	120.7590	0.000	1	120.7590	0.000	1	120.7590	0.000	1	120.9070	0.044	2	118.9385	2.724	11	118.6121	3.570	31
643	643	854	6:SP2_SP2_SP3	C[6,6a]	C[6,6a,6a]	N[6]	3:4:3:	3:3:3:	3:3:4:4:	C[6,6a,6a]-3:N[6]-4:C[6a]-3:	C[6,6a,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(N[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6a,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6,6a]C[6a]N[6])(C[6a,6a]C[6a]2)	N[6](C[6,6a]C[6,6a,6a]C[6a])2(CH3)2	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(N[6]C[6,6a]CC)(C[6a]C[6a]H){1|H<1>,5|C<3>}	C[6,6a,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6,6a]C[6a]N[6])(C[6a,6a]C[6a]2){2|C<4>,2|H<1>,2|N<3>,4|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])2(CH3)2{2|H<1>,5|C<3>}	121.0550	0.000	1	121.0550	0.000	1	121.0550	0.000	1	120.9070	0.044	2	118.9385	2.724	11	118.6121	3.570	31
643	643	854	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6,6]	3:4:3:	3:3:4:	3:4:4:4:	C[6,6a]-3:N[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:B[6]-4:	C[6,6a]-3:B[6]-4:C[6]-4:C[6]-4:	C[6,6a](C[6,6a]C[6a]B[6])(N[6,6]B[6]C[6]2)(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(B[6]H[6]HH)	N[6,6](C[6,6a]C[6,6a]C[6a])(B[6]C[6a]H[6]H)(C[6]C[6]HH)2	C[6,6a](C[6,6a]C[6a]B[6])(N[6,6]B[6]C[6]2)(C[6a]C[6a]H){1|H<2>,2|C<3>,2|C<4>,9|H<1>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(B[6]H[6]HH){1|B<4>,1|C<3>,2|C<4>,2|H<1>}	N[6,6](C[6,6a]C[6,6a]C[6a])(B[6]C[6a]H[6]H)(C[6]C[6]HH)2{1|B<4>,1|C<4>,4|C<3>,5|H<1>}	115.4210	0.403	2	115.4210	0.162	2	115.4210	0.162	2	115.4210	0.162	2	118.4066	7.741	5	118.6121	3.570	31
643	643	854	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6,6]	4:3:3:	3:4:3:	3:4:4:1:	N[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a](N[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)(H)	C[6,6a](N[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,8|H<1>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H){1|Br<1>,2|C<3>,2|C<4>,2|H<1>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)(H){1|C<4>,1|H<1>,4|C<3>}	121.2440	0.000	1	120.3970	0.544	3	120.3970	0.544	3	120.3970	0.544	3	118.4066	7.741	5	118.6121	3.570	31
643	643	854	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6,6]	4:3:3:	3:4:3:	3:4:4:1:	N[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a](N[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)(H)	C[6,6a](N[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,8|H<1>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H){2|C<3>,2|H<1>,3|C<4>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)(H){1|C<4>,1|H<1>,4|C<3>}	119.9735	0.108	2	120.3970	0.544	3	120.3970	0.544	3	120.3970	0.544	3	118.4066	7.741	5	118.6121	3.570	31
643	643	854	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:4:	3:3:3:	3:4:1:1:	C[6,6a]-3:C[6a]-3:N[6]-4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]HH)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CC)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]HH){1|Br<1>,1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CC)(H)2{1|H<1>,4|C<3>}	119.0600	0.000	1	119.0600	0.000	1	119.0600	0.000	1	119.0600	0.000	1	118.4411	3.362	15	118.6121	3.570	31
643	643	854	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:4:	3:3:3:	3:4:4:4:	C[6,6a]-3:C[6a]-3:N[6]-4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]CC)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(CH3)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]CC){2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]C){2|H<1>,3|C<3>,4|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(CH3)2{1|H<1>,4|C<3>}	117.1910	0.000	1	117.1910	0.000	1	116.9770	0.157	5	116.9770	0.157	5	118.4411	3.362	15	118.6121	3.570	31
643	643	854	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:4:	3:3:3:	3:4:4:4:	C[6,6a]-3:C[6a]-3:N[6]-4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]CC)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)(CH3)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]CC){3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){3|C<3>,3|C<4>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)(CH3)2{1|H<1>,4|C<3>}	116.6160	0.211	2	116.6160	0.044	2	116.9770	0.157	5	116.9770	0.157	5	118.4411	3.362	15	118.6121	3.570	31
643	643	854	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:4:	3:3:3:	3:4:4:4:	C[6,6a]-3:C[6a]-3:N[6]-4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]CC)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]H)(CH3)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]CC){3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){3|C<3>,3|C<4>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]H)(CH3)2{1|H<1>,6|C<3>}	116.9580	0.000	1	116.9580	0.000	1	116.9770	0.157	5	116.9770	0.157	5	118.4411	3.362	15	118.6121	3.570	31
643	643	854	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:4:	3:3:3:	3:4:4:4:	C[6,6a]-3:C[6a]-3:N[6]-4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]CC)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(CH3)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]CC){3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|H<1>,3|C<3>,4|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(CH3)2{1|H<1>,4|C<3>}	117.5040	0.000	1	117.5040	0.000	1	116.9770	0.157	5	116.9770	0.157	5	118.4411	3.362	15	118.6121	3.570	31
643	643	854	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:4:	3:3:4:	3:4:1:1:	C[6,6a]-3:C[6a]-3:N[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]HH){1|C<3>,1|C<4>,6|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,6|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	121.1990	0.395	2	121.1990	0.156	2	121.1990	0.156	2	121.1990	0.156	2	118.4411	3.362	15	118.6121	3.570	31
643	643	854	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:4:	3:3:4:	3:4:4:4:	C[6,6a]-3:C[6a]-3:N[6]-4:	C[6,6a]-3:C[6a]-3:B[6]-4:	C[6,6a]-3:B[6]-4:C-4:C-4:	C[6,6a](C[6,6a]C[6a]B[6])(C[6a]C[6a]H)(N[6]B[6]CC)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(B[6]H[6]HH)	N[6](C[6,6a]C[6,6a]C[6a])(B[6]C[6a]H[6]H)(CCHH)2	C[6,6a](C[6,6a]C[6a]B[6])(C[6a]C[6a]H)(N[6]B[6]CC){1|H<2>,2|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(B[6]H[6]HH){1|B<4>,1|C<3>,2|C<4>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(B[6]C[6a]H[6]H)(CCHH)2{1|B<4>,1|H<1>,4|C<3>}	116.7110	0.000	1	116.7110	0.000	1	116.7110	0.000	1	116.7110	0.000	1	118.4411	3.362	15	118.6121	3.570	31
643	643	854	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:4:3:	3:4:3:	3:3:4:1:	C[6,6a]-3:N[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:B-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]BH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(BC[6a]2H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]BH)(C[6a]C[6a]H){3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H){1|B<4>,3|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])2(BC[6a]2H)(H){1|C<4>,2|H<1>,4|C<3>}	117.8158	0.284	4	117.8158	0.081	4	117.8158	0.081	4	117.8158	0.081	4	118.4411	3.362	15	118.6121	3.570	31
643	643	854	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:4:3:	3:4:3:	3:4:1:1:	C[6,6a]-3:N[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[5,6]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]CC)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,3|H<1>,4|C<4>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]CC)(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{2|C<3>,3|H<1>,4|C<4>}	121.6480	0.000	1	121.6480	0.000	1	121.1500	0.496	2	121.1500	0.496	2	118.4411	3.362	15	118.6121	3.570	31
643	643	854	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:4:3:	3:4:3:	3:4:1:1:	C[6,6a]-3:N[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[5,6]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]CH)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[5,6]HH)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]CH)(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{2|C<3>,2|H<1>,5|C<4>}	120.6520	0.000	1	120.6520	0.000	1	121.1500	0.496	2	121.1500	0.496	2	118.4411	3.362	15	118.6121	3.570	31
643	643	855	0:SP2_SP2_SPD6	C[6a]	C[6a]	Si[6,6]	6:3:3:	3:3:1:	3:2:2:3:3:2:	Si[6,6]-6:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O[6]-2:O[6]-2:N[6]-3:N[6]-3:O-2:	C[6a](Si[6,6]N[6]2O[6]2O)(C[6a]C[6a]H)2	C[6a](C[6a]Si[6,6]C[6a])(C[6a]C[6a]H)(H)	Si[6,6](C[6a]C[6a]2)(O[6]C[6,6a])2(N[6]C[6]C)2(OC[6a])	C[6a](Si[6,6]N[6]2O[6]2O)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]Si[6,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>,3|O<2>}	Si[6,6](C[6a]C[6a]2)(O[6]C[6,6a])2(N[6]C[6]C)2(OC[6a]){2|C<4>,2|H<1>,6|C<3>}	122.1240	0.328	2	122.1240	0.108	2	122.1240	0.108	2	122.1240	0.108	2	122.1240	0.108	2	122.1240	0.108	2
643	643	856	0:SP2_SP2_SP2	C[6,6,6a]	C[6a]	N[6,6]	3:3:3:	3:3:1:	4:3:3:	C[6,6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6,6a]-3:C[6a]-3:H-1:	C[4,6,6]-4:C[6,6,6a]-3:C-3:	C[6,6,6a](C[6,6,6a]C[4,3x6]C[6a])(N[6,6]C[4,6,6]C)(C[6a]C[6a]H)	C[6a](C[6,6,6a]C[6,6,6a]N[6,6])(C[6a]C[6a]H)(H)	N[6,6](C[4,6,6]C[4,6,6]C[4,6]H)(C[6,6,6a]C[6,6,6a]C[6a])(CCO)	C[6,6,6a](C[6,6,6a]C[4,3x6]C[6a])(N[6,6]C[4,6,6]C)(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	C[6a](C[6,6,6a]C[6,6,6a]N[6,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6,6](C[4,6,6]C[4,6,6]C[4,6]H)(C[6,6,6a]C[6,6,6a]C[6a])(CCO){1|C<4>,3|C<3>,4|H<1>}	124.0760	0.000	1	124.0760	0.000	1	124.0760	0.000	1	124.0760	0.000	1	124.0760	0.000	1	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6,6,6a]	N[6]	3:3:3:	3:4:3:	3:3:1:	C[6,6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6,6a]-3:C[5,3x6]-4:C[6,6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6,6a]C[6,6,6a]C[5,3x6])(C[6,6a]C[6a,6a]C[6])(N[6]C[6]H)	C[6,6,6a](C[6,6,6a]C[5,3x6]C[6a,6a])(C[5,3x6]C[5,6,6]2C[6a])(C[6,6a]C[6,6a]N[6])	N[6](C[6,6a]C[6,6,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6,6a]C[6,6,6a]C[5,3x6])(C[6,6a]C[6a,6a]C[6])(N[6]C[6]H){2|H<1>,3|C<4>,4|C<3>}	C[6,6,6a](C[6,6,6a]C[5,3x6]C[6a,6a])(C[5,3x6]C[5,6,6]2C[6a])(C[6,6a]C[6,6a]N[6]){1|N<2>,3|H<1>,4|C<4>,6|C<3>}	N[6](C[6,6a]C[6,6,6a]C[6,6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	122.7140	0.000	1	122.7140	0.000	1	122.7140	0.000	1	122.7140	0.000	1	122.7300	0.001	2	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6,6,6a]	N[6]	3:3:3:	3:4:3:	3:3:4:	C[6,6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6,6a]-3:C[5,3x6]-4:C[6,6a]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6,6a]C[6,6,6a]C[5,3x6])(C[6,6a]C[6a,6a]C[6])(N[6]C[6]C)	C[6,6,6a](C[6,6,6a]C[5,3x6]C[6a,6a])(C[5,3x6]C[5,6,6]2C[6a])(C[6,6a]C[6,6a]N[6])	N[6](C[6,6a]C[6,6,6a]C[6,6a])(C[6]C[6]H)(CH3)	C[6,6a](C[6,6,6a]C[6,6,6a]C[5,3x6])(C[6,6a]C[6a,6a]C[6])(N[6]C[6]C){2|H<1>,3|C<4>,4|C<3>}	C[6,6,6a](C[6,6,6a]C[5,3x6]C[6a,6a])(C[5,3x6]C[5,6,6]2C[6a])(C[6,6a]C[6,6a]N[6]){1|N<2>,2|H<1>,5|C<4>,6|C<3>}	N[6](C[6,6a]C[6,6,6a]C[6,6a])(C[6]C[6]H)(CH3){1|C<4>,1|H<1>,3|C<3>}	122.7460	0.000	1	122.7460	0.000	1	122.7460	0.000	1	122.7460	0.000	1	122.7300	0.001	2	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:3:4:	3:4:4:	C[6,6a]-3:C[6,6a]-3:N[6,6]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a](C[6,6a]C[6,6a]C[6])2(N[6,6]C[6,6]C[6])	C[6,6a](C[6,6a]C[6,6a]N[6,6])2(C[6]N[6,6]HH)	N[6,6](C[6,6a]C[6,6a]2)(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]C[6,6a]C[6])2(N[6,6]C[6,6]C[6]){2|C<3>,4|N<3>,8|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6,6])2(C[6]N[6,6]HH){2|C<3>,6|C<4>}	N[6,6](C[6,6a]C[6,6a]2)(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){2|C<4>,4|C<3>}	117.5537	0.304	12	117.5537	0.092	12	117.5537	0.092	12	117.5537	0.092	12	117.5537	0.092	12	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:4:3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]O[6])(N[6]C[6]C)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6])(O[6]C[6])	N[6](C[6,6a]C[6,6a]2)(C[6]C[6,6a]CH)(CCO)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]O[6])(N[6]C[6]C){1|Cl<1>,1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6])(O[6]C[6]){1|C<4>,3|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a]2)(C[6]C[6,6a]CH)(CCO){1|O<2>,4|C<3>}	119.3070	0.000	1	119.3070	0.000	1	119.3070	0.000	1	119.3070	0.000	1	122.0121	1.577	20	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]2)(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]H){4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]H){4|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]2)(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	122.5025	0.737	6	122.5025	0.543	6	122.5025	0.543	6	122.5025	0.543	6	122.0121	1.577	20	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:O-2:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]O)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Pt)	N[6](C[6,6a]C[6,6a]2)(C[6]C[6]H)(OPt)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]O){1|Pt<6>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Pt){1|O<2>,3|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]2)(C[6]C[6]H)(OPt){1|H<1>,1|N<3>,3|C<3>}	123.1650	0.000	1	123.1650	0.000	1	123.1650	0.000	1	123.1650	0.000	1	122.0121	1.577	20	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]C)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]2)(C[6]C[6]H)(CCHH)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]C){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]C){1|C<4>,3|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]2)(C[6]C[6]H)(CCHH){1|H<1>,1|N<3>,3|C<3>}	122.9220	0.124	2	122.9220	0.015	2	122.9220	0.015	2	122.9220	0.015	2	122.0121	1.577	20	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6,6a]C[6,6a]C[6])(N[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)	N[6](C[6,6a]C[6,6a]2)(C[6]C[5,6]CC)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6,6a]C[6,6a]C[6])(N[6]C[6]H){1|O<1>,2|H<1>,3|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]2)(C[6]C[5,6]CC)(H){1|H<1>,2|C<4>,3|C<3>}	120.8670	0.221	2	120.8670	0.049	2	120.8670	0.049	2	120.8670	0.049	2	122.0121	1.577	20	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]C)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(CC[6a]O)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]C){2|C<3>,3|C<4>,5|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]C){2|C<3>,3|C<4>,5|H<1>}	N[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(CC[6a]O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	123.8330	0.113	2	123.8330	0.013	2	123.8330	0.013	2	123.8330	0.013	2	122.0121	1.577	20	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	4:3:1:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6]-4:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6,6a]C[6,6a]C[6])(N[6]C[6,6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)	N[6](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6,6a]2)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6,6a]C[6,6a]C[6])(N[6]C[6,6]H){1|O<1>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	N[6](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6,6a]2)(H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	121.7390	0.000	1	121.7390	0.000	1	121.8990	0.051	2	121.6595	0.223	4	122.0121	1.577	20	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	4:3:1:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6]-4:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6,6a]C[6,6a]C[6])(N[6]C[6,6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)	N[6](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6,6a]2)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6,6a]C[6,6a]C[6])(N[6]C[6,6]H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	N[6](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6,6a]2)(H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	122.0590	0.000	1	122.0590	0.000	1	121.8990	0.051	2	121.6595	0.223	4	122.0121	1.577	20	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	4:3:1:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	B[6]-4:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]N[5,6]C[6a])(N[6]B[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]N[5,6]C[6a])(N[6]B[6]H)	N[6](B[6]N[5,6]C[6a]2)(C[6,6a]C[6,6a]2)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]N[5,6]C[6a])(N[6]B[6]H){1|B<4>,2|H<1>,2|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]N[5,6]C[6a])(N[6]B[6]H){1|B<4>,2|H<1>,2|N<3>,4|C<3>}	N[6](B[6]N[5,6]C[6a]2)(C[6,6a]C[6,6a]2)(H){2|N<3>,7|C<3>}	121.4200	0.624	2	121.4200	0.389	2	121.4200	0.389	2	121.6595	0.223	4	122.0121	1.577	20	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]N[6])(C[6]C[6,6a]CC)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)(H)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(N[6]C[6,6a]H){1|H<1>,1|N<3>,4|C<3>,4|C<4>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]N[6])(C[6]C[6,6a]CC){1|C<4>,2|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)(H){1|H<1>,2|C<4>,4|C<3>}	120.4370	0.215	2	120.4370	0.046	2	120.4370	0.046	2	120.4370	0.046	2	122.0121	1.577	20	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	N[6,6]	3:3:3:	3:3:3:	3:4:4:	C[6a,6a]-3:C[6,6a]-3:N[6,6]-3:	C[6,6a]-3:C[6,6a,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])	C[6a,6a](C[6,6a]C[6,6a]N[6,6])(C[6,6a,6a]C[6,6a]2)(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	C[6,6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6]){1|N<3>,4|C<3>,8|H<1>}	C[6a,6a](C[6,6a]C[6,6a]N[6,6])(C[6,6a,6a]C[6,6a]2)(C[6a]C[6a]H){1|H<1>,3|C<4>,4|C<3>}	N[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,5|C<3>}	117.9670	0.000	1	117.9670	0.000	1	117.9670	0.000	1	117.9670	0.000	1	117.9670	0.000	1	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	N[6]	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]H)	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]C)(H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]H){1|C<4>,2|H<1>,4|C<3>}	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|C<4>,3|H<1>,4|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]C)(H){1|H<1>,1|N<2>,3|C<3>}	119.1975	1.000	12	119.1975	0.999	12	119.4946	0.552	101	119.4603	0.545	110	119.7922	1.855	167	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	N[6]	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]H)	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]H){1|O<2>,2|H<1>,4|C<3>}	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|O<2>,3|H<1>,4|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,3|C<3>}	119.1910	0.000	1	119.6402	0.362	82	119.4946	0.552	101	119.4603	0.545	110	119.7922	1.855	167	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	N[6]	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]H)	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]H){2|H<1>,5|C<3>}	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(N[6a]C[6a]){3|H<1>,5|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,3|C<3>}	118.8597	0.837	3	119.6402	0.362	82	119.4946	0.552	101	119.4603	0.545	110	119.7922	1.855	167	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	N[6]	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]H)	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]H){3|H<1>,4|C<3>}	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|N<2>,3|H<1>,4|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,3|C<3>}	119.3110	0.000	1	119.6402	0.362	82	119.4946	0.552	101	119.4603	0.545	110	119.7922	1.855	167	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	N[6]	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]H)	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]H){3|H<1>,4|C<3>}	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|O<2>,3|H<1>,4|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,3|C<3>}	120.4010	0.000	1	119.6402	0.362	82	119.4946	0.552	101	119.4603	0.545	110	119.7922	1.855	167	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	N[6]	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]H)	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]H){3|H<1>,4|C<3>}	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(N[6a]C[6a]){3|H<1>,5|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,3|C<3>}	119.1300	0.438	3	119.6402	0.362	82	119.4946	0.552	101	119.4603	0.545	110	119.7922	1.855	167	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	N[6]	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]H)	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]H){3|H<1>,4|C<3>}	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(N[6a]C[6a]){4|C<3>,4|H<1>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,3|C<3>}	119.6935	0.576	73	119.6402	0.362	82	119.4946	0.552	101	119.4603	0.545	110	119.7922	1.855	167	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	N[6]	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]H)	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]Ir)(H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]H){1|Ir<6>,2|H<1>,4|C<3>}	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(N[6a]C[6a]){4|C<3>,4|H<1>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]Ir)(H){1|H<1>,1|N<2>,3|C<3>}	118.7680	0.041	2	118.7680	0.002	2	119.4946	0.552	101	119.4603	0.545	110	119.7922	1.855	167	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	N[6]	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]H)	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6])(H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]H){2|H<1>,5|C<3>}	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(N[6a]C[6a]){3|H<1>,5|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6])(H){1|H<1>,1|N<2>,5|C<3>}	118.1108	0.594	5	118.1108	0.353	5	119.4946	0.552	101	119.4603	0.545	110	119.7922	1.855	167	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	N[6]	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[5,6a]C[6])(N[6]C[6]H)	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]N[6])(N[6a]C[6a])	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[5,6a]C[6])(N[6]C[6]H){1|N<2>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]N[6])(N[6a]C[6a]){1|N<3>,3|H<1>,4|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,3|C<3>}	119.7860	0.000	1	119.5057	0.146	3	119.0748	0.339	9	119.4603	0.545	110	119.7922	1.855	167	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	N[6]	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[5,6a]C[6])(N[6]C[6]H)	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]N[6])(N[6a]C[6a])	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[5,6a]C[6])(N[6]C[6]H){1|N<3>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]N[6])(N[6a]C[6a]){1|N<2>,3|H<1>,4|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,3|C<3>}	119.6610	0.000	1	119.5057	0.146	3	119.0748	0.339	9	119.4603	0.545	110	119.7922	1.855	167	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	N[6]	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[5,6a]C[6])(N[6]C[6]H)	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]N[6])(N[6a]C[6a])	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[5,6a]C[6])(N[6]C[6]H){1|N<3>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]N[6])(N[6a]C[6a]){1|N<3>,3|H<1>,4|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,3|C<3>}	119.0700	0.000	1	119.5057	0.146	3	119.0748	0.339	9	119.4603	0.545	110	119.7922	1.855	167	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	N[6]	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[5a,6a]C[6])(N[6]C[6]H)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]N[6])(N[6a]C[6a])	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[5a,6a]C[6])(N[6]C[6]H){1|N<2>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]N[6])(N[6a]C[6a]){1|N<3>,3|H<1>,4|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,3|C<3>}	118.7655	0.503	2	119.1167	0.496	3	119.0748	0.339	9	119.4603	0.545	110	119.7922	1.855	167	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	N[6]	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[5a,6a]C[6])(N[6]C[6]H)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]N[6])(N[6a]C[6a])	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[5a,6a]C[6])(N[6]C[6]H){1|N<3>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]N[6])(N[6a]C[6a]){1|N<2>,3|H<1>,4|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,3|C<3>}	119.8190	0.000	1	119.1167	0.496	3	119.0748	0.339	9	119.4603	0.545	110	119.7922	1.855	167	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	N[6]	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a,6a]C[6])(N[6]C[6]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6])(N[6a]C[6a])	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a,6a]C[6])(N[6]C[6]H){1|N<2>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6])(N[6a]C[6a]){1|N<2>,3|H<1>,4|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,3|C<3>}	118.6020	0.310	3	118.6020	0.096	3	119.0748	0.339	9	119.4603	0.545	110	119.7922	1.855	167	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	N[6]	3:3:3:	3:3:2:	3:3:4:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6,6a]-3:C[6]-3:B-4:	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]B)	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(BC[6a]3)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]B){3|H<1>,4|C<3>}	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|B<4>,3|H<1>,4|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(BC[6a]3){1|H<1>,1|N<2>,3|C<3>}	123.5415	0.081	2	123.5415	0.007	2	123.5415	0.007	2	123.7622	0.817	5	119.7922	1.855	167	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	N[6]	3:3:3:	3:3:2:	3:3:4:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]C)	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(CCHH)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]C){3|H<1>,4|C<3>}	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(CCHH){1|H<1>,1|N<2>,3|C<3>}	124.6560	0.000	1	124.6280	0.002	2	124.6280	0.002	2	123.7622	0.817	5	119.7922	1.855	167	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	N[6]	3:3:3:	3:3:2:	3:3:4:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]C)	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(CCHH)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]C){3|H<1>,4|C<3>}	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|C<4>,3|H<1>,4|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(CCHH){1|H<1>,1|N<2>,3|C<3>}	124.6000	0.000	1	124.6280	0.002	2	124.6280	0.002	2	123.7622	0.817	5	119.7922	1.855	167	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	N[6]	3:3:3:	3:3:2:	3:3:4:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[5,6,6a]C[6])(N[6]C[6]C)	C[6a,6a](C[6a,6a]C[5,6,6a]C[6a])(C[6,6a]C[6,6a]N[6])(N[6a]C[6a])	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(CH3)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[5,6,6a]C[6])(N[6]C[6]C){1|C<4>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[5,6,6a]C[6a])(C[6,6a]C[6,6a]N[6])(N[6a]C[6a]){2|C<4>,2|H<1>,4|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(CH3){1|H<1>,1|N<2>,3|C<3>}	122.4720	0.000	1	122.4720	0.000	1	122.4720	0.000	1	123.7622	0.817	5	119.7922	1.855	167	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	N[6]	3:3:3:	3:3:2:	3:4:1:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]H)	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HP)(H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]H){1|C<4>,2|P<4>,3|C<3>,3|H<1>}	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(N[6a]C[6a]){2|C<3>,2|C<4>,4|H<1>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HP)(H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	117.7180	0.000	1	117.7180	0.000	1	117.7180	0.000	1	117.7180	0.000	1	119.7922	1.855	167	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	N[6]	3:3:3:	3:3:2:	3:4:3:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6,6a]-3:In[4]-4:C[6]-3:	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6]In[4]C[6])	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6](C[6,6a]C[6a,6a]C[6,6a])(In[4]Se[4,6]Se[4]Cl)(C[6]C[6]H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6]In[4]C[6]){1|Cl<1>,1|Se<2>,1|Se<3>,3|H<1>,4|C<3>}	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|In<4>,3|H<1>,4|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(In[4]Se[4,6]Se[4]Cl)(C[6]C[6]H){1|In<4>,1|In<6>,1|H<1>,1|N<2>,3|C<3>}	118.7260	0.000	1	118.7260	0.000	1	118.7260	0.000	1	118.6340	0.017	2	119.7922	1.855	167	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	N[6]	3:3:3:	3:3:2:	3:4:3:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6,6a]-3:In[6]-4:C[6]-3:	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6]In[6]C[6])	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6](C[6,6a]C[6a,6a]C[6,6a])(In[6]Se[4,6]Se[6]Cl)(C[6]C[6]H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6]In[6]C[6]){1|Cl<1>,1|Se<2>,1|Se<3>,3|H<1>,4|C<3>}	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|In<4>,3|H<1>,4|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(In[6]Se[4,6]Se[6]Cl)(C[6]C[6]H){1|In<4>,1|In<5>,1|In<6>,1|H<1>,1|N<2>,3|C<3>}	118.5420	0.000	1	118.5420	0.000	1	118.5420	0.000	1	118.6340	0.017	2	119.7922	1.855	167	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	N[6]	3:3:3:	3:3:2:	3:5:3:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6,6a]-3:Si-5:C[6]-3:	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]Si)	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6](C[6,6a]C[6a,6a]C[6,6a])(SiC[6a]Cl3)(C[6]C[6]H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]Si){3|H<1>,4|C<3>}	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|Si<5>,3|H<1>,4|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(SiC[6a]Cl3)(C[6]C[6]H){1|H<1>,1|N<2>,3|C<3>}	115.0510	0.000	1	115.0510	0.000	1	115.0510	0.000	1	115.0510	0.000	1	119.7922	1.855	167	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6a,6a]-3:C[6a,6a]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6a,6a]C[6a,6a]2)(C[6,6a]C[6a]C[6])(N[6]C[6]O)	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a,6a]2)(C[6a,6a]C[6a]2)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6])(O)	C[6,6a](C[6a,6a]C[6a,6a]2)(C[6,6a]C[6a]C[6])(N[6]C[6]O){2|H<1>,6|C<3>}	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a,6a]2)(C[6a,6a]C[6a]2){1|O<1>,2|H<1>,7|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6])(O){1|H<1>,1|N<2>,5|C<3>}	121.0690	0.000	1	121.0690	0.000	1	121.0690	0.000	1	120.5282	1.560	25	119.7922	1.855	167	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[5,6]H)	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]C[5])(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[5,6]H){1|C<4>,3|H<1>,5|C<3>}	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]C[5])(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	118.9743	1.086	3	118.8932	0.813	4	118.8932	0.813	4	120.5282	1.560	25	119.7922	1.855	167	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[5,6]H)	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]C[5])(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[5,6]H){1|C<4>,3|H<1>,5|C<3>}	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]C[5])(H){2|C<4>,2|H<1>,4|C<3>}	118.6500	0.000	1	118.8932	0.813	4	118.8932	0.813	4	120.5282	1.560	25	119.7922	1.855	167	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[6,6]H)	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[6,6]H){1|C<4>,1|N<2>,3|H<1>,4|C<3>}	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(H){2|C<4>,2|H<1>,4|C<3>}	118.9840	0.519	2	118.9840	0.269	2	118.9840	0.269	2	120.5282	1.560	25	119.7922	1.855	167	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]H)	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]2)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]H){3|H<1>,5|C<3>}	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]2){4|H<1>,6|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	122.6020	0.000	1	122.6020	0.000	1	120.9332	0.975	14	120.5282	1.560	25	119.7922	1.855	167	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]H)	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]H){4|C<3>,4|H<1>}	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){4|C<3>,4|H<1>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	121.0479	0.418	8	121.0479	0.175	8	120.9332	0.975	14	120.5282	1.560	25	119.7922	1.855	167	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]H)	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]O)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]O)(H){1|C<4>,2|H<1>,3|C<3>}	118.7570	0.000	1	118.7570	0.000	1	120.9332	0.975	14	120.5282	1.560	25	119.7922	1.855	167	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]H)	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]Os)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]H){1|Os<7>,3|H<1>,4|C<3>}	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){4|C<3>,4|H<1>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]Os)(H){1|H<1>,4|C<3>}	119.8605	0.015	2	119.8605	0.000	2	120.9332	0.975	14	120.5282	1.560	25	119.7922	1.855	167	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]H)	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]O)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]H){1|O<2>,3|H<1>,4|C<3>}	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]O){4|C<3>,4|H<1>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	121.8010	0.123	2	121.8010	0.015	2	120.9332	0.975	14	120.5282	1.560	25	119.7922	1.855	167	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6a,6a]-3:N[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]H)	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(N[6a]C[6a]H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]H){4|C<3>,4|H<1>}	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(N[6a]C[6a]H){4|C<3>,4|H<1>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	121.5230	0.000	1	121.5230	0.000	1	121.5230	0.000	1	120.5282	1.560	25	119.7922	1.855	167	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6a,6a]-3:C[5,6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[5,6a,6a]C[6a,6a])(C[6,6a]C[6a]C[6])(N[6]C[6]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a,6a]C[5,6a]2)(C[6,6a]C[6,6a]N[6])	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[5,6a,6a]C[6a,6a])(C[6,6a]C[6a]C[6])(N[6]C[6]H){1|N<2>,3|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a,6a]C[5,6a]2)(C[6,6a]C[6,6a]N[6]){1|H<1>,2|C<4>,6|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	120.6440	0.000	1	120.6440	0.000	1	120.6440	0.000	1	120.5282	1.560	25	119.7922	1.855	167	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6a,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(N[6]C[6,6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(N[6]C[6,6a]H){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(H){1|H<1>,1|N<2>,5|C<3>}	121.6820	0.581	2	121.6820	0.338	2	121.6820	0.338	2	120.5282	1.560	25	119.7922	1.855	167	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	N[6]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6a,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(N[6]C[6,6a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(N[6]C[6,6a]C[6a]){1|H<1>,9|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a]){1|N<3>,2|H<1>,8|C<3>}	119.5070	0.000	1	119.5070	0.000	1	120.0813	2.838	9	120.0813	2.838	9	119.7922	1.855	167	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	N[6]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6a,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(N[6]C[6,6a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(N[6]C[6,6a]C[6a]){1|H<1>,8|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H){1|N<2>,2|H<1>,5|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2){1|N<2>,3|H<1>,7|C<3>}	124.2750	0.000	1	120.1531	3.190	8	120.0813	2.838	9	120.0813	2.838	9	119.7922	1.855	167	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	N[6]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6a,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(N[6]C[6,6a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(N[6]C[6,6a]C[6a]){1|H<1>,9|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2){1|N<3>,3|H<1>,7|C<3>}	119.5643	0.697	7	120.1531	3.190	8	120.0813	2.838	9	120.0813	2.838	9	119.7922	1.855	167	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(C[6a]C[5,6a]H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]H)(CH3)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[6]C[6]C){3|H<1>,5|C<3>}	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(C[6a]C[5,6a]H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]H)(CH3){5|C<3>}	122.0292	0.962	5	122.0292	0.925	5	122.0292	0.925	5	122.0292	0.925	5	119.7922	1.855	167	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	N[6]	3:3:3:	3:3:3:	3:4:1:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[3x6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6a,6a]C[3x6a]C[6a])(C[6,6a]C[6a,6a]N[6])(N[6]C[6]H)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(H)	C[6,6a](C[6a,6a]C[3x6a]C[6a])(C[6,6a]C[6a,6a]N[6])(N[6]C[6]H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(H){1|N<3>,2|H<1>,3|C<3>}	122.3840	0.000	1	122.3840	0.000	1	122.3840	0.000	1	120.8470	4.725	2	119.7922	1.855	167	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	N[6]	3:3:3:	3:3:3:	3:4:1:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a]-3:P[6]-4:H-1:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]P[6]H)	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(P[6]C[6]OO)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]P[6]H){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|P<4>,3|C<3>,4|H<1>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(P[6]C[6]OO)(H){5|C<3>}	119.3100	0.000	1	119.3100	0.000	1	119.3100	0.000	1	120.8470	4.725	2	119.7922	1.855	167	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	N[6]	3:3:3:	3:3:3:	3:4:3:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]C)	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(CC[6a]O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]C){1|C<4>,3|C<3>,6|H<1>}	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(CC[6a]O){1|C<4>,2|H<1>,3|C<3>}	118.8940	0.000	1	118.8940	0.000	1	118.8940	0.000	1	119.2125	0.203	2	119.7922	1.855	167	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	N[6]	3:3:3:	3:3:3:	3:4:3:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6]){1|C<2>,2|H<1>,8|C<3>}	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2){2|H<1>,9|C<3>}	119.5310	0.000	1	119.5310	0.000	1	119.5310	0.000	1	119.2125	0.203	2	119.7922	1.855	167	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(C[6a]C[5,6a]H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]CH)(CH3)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[6]C[6]C){1|C<4>,3|H<1>,5|C<3>}	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(C[6a]C[5,6a]H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]CH)(CH3){5|C<3>}	117.9025	0.296	2	117.9025	0.088	2	117.8033	0.073	3	118.3236	0.785	5	119.7922	1.855	167	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]C)	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6]H)(CC[6a]HH)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]C){2|C<4>,4|C<3>,4|H<1>}	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){2|C<3>,3|C<4>,3|H<1>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6]H)(CC[6a]HH){1|C<4>,2|H<1>,5|C<3>}	117.6050	0.000	1	117.6050	0.000	1	117.8033	0.073	3	118.3236	0.785	5	119.7922	1.855	167	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]S[6])(N[6]C[6]S)	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(SC[6a]OO)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]S[6])(N[6]C[6]S){1|C<4>,3|C<3>,4|H<1>}	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|S<2>,1|S<4>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(SC[6a]OO){1|S<2>,2|H<1>,3|C<3>}	119.7980	0.000	1	119.7980	0.000	1	119.7980	0.000	1	118.3236	0.785	5	119.7922	1.855	167	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a]-3:S[6]-4:C-4:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]C[6a])(N[6]S[6]C)	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(S[6]C[5,6]OO)(CCHH)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]C[6a])(N[6]S[6]C){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>,3|O<1>}	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(S[6]C[5,6]OO)(CCHH){1|H<1>,2|C<4>,3|C<3>}	118.4100	0.000	1	118.4100	0.000	1	118.4100	0.000	1	118.3236	0.785	5	119.7922	1.855	167	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6,6]	3:3:3:	3:3:1:	3:3:2:	N[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6,6a]-3:N[6]-2:	C[6,6a](N[6,6]C[6,6,6a]N[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]C)(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6,6a]C[6,6a]2)(N[6]C[6])	C[6,6a](N[6,6]C[6,6,6a]N[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]C)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6,6a]C[6,6a]2)(N[6]C[6]){1|H<1>,1|N<2>,1|O<2>,5|C<3>}	121.4720	0.000	1	121.4720	0.000	1	121.4720	0.000	1	121.4720	0.000	1	120.5619	2.827	181	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6,6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:B[3x6]-3:B[6]-3:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[6,6]B[3x6]B[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a,6a]N[6,6])(C[6a]C[6a]H)(H)	N[6,6](C[6,6a]C[6,6a,6a]C[6a])(B[3x6]B[6,6,6a]N[6,6])(B[6]B[6]N)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[6,6]B[3x6]B[6])(C[6a]C[6a]H){1|H<1>,2|B<3>,2|N<3>,3|C<3>}	C[6a](C[6,6a]C[6,6a,6a]N[6,6])(C[6a]C[6a]H)(H){1|H<1>,2|B<3>,2|C<3>}	N[6,6](C[6,6a]C[6,6a,6a]C[6a])(B[3x6]B[6,6,6a]N[6,6])(B[6]B[6]N){1|B<3>,1|H<1>,3|C<3>,3|N<3>}	122.1470	0.000	1	122.1470	0.000	1	122.1470	0.000	1	121.9396	2.699	28	120.5619	2.827	181	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6,6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a,6a]-3:F-1:	C[6,6a]-3:C[6,6]-3:C[6]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a,6a]F)	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a,6a]C[6a,6a]2)(F)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a,6a]F){1|F<1>,1|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a,6a]C[6a,6a]2)(F){1|N<3>,6|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6])(C[6]C[6]H){1|F<1>,2|H<1>,5|C<3>}	121.5690	0.000	1	121.5690	0.000	1	121.5690	0.000	1	121.9396	2.699	28	120.5619	2.827	181	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6,6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-3:C[6,6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]2)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6,6]C[6]N[6])	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]2)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6,6]C[6]N[6]){1|C<2>,2|C<4>,4|C<3>,4|H<1>}	121.9510	0.000	2	121.9510	0.000	2	121.9510	0.000	2	121.9396	2.699	28	120.5619	2.827	181	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6,6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]N)(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]N)(H){1|H<1>,1|N<2>,3|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]H){1|N<2>,3|C<3>,4|H<1>}	122.5760	0.000	1	122.5760	0.000	1	122.5760	0.000	1	121.9396	2.699	28	120.5619	2.827	181	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6,6]	3:3:3:	3:3:1:	3:3:3:	N[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[5a,6,6]-3:C[6,6a]-3:C[6]-3:	C[6,6a](N[6,6]C[5a,6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H)	N[6,6](C[5a,6,6]C[5a,6]N[5a,6])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](N[6,6]C[5a,6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,1|P<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6,6](C[5a,6,6]C[5a,6]N[5a,6])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|N<2>,2|C<4>,3|C<3>,3|H<1>}	120.5130	0.018	2	120.5130	0.000	2	120.5130	0.000	2	121.9396	2.699	28	120.5619	2.827	181	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6,6]	3:3:3:	3:3:1:	3:3:3:	N[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6,6]-3:C[6]-3:	C[6,6a](N[6,6]C[5,6,6]C[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6,6]C[5,6]2)(C[6]C[6]N)	C[6,6a](N[6,6]C[5,6,6]C[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6,6]C[5,6]2)(C[6]C[6]N){1|C<2>,1|H<1>,1|N<2>,1|N<3>,4|C<3>}	122.9920	0.190	3	122.9920	0.036	3	122.9920	0.036	3	121.9396	2.699	28	120.5619	2.827	181	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6,6]	3:3:3:	3:3:1:	3:3:3:	N[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6,6,6a]-3:	C[6,6a](N[6,6]C[6,6,6a]C[6,6a])(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H)	N[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6,6a]C[6,6a]2)	C[6,6a](N[6,6]C[6,6,6a]C[6,6a])(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6,6a]C[6,6a]2){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	121.2308	0.448	4	120.8396	0.916	5	121.8951	3.811	18	121.9396	2.699	28	120.5619	2.827	181	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6,6]	3:3:3:	3:3:1:	3:3:3:	N[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6,6,6a]-3:	C[6,6a](N[6,6]C[6,6,6a]C[6,6a])(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H)	N[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6,6a]C[6,6a]2)	C[6,6a](N[6,6]C[6,6,6a]C[6,6a])(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6,6a]C[6,6a]2){1|C<4>,1|S<2>,2|H<1>,6|C<3>}	119.2750	0.000	1	120.8396	0.916	5	121.8951	3.811	18	121.9396	2.699	28	120.5619	2.827	181	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6,6]	3:3:3:	3:3:1:	3:3:3:	N[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6,6,6a]-3:	C[6,6a](N[6,6]C[6,6,6a]C[6,6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H)	N[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6,6a]C[6,6a]2)	C[6,6a](N[6,6]C[6,6,6a]C[6,6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6,6a]C[6,6a]2){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	123.9112	1.383	4	123.6531	0.906	8	121.8951	3.811	18	121.9396	2.699	28	120.5619	2.827	181	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6,6]	3:3:3:	3:3:1:	3:3:3:	N[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6,6,6a]-3:	C[6,6a](N[6,6]C[6,6,6a]C[6,6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H)	N[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6,6a]C[6,6a]2)	C[6,6a](N[6,6]C[6,6,6a]C[6,6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6,6a]C[6,6a]2){2|H<1>,2|O<2>,6|C<3>}	123.3950	0.153	4	123.6531	0.906	8	121.8951	3.811	18	121.9396	2.699	28	120.5619	2.827	181	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6,6]	3:3:3:	3:3:1:	3:3:3:	N[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6,6,6a]-3:	C[6,6a](N[6,6]C[6,6,6a]C[6,6a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H)	N[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6,6a]C[6,6a]2)	C[6,6a](N[6,6]C[6,6,6a]C[6,6a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H){1|C<4>,1|S<2>,3|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6,6a]C[6,6a]2){2|H<1>,2|S<2>,6|C<3>}	119.3075	0.435	2	120.5033	2.122	4	121.8951	3.811	18	121.9396	2.699	28	120.5619	2.827	181	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6,6]	3:3:3:	3:3:1:	3:3:3:	N[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6,6,6a]-3:	C[6,6a](N[6,6]C[6,6,6a]C[6,6a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H)	N[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6,6a]C[6,6a]2)	C[6,6a](N[6,6]C[6,6,6a]C[6,6a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6,6a]C[6,6a]2){1|C<4>,1|S<2>,2|H<1>,6|C<3>}	121.2210	0.000	1	120.5033	2.122	4	121.8951	3.811	18	121.9396	2.699	28	120.5619	2.827	181	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6,6]	3:3:3:	3:3:1:	3:3:3:	N[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6,6,6a]-3:	C[6,6a](N[6,6]C[6,6,6a]C[6,6a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H)	N[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6,6a]C[6,6a]2)	C[6,6a](N[6,6]C[6,6,6a]C[6,6a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6,6a]C[6,6a]2){2|H<1>,2|S<2>,6|C<3>}	122.1770	0.000	1	120.5033	2.122	4	121.8951	3.811	18	121.9396	2.699	28	120.5619	2.827	181	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6,6]	3:3:3:	3:3:1:	3:3:3:	N[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6,6,6a]-3:	C[6,6a](N[6,6]C[6,6,6a]C[6,6a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]O)(H)	N[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6,6a]C[6,6a]2)	C[6,6a](N[6,6]C[6,6,6a]C[6,6a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){2|O<2>,5|C<3>}	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]O)(H){1|O<2>,1|S<2>,3|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6,6a]C[6,6a]2){2|H<1>,2|S<2>,6|C<3>}	118.6760	0.000	1	118.6760	0.000	1	121.8951	3.811	18	121.9396	2.699	28	120.5619	2.827	181	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6,6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-3:B[6]-4:	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]B[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6])(B[6]N[6,6]FF)	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]B[6])(C[6a]C[6a]H){1|N<3>,2|F<1>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,3|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6])(B[6]N[6,6]FF){2|H<1>,6|C<3>}	120.3580	0.000	1	120.3580	0.000	1	121.2791	0.304	27	121.4100	0.574	32	120.5619	2.827	181	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6,6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-3:B[6]-4:	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]B[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6])(B[6]O[6]FF)	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]B[6])(C[6a]C[6a]H){1|O<2>,2|F<1>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,3|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6])(B[6]O[6]FF){2|H<1>,5|C<3>}	120.2413	0.228	3	120.2413	0.052	3	121.2791	0.304	27	121.4100	0.574	32	120.5619	2.827	181	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6,6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-3:B[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]B[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(B[6]O[6]FF)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]B[6])(C[6a]C[6a]H){1|O<2>,2|F<1>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,3|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(B[6]O[6]FF){2|H<1>,5|C<3>}	121.1285	0.411	2	121.1285	0.169	2	121.2791	0.304	27	121.4100	0.574	32	120.5619	2.827	181	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6,6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-3:B[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]B[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6])(B[6]O[6]FF)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]B[6])(C[6a]C[6a]H){1|O<2>,2|F<1>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,3|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6])(B[6]O[6]FF){2|H<1>,5|C<3>}	121.5800	0.000	1	121.5800	0.000	1	121.2791	0.304	27	121.4100	0.574	32	120.5619	2.827	181	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6,6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-3:B[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]B[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(B[6]N[6]FF)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]B[6])(C[6a]C[6a]H){1|N<3>,2|F<1>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,3|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(B[6]N[6]FF){1|C<2>,1|N<2>,2|H<1>,4|C<3>}	121.4910	0.000	1	121.4910	0.000	1	121.2791	0.304	27	121.4100	0.574	32	120.5619	2.827	181	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6,6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-3:B[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]B[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(B[6]O[6]FF)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]B[6])(C[6a]C[6a]H){1|O<2>,2|F<1>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,3|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(B[6]O[6]FF){3|H<1>,4|C<3>}	121.2168	0.108	6	121.2168	0.012	6	121.2791	0.304	27	121.4100	0.574	32	120.5619	2.827	181	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6,6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-3:B[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]B[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6])(B[6]N[5,6]FF)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]B[6])(C[6a]C[6a]H){1|N<2>,1|N<3>,2|C<3>,2|F<1>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,3|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6])(B[6]N[5,6]FF){2|H<1>,5|C<3>}	121.1747	0.103	3	121.1747	0.011	3	121.2791	0.304	27	121.4100	0.574	32	120.5619	2.827	181	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6,6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-3:B[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]B[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6])(B[6]N[6,6]FF)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]B[6])(C[6a]C[6a]H){1|N<2>,1|N<3>,2|C<3>,2|F<1>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,3|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6])(B[6]N[6,6]FF){2|H<1>,5|C<3>}	121.4865	0.087	2	121.4865	0.008	2	121.2791	0.304	27	121.4100	0.574	32	120.5619	2.827	181	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6,6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-3:B[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]B[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6])(B[6]N[6]FF)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]B[6])(C[6a]C[6a]H){1|N<2>,1|N<3>,2|C<3>,2|F<1>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,3|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6])(B[6]N[6]FF){2|H<1>,5|C<3>}	121.4340	0.000	1	121.4340	0.000	1	121.2791	0.304	27	121.4100	0.574	32	120.5619	2.827	181	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6,6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-3:B[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]B[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6])(B[6]O[6]FF)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]B[6])(C[6a]C[6a]H){1|N<2>,1|O<2>,2|C<3>,2|F<1>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,3|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6])(B[6]O[6]FF){2|H<1>,4|C<3>}	121.1480	0.000	1	121.1480	0.000	1	121.2791	0.304	27	121.4100	0.574	32	120.5619	2.827	181	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6,6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-3:B[6]-4:	C[6,6a](C[6,6a]C[6a]N[6])(N[6,6]C[6,6]B[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(B[6]O[6]FF)	C[6,6a](C[6,6a]C[6a]N[6])(N[6,6]C[6,6]B[6])(C[6a]C[6a]H){1|O<2>,2|F<1>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|N<2>,2|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(B[6]O[6]FF){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	121.9560	0.530	2	121.9575	0.066	6	121.2791	0.304	27	121.4100	0.574	32	120.5619	2.827	181	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6,6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-3:B[6]-4:	C[6,6a](C[6,6a]C[6a]N[6])(N[6,6]C[6,6]B[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(B[6]O[6]FF)	C[6,6a](C[6,6a]C[6a]N[6])(N[6,6]C[6,6]B[6])(C[6a]C[6a]H){1|O<2>,2|F<1>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|N<2>,2|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(B[6]O[6]FF){1|N<2>,2|H<1>,4|C<3>}	122.0020	0.190	2	121.9575	0.066	6	121.2791	0.304	27	121.4100	0.574	32	120.5619	2.827	181	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6,6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-3:B[6]-4:	C[6,6a](C[6,6a]C[6a]N[6])(N[6,6]C[6,6]B[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(B[6]O[6]FF)	C[6,6a](C[6,6a]C[6a]N[6])(N[6,6]C[6,6]B[6])(C[6a]C[6a]H){1|O<2>,2|F<1>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|N<2>,2|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(B[6]O[6]FF){1|N<2>,3|C<3>,3|H<1>}	121.9145	0.084	2	121.9575	0.066	6	121.2791	0.304	27	121.4100	0.574	32	120.5619	2.827	181	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6,6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]O)(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,5|H<1>}	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]O)(H){1|H<1>,2|C<3>,2|C<4>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6])(C[6]C[6]HH){2|C<3>,2|C<4>,6|H<1>}	120.4950	0.000	1	120.4950	0.000	1	120.4950	0.000	1	121.4100	0.574	32	120.5619	2.827	181	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6,6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C[6,6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6,6]C[6]2H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){4|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6,6]C[6]2H){1|N<3>,3|H<1>,6|C<3>}	122.6770	0.000	1	123.0095	0.221	2	123.0095	0.221	2	121.4100	0.574	32	120.5619	2.827	181	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6,6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C[6,6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6,6]C[6]2H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){4|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,3|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6,6]C[6]2H){1|N<3>,3|H<1>,6|C<3>}	123.3420	0.000	1	123.0095	0.221	2	123.0095	0.221	2	121.4100	0.574	32	120.5619	2.827	181	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6,6]	3:3:3:	3:3:1:	3:3:4:	N[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:	C[6,6a](N[6,6]C[6,6a]C[6,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H)	N[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]O[6]H)	C[6,6a](N[6,6]C[6,6a]C[6,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,4|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]O[6]H){1|C<4>,3|H<1>,5|C<3>}	123.1490	0.000	1	122.0360	2.478	2	122.0360	2.478	2	121.4100	0.574	32	120.5619	2.827	181	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6,6]	3:3:3:	3:3:1:	3:3:4:	N[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:	C[6,6a](N[6,6]C[6,6a]C[6,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H)	N[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]O[6]H)	C[6,6a](N[6,6]C[6,6a]C[6,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,4|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]O[6]H){1|C<4>,3|H<1>,5|C<3>}	120.9230	0.000	1	122.0360	2.478	2	122.0360	2.478	2	121.4100	0.574	32	120.5619	2.827	181	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6,6]	3:3:3:	3:3:1:	3:3:5:	N[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:Nb[6,6]-5:	C[6,6a](N[6,6]C[6,6a]Nb[6,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H)	N[6,6](C[6,6a]C[6,6a]C[6a])2(Nb[6,6]O[6]2CC)	C[6,6a](N[6,6]C[6,6a]Nb[6,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|H<1>,2|O<2>,3|C<3>,4|C<4>}	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H){1|Nb<5>,2|C<3>,2|C<4>}	N[6,6](C[6,6a]C[6,6a]C[6a])2(Nb[6,6]O[6]2CC){2|C<4>,2|H<1>,4|C<3>}	118.7810	0.345	2	118.7810	0.119	2	118.7810	0.119	2	118.7810	0.119	2	120.5619	2.827	181	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6,6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:B[3x6]-4:C[6,6]-3:	C[6,6a](C[6,6a]N[6,6a]C[6])(N[6,6]B[3x6]C[6,6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6,6a]H)(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(B[3x6]C[6,6]2C[6])(C[6,6]C[6,6a]C[6])	C[6,6a](C[6,6a]N[6,6a]C[6])(N[6,6]B[3x6]C[6,6])(C[6a]C[6a]H){1|B<4>,2|H<1>,3|C<3>,3|C<4>}	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6,6a]H)(H){1|B<4>,1|N<3>,3|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(B[3x6]C[6,6]2C[6])(C[6,6]C[6,6a]C[6]){1|N<3>,4|C<3>,5|C<4>,5|H<1>}	120.9270	0.000	1	120.9270	0.000	1	120.9270	0.000	1	121.8459	1.051	16	120.5619	2.827	181	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6,6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:B[6]-4:C[6,6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]B[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]FF)(C[6,6]C[6]2)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]B[6])(C[6a]C[6a]H){1|N<3>,2|F<1>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,3|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]FF)(C[6,6]C[6]2){3|H<1>,5|C<3>}	121.6710	0.000	1	121.6710	0.000	1	121.4903	0.056	3	121.8459	1.051	16	120.5619	2.827	181	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6,6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:B[6]-4:C[6,6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]B[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]FF)(C[6,6]C[6]2)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]B[6])(C[6a]C[6a]H){1|N<3>,2|F<1>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,3|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]FF)(C[6,6]C[6]2){3|H<1>,5|C<3>}	121.4000	0.250	2	121.4000	0.063	2	121.4903	0.056	3	121.8459	1.051	16	120.5619	2.827	181	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6,6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6a](C[6,6a]C[3,6]C[6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3,6]C[6]H)(C[6]C[6a]C[6])	C[6,6a](C[6,6a]C[3,6]C[6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){3|C<3>,3|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3,6]C[6]H)(C[6]C[6a]C[6]){1|N<3>,2|C<4>,4|C<3>,5|H<1>}	122.0710	0.000	1	122.0710	0.000	1	122.0114	1.282	12	121.8459	1.051	16	120.5619	2.827	181	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6,6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[3]N[6])	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[3]N[6]){2|C<4>,3|H<1>,5|C<3>}	122.6220	0.000	1	122.6220	0.000	1	122.0114	1.282	12	121.8459	1.051	16	120.5619	2.827	181	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6,6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6a]C[6])	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H){2|C<4>,3|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6a]C[6]){1|H<1>,1|I<1>,1|N<3>,7|C<3>}	123.3640	0.000	1	123.3640	0.000	1	122.0114	1.282	12	121.8459	1.051	16	120.5619	2.827	181	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6,6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]O[6]H)(C[6]C[6a]C[6])	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|O<2>,4|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]O[6]H)(C[6]C[6a]C[6]){1|C<4>,2|H<1>,6|C<3>}	123.1830	0.000	1	123.1830	0.000	1	122.0114	1.282	12	121.8459	1.051	16	120.5619	2.827	181	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6,6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O)(C[6]C[6]O){1|C<4>,1|N<2>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	120.2490	0.000	1	120.7365	0.475	2	122.0114	1.282	12	121.8459	1.051	16	120.5619	2.827	181	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6,6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O)(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	121.2240	0.000	1	120.7365	0.475	2	122.0114	1.282	12	121.8459	1.051	16	120.5619	2.827	181	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6,6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]C)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]C)(C[6]C[6]O){2|C<4>,3|C<3>,4|H<1>}	121.8490	0.000	1	121.8490	0.000	1	122.0114	1.282	12	121.8459	1.051	16	120.5619	2.827	181	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6,6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|O<1>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	123.4350	0.000	1	123.4350	0.000	1	122.0114	1.282	12	121.8459	1.051	16	120.5619	2.827	181	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6,6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6a]C[6])	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|O<2>,4|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6a]C[6]){1|C<4>,2|H<1>,6|C<3>}	122.5910	0.000	1	122.5120	0.012	2	122.0114	1.282	12	121.8459	1.051	16	120.5619	2.827	181	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6,6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6a]C[6])	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|O<2>,4|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6a]C[6]){1|C<4>,3|H<1>,5|C<3>}	122.4330	0.000	1	122.5120	0.012	2	122.0114	1.282	12	121.8459	1.051	16	120.5619	2.827	181	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6,6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6a](C[6,6a]C[6a]S[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(C[6]C[6,6a]O)	C[6,6a](C[6,6a]C[6a]S[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(C[6]C[6,6a]O){1|H<1>,1|S<2>,2|C<4>,4|C<3>}	120.5580	0.076	2	120.5580	0.006	2	122.0114	1.282	12	121.8459	1.051	16	120.5619	2.827	181	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6,6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[3x6]-4:C[6]-4:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[6,6]C[3x6]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a,6a]N[6,6])(C[6a]C[6a]H)(H)	N[6,6](C[6,6a]C[6,6a,6a]C[6a])(C[3x6]N[6,6]2H)(C[6]C[6]HH)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[6,6]C[3x6]C[6])(C[6a]C[6a]H){1|C<4>,2|N<3>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a,6a]N[6,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6,6](C[6,6a]C[6,6a,6a]C[6a])(C[3x6]N[6,6]2H)(C[6]C[6]HH){3|C<3>,3|C<4>,3|H<1>}	123.2390	0.000	1	123.2390	0.000	1	123.2390	0.000	1	119.4748	1.939	73	120.5619	2.827	181	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6,6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a,6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a,6a]H)	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a,6a]C[6a,6a]2)(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a,6a]H){1|N<3>,3|C<3>,7|H<1>}	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a,6a]C[6a,6a]2)(H){3|C<4>,4|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|H<1>,4|C<3>}	118.9960	0.000	1	118.9960	0.000	1	118.9960	0.000	1	119.4748	1.939	73	120.5619	2.827	181	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6,6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:Br-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]Br)	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(Br)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]Br){1|N<3>,2|C<3>,8|H<1>}	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(Br){1|C<3>,4|C<4>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|Br<1>,1|C<4>,4|C<3>}	120.6300	0.625	6	120.6300	0.391	6	120.6300	0.391	6	119.4748	1.939	73	120.5619	2.827	181	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6,6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:F-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]F)	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]F)(F)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]F){1|N<3>,2|C<3>,2|F<1>,6|H<1>}	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]F)(F){1|C<3>,1|F<1>,3|C<4>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|F<1>,4|C<3>}	120.0950	0.000	1	120.0950	0.000	1	120.0950	0.000	1	119.4748	1.939	73	120.5619	2.827	181	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6,6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]O[6]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]O[6]H)(C[6]C[6]HH){1|C<4>,3|H<1>,4|C<3>}	122.7380	0.000	1	122.7380	0.000	1	119.3054	1.794	64	119.4748	1.939	73	120.5619	2.827	181	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6,6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a](C[6,6a]C[6a,6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a,6a]H)(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]HH)(C[6]N[6]HH)	C[6,6a](C[6,6a]C[6a,6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,7|H<1>}	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a,6a]H)(H){2|C<3>,3|C<4>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]HH)(C[6]N[6]HH){1|C<4>,1|H<1>,4|C<3>}	116.2380	0.000	1	116.2380	0.000	1	119.3054	1.794	64	119.4748	1.939	73	120.5619	2.827	181	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6,6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a](C[6,6a]C[6a,6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a,6a]H)(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]C[6a,6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|N<3>,3|C<3>,7|H<1>}	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a,6a]H)(H){2|C<3>,3|C<4>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|H<1>,4|C<3>}	117.1910	0.083	2	117.1910	0.007	2	119.3054	1.794	64	119.4748	1.939	73	120.5619	2.827	181	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6,6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]Br)(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|Br<1>,1|C<3>,3|C<4>,6|H<1>}	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,3|C<4>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH){1|C<2>,1|C<4>,1|O<2>,3|C<3>,5|H<1>}	120.8630	0.000	1	120.8630	0.000	1	119.3054	1.794	64	119.4748	1.939	73	120.5619	2.827	181	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6,6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]Br)(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|Br<1>,1|N<3>,2|C<3>,7|H<1>}	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]Br)(H){1|C<3>,4|C<4>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|H<1>,4|C<3>}	118.7210	0.000	1	118.7210	0.000	1	119.3054	1.794	64	119.4748	1.939	73	120.5619	2.827	181	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6,6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,7|H<1>}	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH){1|C<4>,1|O<2>,4|C<3>,5|H<1>}	121.0350	0.000	1	121.0350	0.000	1	119.3054	1.794	64	119.4748	1.939	73	120.5619	2.827	181	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6,6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5a,6]N[6]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5a,6]N[6]H)(C[6]C[6]HH){1|N<3>,4|C<3>,4|H<1>}	119.9790	0.000	1	119.9790	0.000	1	119.3054	1.794	64	119.4748	1.939	73	120.5619	2.827	181	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6,6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,7|H<1>}	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,3|C<4>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH){1|C<4>,1|O<2>,4|C<3>,5|H<1>}	121.8020	0.000	1	121.8020	0.000	1	119.3054	1.794	64	119.4748	1.939	73	120.5619	2.827	181	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6,6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,7|H<1>}	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,3|C<4>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH){1|C<4>,4|H<1>,5|C<3>}	119.9200	0.000	1	120.3355	0.345	2	119.3054	1.794	64	119.4748	1.939	73	120.5619	2.827	181	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6,6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,7|H<1>}	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH){1|C<4>,4|H<1>,5|C<3>}	120.7510	0.000	1	120.3355	0.345	2	119.3054	1.794	64	119.4748	1.939	73	120.5619	2.827	181	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6,6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H){1|Cl<1>,2|C<3>,2|C<4>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]HH){1|C<4>,3|H<1>,5|C<3>}	123.4160	0.000	1	122.5500	0.632	4	119.3054	1.794	64	119.4748	1.939	73	120.5619	2.827	181	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6,6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]HH){1|C<4>,3|H<1>,5|C<3>}	122.7070	0.000	1	122.5500	0.632	4	119.3054	1.794	64	119.4748	1.939	73	120.5619	2.827	181	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6,6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]HH){1|N<3>,3|H<1>,5|C<3>}	122.5850	0.000	1	122.5500	0.632	4	119.3054	1.794	64	119.4748	1.939	73	120.5619	2.827	181	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6,6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,7|H<1>}	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]HH){2|C<4>,3|H<1>,4|C<3>}	121.4920	0.000	1	122.5500	0.632	4	119.3054	1.794	64	119.4748	1.939	73	120.5619	2.827	181	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6,6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,7|H<1>}	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,3|C<4>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH){1|C<2>,2|C<4>,3|C<3>,5|H<1>}	121.6080	0.000	1	121.6080	0.000	1	119.3054	1.794	64	119.4748	1.939	73	120.5619	2.827	181	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6,6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]CH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,6|H<1>}	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H){1|C<3>,4|C<4>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]CH){1|C<4>,1|H<1>,4|C<3>}	119.2520	0.000	1	119.2520	0.000	1	119.3054	1.794	64	119.4748	1.939	73	120.5619	2.827	181	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6,6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|Br<1>,1|N<3>,2|C<3>,7|H<1>}	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H){1|C<3>,4|C<4>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|H<1>,4|C<3>}	118.9780	0.000	1	118.9002	0.131	45	119.3054	1.794	64	119.4748	1.939	73	120.5619	2.827	181	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6,6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,8|H<1>}	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,3|C<4>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|H<1>,4|C<3>}	119.3350	0.221	2	118.9002	0.131	45	119.3054	1.794	64	119.4748	1.939	73	120.5619	2.827	181	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6,6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,8|H<1>}	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,3|C<4>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|H<1>,4|C<3>}	118.7615	0.260	2	118.9002	0.131	45	119.3054	1.794	64	119.4748	1.939	73	120.5619	2.827	181	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6,6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,8|H<1>}	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|H<1>,4|C<3>}	118.7550	0.000	1	118.9002	0.131	45	119.3054	1.794	64	119.4748	1.939	73	120.5619	2.827	181	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6,6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,8|H<1>}	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H){1|C<3>,1|I<1>,3|C<4>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|H<1>,4|C<3>}	118.8687	0.144	3	118.9002	0.131	45	119.3054	1.794	64	119.4748	1.939	73	120.5619	2.827	181	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6,6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,8|H<1>}	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,3|C<4>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|H<1>,4|C<3>}	118.8983	0.314	12	118.9002	0.131	45	119.3054	1.794	64	119.4748	1.939	73	120.5619	2.827	181	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6,6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,8|H<1>}	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H){1|C<3>,4|C<4>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|H<1>,4|C<3>}	118.9663	0.192	11	118.9002	0.131	45	119.3054	1.794	64	119.4748	1.939	73	120.5619	2.827	181	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6,6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,8|H<1>}	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,3|C<4>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|H<1>,4|C<3>}	118.9708	0.696	6	118.9002	0.131	45	119.3054	1.794	64	119.4748	1.939	73	120.5619	2.827	181	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6,6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,8|H<1>}	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H){2|C<3>,3|C<4>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|H<1>,4|C<3>}	118.8015	0.214	6	118.9002	0.131	45	119.3054	1.794	64	119.4748	1.939	73	120.5619	2.827	181	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6,6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|N<4>,2|C<3>,8|H<1>}	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,3|C<4>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,2|H<1>,4|C<3>}	117.9360	0.000	1	118.9002	0.131	45	119.3054	1.794	64	119.4748	1.939	73	120.5619	2.827	181	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6,6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]O)(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,7|H<1>}	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,3|C<4>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|H<1>,4|C<3>}	117.2050	0.000	1	117.2050	0.000	1	119.3054	1.794	64	119.4748	1.939	73	120.5619	2.827	181	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6,6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a](C[6,6a]C[6a]S[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]S[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,2|O<1>,5|H<1>}	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]HH){1|S<4>,4|C<3>,4|H<1>}	120.3420	0.000	1	120.3420	0.000	1	119.3054	1.794	64	119.4748	1.939	73	120.5619	2.827	181	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6,6]	3:3:3:	3:3:1:	4:3:3:	C[5,6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[5,6,6]-4:C[6,6a]-3:C[6]-3:	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(N[6,6]C[5,6,6]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[5,6,6a]N[6,6])(C[6a]C[6a]H)(H)	N[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6,6a]C[5,6,6a]C[6a])(C[6]C[5,6]O)	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(N[6,6]C[5,6,6]C[6])(C[6a]C[6a]H){1|H<1>,1|O<1>,2|C<3>,2|O<2>,4|C<4>}	C[6a](C[6,6a]C[5,6,6a]N[6,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6,6a]C[5,6,6a]C[6a])(C[6]C[5,6]O){1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	126.6910	0.000	1	126.6910	0.000	1	126.6910	0.000	1	122.0756	4.824	7	120.5619	2.827	181	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6,6]	3:3:3:	3:3:1:	4:3:3:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H)	N[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[5,6,6]O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,3|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[5,6,6]O){2|C<3>,2|O<2>,3|C<4>,4|H<1>}	120.6450	0.000	1	120.6450	0.000	1	120.6450	0.000	1	122.0756	4.824	7	120.5619	2.827	181	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6,6]	3:3:3:	3:3:1:	4:3:3:	N[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[3,6,6]-4:C[6,6a]-3:C[6]-3:	C[6,6a](N[6,6]C[3,6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H)	N[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](N[6,6]C[3,6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	120.7590	0.207	3	120.7590	0.043	3	120.7590	0.043	3	122.0756	4.824	7	120.5619	2.827	181	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6,6]	3:3:3:	3:3:1:	4:3:3:	N[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[5,6,6]-4:C[6,6a]-3:C[6]-3:	C[6,6a](N[6,6]C[5,6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H)	N[6,6](C[5,6,6]C[5,6]C[6]N[5])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](N[6,6]C[5,6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6,6](C[5,6,6]C[5,6]C[6]N[5])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|C<3>,4|H<1>}	122.3700	0.000	1	122.3700	0.000	1	122.4580	0.015	2	122.0756	4.824	7	120.5619	2.827	181	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6,6]	3:3:3:	3:3:1:	4:3:3:	N[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[5,6,6]-4:C[6,6a]-3:C[6]-3:	C[6,6a](N[6,6]C[5,6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H)	N[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)	C[6,6a](N[6,6]C[5,6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O){1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	122.5460	0.000	1	122.5460	0.000	1	122.4580	0.015	2	122.0756	4.824	7	120.5619	2.827	181	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6,6]	3:3:3:	3:3:1:	4:3:4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[3x6]-4:C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6,6]C[6a])(N[6,6]C[3x6]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H)	N[6,6](C[3x6]C[6,6a]N[3x6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HN)	C[6,6a](C[6,6a]C[6,6]C[6a])(N[6,6]C[3x6]C[6])(C[6a]C[6a]H){3|C<3>,3|N<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	N[6,6](C[3x6]C[6,6a]N[3x6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HN){1|C<4>,1|H<1>,6|C<3>}	118.6390	0.000	1	118.6390	0.000	1	118.6390	0.000	1	119.8020	2.705	2	120.5619	2.827	181	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6,6]	3:3:3:	3:3:1:	4:3:4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H)	N[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,7|H<1>}	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	N[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|C<4>,3|H<1>,6|C<3>}	120.9650	0.000	1	120.9650	0.000	1	120.9650	0.000	1	119.8020	2.705	2	120.5619	2.827	181	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6,6]	3:3:3:	3:3:2:	3:4:4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:Se-2:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]Se)	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(SeC[6a])	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]Se){1|N<3>,2|C<3>,8|H<1>}	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(SeC[6a]){1|C<3>,4|C<4>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|Se<2>,1|C<4>,4|C<3>}	119.0610	0.407	2	119.0610	0.166	2	119.0610	0.166	2	119.0610	0.166	2	120.5619	2.827	181	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6,6]	3:3:3:	3:3:3:	3:4:4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[5]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]N[5])	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(N[5]C[5]2)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]N[5]){1|N<3>,4|C<3>,8|H<1>}	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(N[5]C[5]2){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|N<3>,4|C<3>}	119.8637	0.721	8	119.8637	0.519	8	119.8637	0.519	8	119.8931	0.280	16	120.5619	2.827	181	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6,6]	3:3:3:	3:3:3:	3:4:4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[5a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]N[5a])	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(N[5a]C[5a]2)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]N[5a]){1|N<3>,4|C<3>,8|H<1>}	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(N[5a]C[5a]2){1|N<2>,2|C<3>,3|C<4>,3|H<1>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|N<3>,4|C<3>}	120.1285	0.156	4	120.1285	0.024	4	120.1285	0.024	4	119.8931	0.280	16	120.5619	2.827	181	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6,6]	3:3:3:	3:3:3:	3:4:4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:S-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]S)	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(SC[6a]O)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]S){1|N<3>,2|C<3>,8|H<1>}	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(SC[6a]O){1|C<3>,4|C<4>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|S<3>,4|C<3>}	119.7163	0.214	4	119.7163	0.046	4	119.7163	0.046	4	119.8931	0.280	16	120.5619	2.827	181	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6,6]	3:3:3:	3:3:4:	3:5:3:	N[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:Nb[6,6]-5:C[6]-3:	C[6,6a](N[6,6]Nb[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]C)	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(CCCH)	N[6,6](C[6,6a]C[6,6a]C[6a])(Nb[6,6]C[6]N[6]NO)(C[6]C[6]C)	C[6,6a](N[6,6]Nb[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]C){1|N<2>,1|N<3>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(CCCH){1|Nb<5>,1|C<4>,1|H<1>,2|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(Nb[6,6]C[6]N[6]NO)(C[6]C[6]C){2|C<4>,3|H<1>,4|C<3>}	120.7565	1.336	2	120.7565	1.784	2	120.7565	1.784	2	120.7565	1.784	2	120.5619	2.827	181	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:2:1:	3:3:1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6a]-2:H-1:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]N[6a]S[6])(N[6]C[6,6a]H)(C[6a]N[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(N[6a]C[6a])(H)	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]N[6a]S[6])(N[6]C[6,6a]H)(C[6a]N[6a]H){3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|S<2>}	N[6](C[6,6a]C[6,6a]C[6a])2(H){1|S<2>,2|C<3>,2|H<1>,2|N<2>}	120.5280	0.000	1	120.5280	0.000	1	120.5280	0.000	1	120.5280	0.000	1	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:2:1:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6a]-2:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]N[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(N[6a]C[6a])(H)	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]N[6a]H){1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(N[6a]C[6a])(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){1|N<2>,1|S<2>,2|H<1>,3|C<3>}	121.8520	0.000	1	121.8520	0.000	1	121.8520	0.000	1	121.8520	0.000	1	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:2:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:O[6a]-2:O-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[5,6])(C[6a]O[6a]O)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(O[6a]C[6a,6a])(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[5,6])(C[6a]O[6a]O)(N[6]C[6]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(O[6a]C[6a,6a])(O){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	113.5540	0.000	1	113.5540	0.000	1	113.5770	0.001	2	113.5770	0.001	2	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:2:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:O[6a]-2:O-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[6,6])(C[6a]O[6a]O)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(O[6a]C[6a,6a])(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6,6])(C[6a]O[6a]O)(N[6]C[6]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(O[6a]C[6a,6a])(O){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	113.6000	0.000	1	113.6000	0.000	1	113.5770	0.001	2	113.5770	0.001	2	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:2:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-2:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<2>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6])(H){2|H<1>,3|C<3>}	119.4720	0.000	1	119.4720	0.000	1	119.4720	0.000	1	119.7523	0.667	8	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:2:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-2:O-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]N[6]O)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a])(O)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]N[6]O){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a])(O){1|H<1>,1|N<2>,3|C<3>}	118.9315	0.012	2	119.0073	0.017	3	119.7088	0.858	6	119.7523	0.667	8	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:2:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-2:O-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]N[6]O)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a])(O)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]N[6]O){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a])(O){1|H<1>,4|C<3>}	119.1590	0.000	1	119.0073	0.017	3	119.7088	0.858	6	119.7523	0.667	8	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:2:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-2:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]N[6]O)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]N[6]O){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	N[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	119.9450	0.033	2	120.4103	0.650	3	119.7088	0.858	6	119.7523	0.667	8	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:2:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-2:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]N[6]O)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]N[6]O){1|H<1>,1|O<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|O<1>,2|N<2>}	N[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	121.3410	0.000	1	120.4103	0.650	3	119.7088	0.858	6	119.7523	0.667	8	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:2:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:O[6]-2:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]O[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]O[6]H){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(H){1|H<1>,2|C<3>,3|C<4>}	120.2930	0.000	1	120.2930	0.000	1	120.2930	0.000	1	119.7523	0.667	8	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:2:4:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-2:C-4:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6])(CCCH)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a]H)(H){1|C<2>,1|C<4>,1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6])(CCCH){1|C<4>,1|H<1>,3|C<3>}	123.7252	0.409	5	123.7615	0.142	6	123.7696	0.118	7	123.1657	1.748	10	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:2:4:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-2:C-4:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6])(CCCH)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a]H)(H){1|C<2>,1|C<4>,1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6])(CCCH){1|H<1>,4|C<3>}	123.9430	0.000	1	123.7615	0.142	6	123.7696	0.118	7	123.1657	1.748	10	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:2:4:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-2:C-4:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6])(CCHH)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a]H)(H){1|C<2>,1|C<4>,1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6])(CCHH){1|C<4>,1|H<1>,3|C<3>}	123.8180	0.000	1	123.8180	0.000	1	123.7696	0.118	7	123.1657	1.748	10	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:2:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:N[6]-2:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(N[6]N[6]C)	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]N[6])(H)	N[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(CCHH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(N[6]N[6]C){1|H<1>,2|C<3>,2|O<2>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]N[6])(H){1|N<2>,1|O<2>,2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(CCHH){1|H<1>,4|C<3>}	120.7445	0.606	2	120.7445	0.367	2	120.7445	0.367	2	123.1657	1.748	10	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:2:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-2:S-4:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6])(SC[6a]OO)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|C<4>,1|H<1>,1|S<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6])(SC[6a]OO){1|H<1>,2|C<4>,3|C<3>}	123.7810	0.000	1	123.7810	0.000	1	123.7810	0.000	1	123.1657	1.748	10	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[5,6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	C[6a](C[6,6a]C[5,6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(N[6]C[6,6a]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6,6a]C[5,6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(H){1|C<4>,2|H<1>,4|C<3>}	126.0265	0.218	2	126.0265	0.048	2	126.0265	0.048	2	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6,6a]C[6a])(C[6]N[6]N)(H)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,2|H<1>,4|N<3>}	C[6a](C[6,6a]C[6,6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6,6a]C[6a])(C[6]N[6]N)(H){1|C<4>,2|C<3>,2|H<1>}	122.3955	0.019	2	122.3955	0.000	2	121.1240	4.850	3	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6,6a]N[6])(C[6a]C[6a]O)(H)	N[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]O)(H)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|O<1>,1|O<2>,4|C<4>}	C[6a](C[6,6a]C[6,6,6a]N[6])(C[6a]C[6a]O)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]O)(H){1|C<4>,2|C<3>,3|H<1>}	118.5810	0.000	1	118.5810	0.000	1	121.1240	4.850	3	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:B[6]-3:H-1:	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(N[6]B[6]H)	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a,6a]H)(H)	N[6](C[6,6a]C[6,6a,6a]C[6a])(B[6]N[6]H)(H)	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(N[6]B[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a,6a]H)(H){1|B<3>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(B[6]N[6]H)(H){2|H<1>,3|C<3>}	122.1625	0.103	2	122.1625	0.011	2	122.1625	0.011	2	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-3:H-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[5,6]H)	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5,6a]N[5,6])(H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[5,6]H){1|H<1>,1|N<3>,4|C<3>}	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5,6a]N[5,6])(H){1|B<4>,1|H<1>,5|C<3>}	122.0900	0.000	1	122.0900	0.000	1	122.0900	0.000	1	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[5]N[6])(H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]H){1|H<1>,1|N<3>,4|C<3>}	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[5]N[6])(H){1|C<4>,2|H<1>,4|C<3>}	121.9035	0.185	2	121.9035	0.034	2	121.9532	0.080	4	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]S)(H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]H){1|H<1>,1|N<3>,1|S<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]S)(H){2|H<1>,3|C<3>}	122.0030	0.444	2	122.0030	0.197	2	121.9532	0.080	4	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(N[6]C[6,6]H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]N[6])(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(N[6]C[6,6]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]N[6])(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H){2|C<4>,3|C<3>,3|H<1>}	118.0560	0.556	3	118.0560	0.309	3	118.0560	0.309	3	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Cl)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(Cl)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Cl)(N[6]C[6]H){1|Cl<1>,1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	120.9730	0.000	1	120.9730	0.000	1	120.9730	0.000	1	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[5,6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[5,6]C[5,6a]C[5,6])(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[5,6]H){2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[5,6]C[5,6a]C[5,6])(C[6,6a]C[6,6a]C[6a])(H){1|C<4>,1|H<1>,5|C<3>}	118.2490	0.000	1	118.2490	0.000	1	118.2490	0.000	1	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)(H)	N[6](C[6,6]C[5a,6,6]C[5a,6])(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]H){2|O<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	N[6](C[6,6]C[5a,6,6]C[5a,6])(C[6,6a]C[6,6a]C[6a])(H){1|H<1>,2|N<3>,4|C<3>}	117.5910	0.000	1	117.5910	0.000	1	117.5910	0.000	1	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a,6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a,6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	117.2800	0.000	1	117.4030	0.030	2	118.6866	1.490	5	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a,6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a,6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(H){2|C<4>,3|C<3>,3|H<1>}	117.5260	0.000	1	117.4030	0.030	2	118.6866	1.490	5	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	119.0570	0.000	1	119.0570	0.000	1	118.6866	1.490	5	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5])(H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	119.9890	0.000	1	119.7850	0.083	2	118.6866	1.490	5	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5])(H){2|C<3>,3|C<4>,3|H<1>}	119.5810	0.000	1	119.7850	0.083	2	118.6866	1.490	5	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]C[6])(H)	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]H){2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]C[6])(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	119.5700	0.000	1	119.5700	0.000	1	119.3011	1.140	28	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[5a,6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H)	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[5a,6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H){2|C<4>,3|C<3>,3|H<1>}	118.3670	0.197	2	118.3377	0.018	4	119.3011	1.140	28	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[5a,6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H)	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[5a,6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H){2|C<4>,3|C<3>,3|H<1>}	118.3830	0.000	1	118.3377	0.018	4	119.3011	1.140	28	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[5a,6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H)	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[5a,6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H){2|C<4>,3|C<3>,3|H<1>}	118.2340	0.000	1	118.3377	0.018	4	119.3011	1.140	28	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a,6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a,6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H){2|C<4>,3|C<3>,3|H<1>}	118.8960	0.000	1	118.8960	0.000	1	119.3011	1.140	28	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6a](C[6,6a]C[6a]B[6])(C[6a]C[6a]H)(N[6]C[6,6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6])(H)	C[6,6a](C[6,6a]C[6a]B[6])(C[6a]C[6a]H)(N[6]C[6,6]H){1|F<1>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|B<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6])(H){1|B<4>,2|H<1>,4|C<3>}	118.3340	0.000	1	119.0283	1.805	3	119.3011	1.140	28	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6a](C[6,6a]C[6a]B[6])(C[6a]C[6a]H)(N[6]C[6,6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6])(H)	C[6,6a](C[6,6a]C[6a]B[6])(C[6a]C[6a]H)(N[6]C[6,6]H){1|N<3>,2|C<3>,2|H<1>,2|O<2>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|B<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6])(H){1|Br<1>,1|B<4>,1|H<1>,4|C<3>}	118.1740	0.000	1	119.0283	1.805	3	119.3011	1.140	28	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6a](C[6,6a]C[6a]B[6])(C[6a]C[6a]H)(N[6]C[6,6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6])(H)	C[6,6a](C[6,6a]C[6a]B[6])(C[6a]C[6a]H)(N[6]C[6,6]H){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|B<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6])(H){1|B<4>,2|H<1>,4|C<3>}	120.5770	0.000	1	119.0283	1.805	3	119.3011	1.140	28	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H){2|C<4>,3|C<3>,3|H<1>}	118.7620	0.000	1	119.4108	0.516	5	119.3011	1.140	28	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]H){3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	119.9307	0.041	3	119.4108	0.516	5	119.3011	1.140	28	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]H){3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H){1|C<4>,2|H<1>,4|C<3>}	118.5000	0.000	1	119.4108	0.516	5	119.3011	1.140	28	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]H){1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6])(H){1|B<4>,1|C<4>,1|H<1>,3|C<3>}	120.2190	0.000	1	120.2190	0.000	1	119.3011	1.140	28	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6])(H){2|C<3>,3|C<4>,3|H<1>}	119.9235	0.551	2	120.2973	1.247	4	119.3011	1.140	28	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6])(H){1|H<1>,2|C<4>,4|C<3>}	120.6710	1.697	2	120.2973	1.247	4	119.3011	1.140	28	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6]H){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H){1|C<2>,1|N<2>,2|H<1>,3|C<3>}	122.2630	0.000	1	122.2630	0.000	1	119.3011	1.140	28	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6a](C[6,6a]C[6a]P[6])(C[6a]C[6a]H)(N[6]C[6,6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]P[6])(H)	C[6,6a](C[6,6a]C[6a]P[6])(C[6a]C[6a]H)(N[6]C[6,6]H){1|P<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|P<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]P[6])(H){1|H<1>,1|N<3>,1|P<4>,5|C<3>}	119.1370	0.986	2	119.1370	0.972	2	119.3011	1.140	28	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6,6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6,6]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|S<2>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2)(H){1|C<4>,1|S<2>,2|H<1>,4|C<3>}	119.2180	0.000	1	119.2180	0.000	1	119.3011	1.140	28	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6,6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6,6]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|S<2>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H){1|C<4>,1|S<2>,2|H<1>,4|C<3>}	118.7825	0.201	4	118.6624	0.102	5	119.3011	1.140	28	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6,6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6,6]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|S<2>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H){1|C<4>,1|S<2>,3|C<3>,3|H<1>}	118.1820	0.000	1	118.6624	0.102	5	119.3011	1.140	28	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]B[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(H)	C[6,6a](C[6,6a]B[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>,2|O<2>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|B<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(H){1|B<4>,2|C<3>,2|H<1>}	117.9530	0.000	1	117.9530	0.000	1	119.9520	1.075	378	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]B[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6a]H)(H)	C[6,6a](C[6,6a]B[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|N<3>,2|O<2>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|B<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6a]H)(H){1|B<4>,1|H<1>,3|C<3>}	117.9360	0.000	1	117.9360	0.000	1	119.9520	1.075	378	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]B[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(H)	C[6,6a](C[6,6a]B[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>,2|O<2>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|B<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(H){1|B<4>,2|C<3>,2|H<1>}	118.0840	0.023	2	118.0840	0.001	2	119.9520	1.075	378	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]O)(H)	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]O)(H){2|C<3>,2|C<4>,2|H<1>}	118.6670	0.000	1	118.8395	0.060	2	119.9520	1.075	378	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]O)(H)	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|I<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]O)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	119.0120	0.000	1	118.8395	0.060	2	119.9520	1.075	378	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(H)	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(H){1|C<4>,1|H<1>,2|C<3>}	121.0740	0.000	1	121.0740	0.000	1	119.9520	1.075	378	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,5,6]O)(H)	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,5,6]O)(H){1|H<1>,2|C<3>,3|C<4>}	118.9458	0.299	5	118.9458	0.090	5	119.9520	1.075	378	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(H)	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(H){1|H<1>,2|C<4>,3|C<3>}	117.4570	0.543	2	118.2355	0.816	8	119.9520	1.075	378	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(H)	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(H){2|C<3>,2|C<4>,2|H<1>}	118.6848	1.054	4	118.2355	0.816	8	119.9520	1.075	378	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(H)	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(H){2|C<3>,2|C<4>,2|H<1>}	118.1155	0.182	2	118.2355	0.816	8	119.9520	1.075	378	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(H){1|H<1>,2|C<4>,3|C<3>}	119.6040	0.000	1	119.3798	0.173	11	119.9520	1.075	378	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|N<2>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(H){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	119.1130	0.195	2	119.3798	0.173	11	119.9520	1.075	378	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(H){1|H<1>,2|C<3>,3|C<4>}	119.5535	0.820	2	119.3798	0.173	11	119.9520	1.075	378	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(H){1|H<1>,2|C<4>,3|C<3>}	119.4194	0.419	5	119.3798	0.173	11	119.9520	1.075	378	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|Fe<10>,1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(H){1|Fe<10>,1|H<1>,2|C<3>,2|C<4>}	119.1440	0.000	1	119.3798	0.173	11	119.9520	1.075	378	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]C)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|N<3>,1|S<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]C)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	120.5900	0.000	1	120.5900	0.000	1	119.9520	1.075	378	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]O)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]O)(H){1|H<1>,2|C<3>,2|C<4>}	120.1940	0.000	1	120.0040	0.072	2	119.9520	1.075	378	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]O)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]O)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	119.8140	0.000	1	120.0040	0.072	2	119.9520	1.075	378	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C)(H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C)(H){1|H<1>,1|N<3>,3|C<3>}	120.1370	0.000	1	120.1370	0.000	1	119.9520	1.075	378	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]N)(H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]N)(H){1|H<1>,4|C<3>}	120.3630	0.000	1	119.3033	0.574	6	119.9520	1.075	378	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]N)(H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]N)(H){1|H<1>,4|C<3>}	118.9173	0.499	3	119.3033	0.574	6	119.9520	1.075	378	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]N)(H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]N)(H){1|H<1>,4|C<3>}	119.3525	0.893	2	119.3033	0.574	6	119.9520	1.075	378	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]O)(H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|N<2>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]O)(H){1|H<1>,4|C<3>}	120.6040	0.000	1	120.6040	0.000	1	119.9520	1.075	378	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[5a,6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[5a,6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	119.5060	0.000	1	119.5060	0.000	1	119.9520	1.075	378	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)(H){1|H<1>,2|C<3>,3|C<4>}	119.6810	0.280	3	119.6810	0.078	3	119.9520	1.075	378	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(H){1|C<4>,1|H<1>,2|C<3>}	120.3820	0.526	2	120.3820	0.277	2	119.9520	1.075	378	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C)(H){1|H<1>,4|C<3>}	118.1170	0.000	1	118.1170	0.000	1	119.9520	1.075	378	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]H)(H){1|H<1>,4|C<3>}	118.8120	0.626	4	118.8120	0.392	4	119.9520	1.075	378	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6a]O)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|N<2>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6a]O)(H){1|H<1>,4|C<3>}	120.0610	0.799	2	120.0610	0.638	2	119.9520	1.075	378	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a])(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|H<1>,1|N<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(H){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a])(H){1|H<1>,6|C<3>}	119.9100	0.000	1	119.9100	0.000	1	119.9520	1.075	378	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]H)(N[6]C[6]H){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	119.7350	0.000	1	119.7350	0.000	1	119.9520	1.075	378	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a,6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<2>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a,6a]H)(H){1|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	118.8930	0.389	3	119.0132	0.159	4	119.9520	1.075	378	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a,6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a,6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	119.3740	0.000	1	119.0132	0.159	4	119.9520	1.075	378	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a,6a]O)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a,6a]O)(H){1|H<1>,1|O<2>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	120.4725	0.241	2	120.4725	0.058	2	119.9520	1.075	378	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]B[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]S)(H)	C[6,6a](C[6,6a]C[6a]B[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|N<3>,1|O<2>,1|S<1>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|B<3>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]S)(H){1|B<3>,1|H<1>,3|C<3>}	118.8730	0.454	2	118.8730	0.206	2	119.9520	1.075	378	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]B[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]N)(H)	C[6,6a](C[6,6a]C[6a]B[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|N<3>,1|O<2>,2|F<1>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|B<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]N)(H){1|B<4>,1|H<1>,2|C<3>}	117.9660	0.000	1	117.9660	0.000	1	119.9520	1.075	378	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	120.7420	0.000	1	120.7420	0.000	1	119.9520	1.075	378	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Cl)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|Cl<1>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Cl)(H){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	119.2470	0.211	2	118.8542	0.117	9	119.9520	1.075	378	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Cl)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Cl)(H){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	118.7420	0.287	7	118.8542	0.117	9	119.9520	1.075	378	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Cl)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]S)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,1|S<1>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Cl)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]S)(H){1|C<4>,1|H<1>,3|C<3>}	120.6120	0.000	1	120.6120	0.000	1	119.9520	1.075	378	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<2>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){2|H<1>,3|C<3>}	119.6505	0.098	2	120.3267	0.893	44	119.9520	1.075	378	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){2|H<1>,3|C<3>}	119.6447	0.438	3	120.3267	0.893	44	119.9520	1.075	378	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){2|H<1>,3|C<3>}	120.2020	0.000	1	120.3267	0.893	44	119.9520	1.075	378	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){2|H<1>,3|C<3>}	120.4175	0.600	2	120.3267	0.893	44	119.9520	1.075	378	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,4|C<3>}	119.6795	0.094	2	120.3267	0.893	44	119.9520	1.075	378	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,4|C<3>}	119.5370	0.000	1	120.3267	0.893	44	119.9520	1.075	378	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,4|C<3>}	117.7060	0.000	1	120.3267	0.893	44	119.9520	1.075	378	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){2|H<1>,3|C<3>}	119.6355	0.008	2	120.3267	0.893	44	119.9520	1.075	378	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){2|H<1>,3|C<3>}	119.8585	0.262	2	120.3267	0.893	44	119.9520	1.075	378	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,4|C<3>}	119.2760	0.000	1	120.3267	0.893	44	119.9520	1.075	378	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,4|C<3>}	120.3690	0.000	1	120.3267	0.893	44	119.9520	1.075	378	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){2|H<1>,3|C<3>}	120.7642	0.882	26	120.3267	0.893	44	119.9520	1.075	378	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	119.3310	0.560	6	120.0304	0.947	69	119.9520	1.075	378	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	119.3882	1.777	6	120.0304	0.947	69	119.9520	1.075	378	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	119.9960	0.346	3	120.0304	0.947	69	119.9520	1.075	378	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	118.9683	0.149	3	120.0304	0.947	69	119.9520	1.075	378	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	121.0030	0.011	2	120.0304	0.947	69	119.9520	1.075	378	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|S<2>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|S<2>,3|C<3>}	120.1850	0.064	2	120.0304	0.947	69	119.9520	1.075	378	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	120.5520	0.000	1	120.0304	0.947	69	119.9520	1.075	378	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	121.3910	0.000	1	120.0304	0.947	69	119.9520	1.075	378	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	120.6975	0.555	29	120.0304	0.947	69	119.9520	1.075	378	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	119.2716	0.461	16	120.0304	0.947	69	119.9520	1.075	378	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(H){1|H<1>,4|C<3>}	119.3310	0.000	1	119.5790	0.390	5	119.9520	1.075	378	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,1|S<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(H){1|H<1>,4|C<3>}	119.0325	0.016	2	119.5790	0.390	5	119.9520	1.075	378	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(H){2|H<1>,3|C<3>}	120.2495	0.035	2	119.5790	0.390	5	119.9520	1.075	378	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H){1|C<4>,2|C<3>,3|H<1>}	120.0730	0.000	1	119.7790	0.604	3	119.9520	1.075	378	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|I<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H){1|C<4>,2|C<3>,3|H<1>}	118.8980	0.000	1	119.7790	0.604	3	119.9520	1.075	378	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H){1|H<1>,4|C<3>}	120.3660	0.000	1	119.7790	0.604	3	119.9520	1.075	378	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|S<1>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(H){2|H<1>,3|C<3>}	120.3406	0.136	7	120.0877	0.260	10	119.9520	1.075	378	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|S<1>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(H){2|H<1>,3|C<3>}	119.8480	0.013	2	120.0877	0.260	10	119.9520	1.075	378	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|S<2>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(H){1|H<1>,4|C<3>}	118.7970	0.000	1	120.0877	0.260	10	119.9520	1.075	378	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(H){1|C<4>,1|H<1>,5|C<3>}	120.5220	0.000	1	120.8613	0.100	3	119.9520	1.075	378	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(H){1|N<2>,2|H<1>,4|C<3>}	121.0310	0.165	2	120.8613	0.100	3	119.9520	1.075	378	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(H){1|H<1>,1|N<3>,3|C<3>}	120.5330	0.000	1	120.3400	0.074	2	119.9520	1.075	378	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(H){1|H<1>,2|C<3>,2|C<4>}	120.1470	0.000	1	120.3400	0.074	2	119.9520	1.075	378	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	118.3250	0.000	1	120.1643	1.671	6	119.9520	1.075	378	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|Ni<6>,1|H<1>,3|C<3>}	122.0580	0.000	1	120.1643	1.671	6	119.9520	1.075	378	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){2|H<1>,3|C<3>}	120.7520	0.000	1	120.1643	1.671	6	119.9520	1.075	378	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|N<3>,1|O<2>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|C<4>,2|C<3>,2|H<1>}	119.9670	0.000	1	120.1643	1.671	6	119.9520	1.075	378	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|N<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|C<4>,2|C<3>,2|H<1>}	119.2710	0.000	1	120.1643	1.671	6	119.9520	1.075	378	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,2|N<2>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|H<1>,3|C<3>}	120.6130	0.000	1	120.1643	1.671	6	119.9520	1.075	378	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]N)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|N<2>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]N)(H){1|C<4>,1|H<1>,3|C<3>}	121.0650	0.000	1	120.7910	0.150	2	119.9520	1.075	378	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]N)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|N<2>,2|H<1>,2|N<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]N)(H){1|H<1>,3|C<3>}	120.5170	0.000	1	120.7910	0.150	2	119.9520	1.075	378	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H){1|C<4>,1|H<1>,3|C<3>}	121.3495	0.056	2	120.3872	0.691	12	119.9520	1.075	378	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|N<3>,1|O<1>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H){1|C<4>,1|H<1>,3|C<3>}	120.9400	0.133	2	120.3872	0.691	12	119.9520	1.075	378	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|N<3>,1|O<1>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H){1|C<4>,1|H<1>,3|C<3>}	120.4830	0.000	1	120.3872	0.691	12	119.9520	1.075	378	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H){1|C<4>,1|H<1>,3|C<3>}	120.6900	0.017	2	120.3872	0.691	12	119.9520	1.075	378	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H){1|H<1>,4|C<3>}	119.1393	0.208	3	120.3872	0.691	12	119.9520	1.075	378	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H){1|C<4>,2|C<3>,2|H<1>}	120.6810	0.000	1	120.3872	0.691	12	119.9520	1.075	378	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H){1|H<1>,2|C<3>,2|C<4>}	120.1060	0.000	1	120.3872	0.691	12	119.9520	1.075	378	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]S)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,1|S<1>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]S)(H){1|C<4>,1|H<1>,3|C<3>}	120.7060	0.071	2	120.8707	0.252	9	119.9520	1.075	378	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]S)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|N<3>,1|O<1>,1|S<1>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]S)(H){1|C<4>,1|H<1>,3|C<3>}	121.9530	0.000	1	120.8707	0.252	9	119.9520	1.075	378	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]S)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|N<3>,1|O<1>,1|S<1>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]S)(H){1|H<1>,4|C<3>}	121.1670	0.000	1	120.8707	0.252	9	119.9520	1.075	378	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]S)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|N<3>,1|O<1>,1|S<1>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]S)(H){1|C<4>,1|H<1>,3|C<3>}	120.8775	0.390	2	120.8707	0.252	9	119.9520	1.075	378	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]S)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|N<3>,1|O<1>,1|S<1>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]S)(H){1|C<4>,1|H<1>,3|C<3>}	120.6710	0.161	2	120.8707	0.252	9	119.9520	1.075	378	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]S)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|N<3>,1|O<1>,1|S<1>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]S)(H){1|H<1>,4|C<3>}	120.2070	0.000	1	120.8707	0.252	9	119.9520	1.075	378	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<2>,1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(H){1|C<4>,1|H<1>,2|C<3>}	120.5800	0.501	2	120.6785	0.296	4	119.9520	1.075	378	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(H){1|C<4>,1|H<1>,2|C<3>}	120.2300	0.000	1	120.6785	0.296	4	119.9520	1.075	378	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(H){1|C<4>,1|H<1>,2|C<3>}	121.3240	0.000	1	120.6785	0.296	4	119.9520	1.075	378	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(H){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){2|H<1>,3|C<3>}	119.7100	0.000	1	119.4930	0.108	7	119.9520	1.075	378	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(H){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){2|H<1>,3|C<3>}	119.4568	0.344	6	119.4930	0.108	7	119.9520	1.075	378	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<4>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H){1|C<4>,2|C<3>,3|H<1>}	118.8420	0.000	1	118.8420	0.000	1	119.9520	1.075	378	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]S)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|H<1>,2|N<3>,2|S<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(H){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]S)(H){1|H<1>,4|C<3>}	117.9330	0.000	1	118.7850	1.452	2	119.9520	1.075	378	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]S)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|H<1>,2|N<3>,2|S<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(H){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]S)(H){2|H<1>,3|C<3>}	119.6370	0.000	1	118.7850	1.452	2	119.9520	1.075	378	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]S)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|H<1>,1|N<3>,1|S<2>,2|S<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(H){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]S)(H){1|H<1>,3|C<3>}	116.3980	0.000	1	116.3980	0.000	1	119.9520	1.075	378	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H){1|C<4>,2|C<3>,3|H<1>}	119.4522	0.442	13	119.3843	0.200	15	119.9520	1.075	378	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)(H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H){1|C<4>,2|C<3>,3|H<1>}	118.9430	0.033	2	119.3843	0.200	15	119.9520	1.075	378	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|O<2>,1|S<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(H){1|H<1>,4|C<3>}	120.0330	0.000	1	120.0330	0.000	1	119.9520	1.075	378	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|N<2>,1|N<3>,1|O<2>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|H<1>,3|C<3>}	119.5513	0.500	9	119.5588	0.223	10	119.9520	1.075	378	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|O<2>,2|H<1>,2|N<2>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|H<1>,3|C<3>}	119.6260	0.000	1	119.5588	0.223	10	119.9520	1.075	378	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]H)(H){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(H){1|N<2>,2|H<1>,4|C<3>}	121.0250	0.000	1	121.0250	0.000	1	119.9520	1.075	378	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Cl)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H){1|Cl<1>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Cl)(H){1|N<3>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H){1|N<3>,2|H<1>,3|C<3>}	119.6635	0.136	2	119.6635	0.019	2	119.9520	1.075	378	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6])(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6])(H){1|H<1>,1|N<2>,1|S<2>,4|C<3>}	121.6120	0.105	2	121.6120	0.011	2	119.9520	1.075	378	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(H){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	121.3840	0.000	1	121.3840	0.000	1	119.9520	1.075	378	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	121.6073	0.065	3	121.1198	0.340	15	119.9520	1.075	378	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	120.1890	0.000	1	121.1198	0.340	15	119.9520	1.075	378	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	120.5058	0.289	4	121.1198	0.340	15	119.9520	1.075	378	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,1|N<2>,3|C<3>}	121.3880	0.345	3	121.1198	0.340	15	119.9520	1.075	378	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|N<2>,2|C<3>,2|H<1>}	121.2070	0.461	2	121.1198	0.340	15	119.9520	1.075	378	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H){3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	121.2190	0.000	1	121.1198	0.340	15	119.9520	1.075	378	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H){3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,1|N<3>,3|C<3>}	121.9660	0.000	1	121.1198	0.340	15	119.9520	1.075	378	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H){2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,3|C<3>}	121.1760	0.000	1	121.2070	0.002	2	119.9520	1.075	378	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H){2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<2>,2|C<3>,2|H<1>}	121.2380	0.000	1	121.2070	0.002	2	119.9520	1.075	378	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<2>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	121.6970	0.000	1	121.6970	0.000	1	119.9520	1.075	378	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H){1|N<3>,2|H<1>,3|C<3>}	121.2230	0.000	1	120.6444	0.547	10	119.9520	1.075	378	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.2400	0.000	1	120.6444	0.547	10	119.9520	1.075	378	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	119.9510	0.000	1	120.6444	0.547	10	119.9520	1.075	378	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H){1|N<3>,2|H<1>,3|C<3>}	119.9820	0.134	2	120.6444	0.547	10	119.9520	1.075	378	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H){1|N<3>,2|C<3>,3|H<1>}	120.2405	0.127	2	120.6444	0.547	10	119.9520	1.075	378	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H){1|Li<5>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H){1|H<1>,1|N<3>,3|C<3>}	121.5540	0.601	2	120.6444	0.547	10	119.9520	1.075	378	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H){1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H){1|H<1>,1|N<3>,3|C<3>}	121.4770	0.000	1	120.6444	0.547	10	119.9520	1.075	378	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H){1|S<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	121.2015	0.746	2	121.2015	0.557	2	119.9520	1.075	378	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(H){1|H<1>,1|N<2>,5|C<3>}	121.1070	0.000	1	121.1070	0.000	1	119.9520	1.075	378	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)(H){1|O<2>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	122.2600	0.000	1	122.2600	0.000	1	119.9520	1.075	378	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Cl)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]H){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Cl)(H){1|O<2>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H){1|O<2>,2|C<3>,3|H<1>}	121.1880	0.000	1	121.1880	0.000	1	119.9520	1.075	378	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]H){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	122.9410	0.000	1	122.9410	0.000	1	119.9520	1.075	378	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)(H){1|S<3>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(H){1|H<1>,1|S<3>,4|C<3>}	119.7150	0.000	1	120.2080	1.862	5	119.9520	1.075	378	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)(H){1|S<2>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(H){1|H<1>,1|S<2>,4|C<3>}	120.3312	1.543	4	120.2080	1.862	5	119.9520	1.075	378	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Cl)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<2>,2|O<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Cl)(H){1|H<1>,2|C<3>,2|S<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(H){1|H<1>,1|S<4>,2|C<3>}	119.6490	0.597	2	119.6490	0.356	2	119.9520	1.075	378	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Cl)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H){1|Cl<1>,1|C<3>,1|N<2>,2|H<1>,2|O<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Cl)(H){1|H<1>,2|C<3>,2|S<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|H<1>,1|S<4>,2|C<3>}	119.2073	1.065	6	119.2073	1.135	6	119.9520	1.075	378	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]N[6])(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|S<3>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]N[6])(H){1|H<1>,1|S<2>,1|S<3>,3|C<3>}	119.9560	0.000	1	119.9560	0.000	1	119.9520	1.075	378	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|S<3>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,1|S<3>,3|C<3>}	119.5370	0.505	2	119.1367	0.455	10	119.9520	1.075	378	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|S<2>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	119.0902	0.816	6	119.1367	0.455	10	119.9520	1.075	378	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|S<2>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,1|S<2>,3|C<3>}	118.7320	0.000	1	119.1367	0.455	10	119.9520	1.075	378	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|S<2>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|S<2>,2|C<3>,3|H<1>}	119.0200	0.000	1	119.1367	0.455	10	119.9520	1.075	378	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|S<2>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(H){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	118.9520	0.000	1	118.9520	0.000	1	119.9520	1.075	378	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6])(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|S<2>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6])(H){1|Co<6>,1|H<1>,1|N<3>,1|S<2>,3|C<3>}	119.7305	0.564	4	119.7305	0.318	4	119.9520	1.075	378	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|S<2>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	119.3730	0.006	2	119.1355	0.079	4	119.9520	1.075	378	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|S<2>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H){1|H<1>,1|S<2>,2|C<3>,2|F<1>}	118.9740	0.000	1	119.1355	0.079	4	119.9520	1.075	378	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|S<2>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H){1|S<2>,2|H<1>,3|C<3>}	118.8220	0.000	1	119.1355	0.079	4	119.9520	1.075	378	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|S<3>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(H){1|H<1>,1|S<3>,4|C<3>}	120.5560	0.000	1	120.6275	0.525	11	119.9520	1.075	378	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|S<2>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(H){1|H<1>,1|N<2>,1|S<2>,3|C<3>}	120.5830	0.557	6	120.6275	0.525	11	119.9520	1.075	378	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|S<2>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(H){1|H<1>,1|S<2>,4|C<3>}	120.7122	1.104	4	120.6275	0.525	11	119.9520	1.075	378	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]N)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>,2|O<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|I<1>,1|S<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]N)(H){1|H<1>,1|S<4>,2|C<3>}	121.1970	0.000	1	120.6910	0.517	4	119.9520	1.075	378	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]N)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,2|H<1>,2|N<2>,2|O<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|S<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]N)(H){1|H<1>,1|S<4>,2|C<3>}	120.5223	0.777	3	120.6910	0.517	4	119.9520	1.075	378	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|N<2>,1|O<2>,2|H<1>,2|O<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|S<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H){1|H<1>,1|S<4>,2|C<3>}	120.1760	0.000	1	120.3340	0.050	2	119.9520	1.075	378	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|N<2>,1|O<2>,2|H<1>,2|O<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|S<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H){1|H<1>,1|S<4>,2|C<3>}	120.4920	0.000	1	120.3340	0.050	2	119.9520	1.075	378	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]S)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|N<2>,1|S<2>,2|H<1>,2|O<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|S<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]S)(H){1|H<1>,1|S<4>,2|C<3>}	120.1870	0.000	1	120.1870	0.000	1	119.9520	1.075	378	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]O)(H)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]O)(H){1|H<1>,1|N<3>,3|C<3>}	119.6005	0.040	2	119.6005	0.002	2	119.9520	1.075	378	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]N)(H)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|H<1>,1|N<2>,1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)(H){1|N<3>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]N)(H){1|H<1>,1|N<3>,3|C<3>}	120.9450	0.000	1	120.9450	0.000	1	119.9520	1.075	378	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]N[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Br)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(H)	C[6,6a](C[6,6a]N[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|Br<1>,1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Br)(H){1|H<1>,1|N<3>,1|N<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(H){1|H<1>,1|N<3>,3|C<3>}	118.4350	0.000	1	118.4350	0.000	1	119.9520	1.075	378	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]O)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]H)(O)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]O){3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]H)(O){1|H<1>,1|N<3>,3|C<3>}	118.4790	0.000	1	118.4790	0.000	1	119.7165	0.725	47	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]O)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Cl)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]O){1|Cl<1>,1|S<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Cl)(H){1|H<1>,1|O<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){2|H<1>,3|C<3>}	118.0120	0.000	1	118.0120	0.000	1	119.7165	0.725	47	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]O)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3x6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]O){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3x6]C[6])(O){2|H<1>,3|C<3>,3|C<4>}	118.8880	0.000	1	118.8880	0.000	1	119.7165	0.725	47	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]O)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]O){3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6])(O){1|N<2>,1|O<2>,2|H<1>,3|C<3>}	118.8355	0.276	2	118.8355	0.076	2	119.7165	0.725	47	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]O)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]O){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){2|H<1>,3|C<3>}	119.0210	0.000	1	119.4260	0.328	2	119.7165	0.725	47	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]O)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]O){3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){2|H<1>,3|C<3>}	119.8310	0.000	1	119.4260	0.328	2	119.7165	0.725	47	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]O)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]O){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){2|H<1>,3|C<3>}	119.2120	0.000	1	119.5831	1.084	16	119.7165	0.725	47	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]O)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]O){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){2|H<1>,3|C<3>}	117.7345	0.643	2	119.5831	1.084	16	119.7165	0.725	47	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]O)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]O){2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|C<4>,1|H<1>,3|C<3>}	119.9530	0.000	1	119.5831	1.084	16	119.7165	0.725	47	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]O)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]O){2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){2|H<1>,3|C<3>}	120.0514	0.534	7	119.5831	1.084	16	119.7165	0.725	47	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]O)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]O){2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|O<1>,1|O<2>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){2|H<1>,3|C<3>}	120.3693	0.626	3	119.5831	1.084	16	119.7165	0.725	47	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]O)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]O){2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|O<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){2|H<1>,3|C<3>}	119.3090	0.000	1	119.5831	1.084	16	119.7165	0.725	47	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]O)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]O){3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){2|H<1>,3|C<3>}	117.9190	0.000	1	119.5831	1.084	16	119.7165	0.725	47	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]O)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]O){1|N<2>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O){1|C<4>,1|H<1>,3|C<3>}	119.9130	0.000	1	119.6485	0.140	2	119.7165	0.725	47	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]O)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]O){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|O<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O){2|H<1>,3|C<3>}	119.3840	0.000	1	119.6485	0.140	2	119.7165	0.725	47	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]O)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]O){3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(O){2|H<1>,5|C<3>}	119.0055	0.238	2	119.0055	0.057	2	119.7165	0.725	47	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]O)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Br)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]O){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Br)(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	120.5210	0.000	1	120.5210	0.000	1	119.7165	0.725	47	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]O)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6])(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]O){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6])(O){1|H<1>,3|C<3>,3|N<3>}	120.0995	0.286	2	120.0635	0.029	4	119.7165	0.725	47	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]O)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6])(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]O){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6])(O){1|N<2>,2|C<3>,2|H<1>,2|N<3>}	120.0275	0.030	2	120.0635	0.029	4	119.7165	0.725	47	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]O)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	120.2300	0.262	2	120.3764	0.349	5	119.7165	0.725	47	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]O)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|O<1>,2|C<3>,2|N<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	121.3230	0.000	1	120.3764	0.349	5	119.7165	0.725	47	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]O)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]O){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|Br<1>,1|N<2>,1|O<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	120.3460	0.000	1	120.3764	0.349	5	119.7165	0.725	47	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]O)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]O){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|N<2>,1|N<3>,1|O<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	119.7530	0.000	1	120.3764	0.349	5	119.7165	0.725	47	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]O)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]O){1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|N<3>,2|C<3>,2|H<1>}	120.4087	0.315	4	120.4236	0.076	5	119.7165	0.725	47	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]O)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]O){2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|N<2>,2|C<3>,2|H<1>}	120.4830	0.000	1	120.4236	0.076	5	119.7165	0.725	47	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]O)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]O){1|O<1>,1|S<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(O){1|H<1>,1|N<3>,3|C<3>}	119.3020	0.000	1	119.3020	0.000	1	119.7165	0.725	47	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]O)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]O){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(O){1|H<1>,1|N<3>,1|S<4>,4|C<3>}	120.3600	0.000	1	120.2030	0.049	2	119.7165	0.725	47	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]O)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]O){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(O){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	120.0460	0.000	1	120.2030	0.049	2	119.7165	0.725	47	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]O)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	119.9470	0.000	1	119.8260	0.029	2	119.7165	0.725	47	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]O)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]O){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	119.7050	0.000	1	119.8260	0.029	2	119.7165	0.725	47	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(N[6]N[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a,6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(N[6]N[6]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a,6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	119.1960	0.000	1	119.1960	0.000	1	119.1960	0.000	1	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:I-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]I)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(I)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]I)(N[6]C[6]H){2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(I){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|I<1>,3|C<3>}	122.2460	0.460	2	122.2460	0.211	2	122.2460	0.211	2	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:I-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]I)(N[6]C[6]O)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(I)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]I)(N[6]C[6]O){2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(I){1|H<1>,1|O<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|H<1>,1|I<1>,3|C<3>}	123.0270	0.000	1	123.0270	0.000	1	123.0270	0.000	1	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(N[6]C[6,6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6])(H)	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(N[6]C[6,6a]H){1|H<1>,1|S<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6])(H){1|H<1>,1|N<3>,1|S<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(H){2|H<1>,5|C<3>}	119.3970	0.051	2	119.3970	0.003	2	121.4941	1.300	10	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(N[6]C[6,6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6])(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(N[6]C[6,6a]H){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6])(H){1|N<3>,2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(H){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	122.1190	0.000	1	122.1190	0.000	1	121.4941	1.300	10	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(N[6]C[6,6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6])(H)	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(N[6]C[6,6a]H){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6])(H){1|N<3>,2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(H){1|H<1>,2|N<3>,4|C<3>}	121.2820	0.000	1	122.0040	0.115	7	121.4941	1.300	10	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(N[6]C[6,6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6])(H)	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(N[6]C[6,6a]H){2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6])(H){1|N<3>,2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(H){1|N<3>,2|H<1>,4|C<3>}	122.1243	0.129	6	122.0040	0.115	7	121.4941	1.300	10	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:F-1:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]H)(C[6a]C[6a]F)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]F)(F)	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]H)(C[6a]C[6a]F){2|F<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]F)(F){1|F<1>,1|H<1>,1|N<3>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(H){1|C<2>,1|F<1>,1|N<3>,4|C<3>}	120.7910	0.000	1	120.7910	0.000	1	120.7910	0.000	1	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[5a,6]H)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(H){1|N<3>,2|H<1>,4|C<3>}	119.9300	0.000	1	119.9300	0.000	1	120.0845	0.651	4	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[5a,6]C[5a,6a]N[5a,6])(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[5a,6]H)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[6](C[5a,6]C[5a,6a]N[5a,6])(C[6,6a]C[6,6a]C[6a])(H){1|H<1>,1|N<3>,5|C<3>}	119.2100	0.000	1	119.2100	0.000	1	120.0845	0.651	4	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[5a,6]H)(C[6a]C[6a]H){1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(H){1|C<4>,1|H<1>,5|C<3>}	120.5990	0.796	2	120.5990	0.634	2	120.0845	0.651	4	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6]C[6,6a]H)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6]C[6,6a]H)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(H){1|C<4>,2|H<1>,4|C<3>}	119.5385	0.317	2	119.5385	0.101	2	120.0142	1.800	255	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6]C[6,6a]H)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6]C[6,6a]H)(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])2(H){1|C<4>,2|H<1>,4|C<3>}	120.9120	0.853	2	120.9120	0.727	2	120.0142	1.800	255	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[5a,6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[5a,6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(H)	C[6,6a](C[6,6a]C[5a,6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[5a,6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(H){1|C<4>,2|H<1>,4|C<3>}	116.5320	0.000	1	116.5320	0.000	1	120.0142	1.800	255	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(N[6]C[6,6a]H)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(N[6]C[6,6a]H)(C[6a]C[6a]H){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])2(H){1|C<4>,2|H<1>,4|C<3>}	119.5650	0.052	2	119.5650	0.003	2	120.0142	1.800	255	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a,6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a,6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(H){1|C<4>,2|H<1>,4|C<3>}	119.3705	0.136	2	118.6008	0.798	4	120.0142	1.800	255	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a,6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a,6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(H){1|C<4>,2|H<1>,4|C<3>}	117.8310	0.075	2	118.6008	0.798	4	120.0142	1.800	255	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Cl)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Cl)(H){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(H){2|H<1>,5|C<3>}	117.9040	1.370	2	118.4297	1.304	4	120.0142	1.800	255	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Cl)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){2|Cl<1>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Cl)(H){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(H){1|N<2>,2|H<1>,4|C<3>}	118.9555	0.964	2	118.4297	1.304	4	120.0142	1.800	255	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)(H){1|H<1>,2|C<4>,4|C<3>}	119.1245	0.429	2	119.1245	0.184	2	120.0142	1.800	255	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])2(H){1|C<4>,2|H<1>,4|C<3>}	121.1090	0.020	2	119.6261	0.828	159	120.0142	1.800	255	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){1|C<6>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])2(H){1|C<4>,2|H<1>,4|C<3>}	120.4130	0.061	2	119.6261	0.828	159	120.0142	1.800	255	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){1|Cl<1>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(H){1|H<1>,1|O<2>,5|C<3>}	121.0350	0.000	1	119.6261	0.828	159	120.0142	1.800	255	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(H){2|H<1>,5|C<3>}	118.9931	0.585	8	119.6261	0.828	159	120.0142	1.800	255	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(H){2|H<1>,5|C<3>}	119.5800	0.000	1	119.6261	0.828	159	120.0142	1.800	255	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(H){2|H<1>,5|C<3>}	118.3265	1.293	2	119.6261	0.828	159	120.0142	1.800	255	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(H){2|H<1>,5|C<3>}	119.1445	0.727	72	119.6261	0.828	159	120.0142	1.800	255	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){1|Rh<8>,1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(H){2|H<1>,5|C<3>}	121.7500	0.000	1	119.6261	0.828	159	120.0142	1.800	255	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){1|S<1>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(H){2|H<1>,5|C<3>}	118.7685	0.407	2	119.6261	0.828	159	120.0142	1.800	255	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){1|S<2>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(H){2|H<1>,5|C<3>}	119.7040	0.191	2	119.6261	0.828	159	120.0142	1.800	255	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(H){1|C<4>,2|H<1>,4|C<3>}	119.4335	0.465	2	119.6261	0.828	159	120.0142	1.800	255	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])2(H){1|C<4>,2|H<1>,4|C<3>}	119.1540	0.371	2	119.6261	0.828	159	120.0142	1.800	255	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(H){2|H<1>,5|C<3>}	119.9190	0.231	2	119.6261	0.828	159	120.0142	1.800	255	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(H){1|C<4>,2|H<1>,4|C<3>}	119.8590	0.147	2	119.6261	0.828	159	120.0142	1.800	255	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(H){2|H<1>,5|C<3>}	120.2137	0.707	54	119.6261	0.828	159	120.0142	1.800	255	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(H){1|C<4>,2|H<1>,4|C<3>}	121.4840	0.000	1	119.6261	0.828	159	120.0142	1.800	255	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])2(H){1|C<4>,2|H<1>,4|C<3>}	120.3850	0.000	1	119.6261	0.828	159	120.0142	1.800	255	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])2(H){1|C<4>,2|H<1>,4|C<3>}	120.5305	0.310	2	119.6261	0.828	159	120.0142	1.800	255	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(H){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(H){2|H<1>,5|C<3>}	120.8523	0.171	3	120.8523	0.029	3	120.0142	1.800	255	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Ru)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){1|Ru<6>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Ru)(H){1|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(H){2|H<1>,5|C<3>}	122.3640	0.000	1	122.3640	0.000	1	120.0142	1.800	255	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])2(H){1|N<2>,2|H<1>,4|C<3>}	121.4795	0.725	35	121.4375	0.557	41	120.0142	1.800	255	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])2(H){1|N<3>,2|H<1>,4|C<3>}	121.1930	0.891	6	121.4375	0.557	41	120.0142	1.800	255	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(H){1|N<2>,2|H<1>,4|C<3>}	121.8820	0.000	1	121.8820	0.000	1	120.0142	1.800	255	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)(H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(H){1|H<1>,1|N<2>,5|C<3>}	121.6960	0.033	2	121.6960	0.001	2	120.0142	1.800	255	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){2|C<4>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)(H){1|O<2>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])2(H){1|C<2>,1|H<1>,1|O<2>,4|C<3>}	121.2160	0.000	1	121.2160	0.000	1	120.0142	1.800	255	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){1|H<1>,1|P<3>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])2(H){1|O<2>,2|H<1>,4|C<3>}	122.4805	0.586	2	123.3098	1.275	9	120.0142	1.800	255	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){1|H<1>,1|P<4>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])2(H){1|O<2>,2|H<1>,4|C<3>}	123.7960	1.046	6	123.3098	1.275	9	120.0142	1.800	255	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])2(H){1|C<2>,1|H<1>,1|O<2>,4|C<3>}	122.0510	0.000	1	123.3098	1.275	9	120.0142	1.800	255	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]P[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]P[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){1|S<1>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|P<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])2(H){1|P<4>,2|H<1>,4|C<3>}	118.4185	0.087	2	118.4185	0.008	2	120.0142	1.800	255	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)(H){1|S<2>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])2(H){1|S<2>,2|H<1>,4|C<3>}	119.9590	0.000	1	119.9590	0.000	1	120.0142	1.800	255	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|S<2>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])2(H){1|H<1>,1|S<2>,5|C<3>}	119.6458	0.669	6	119.0159	0.447	16	120.0142	1.800	255	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|S<2>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])2(H){1|S<2>,2|C<3>,2|H<1>,2|N<2>}	118.9510	0.000	1	119.0159	0.447	16	120.0142	1.800	255	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|S<2>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])2(H){1|S<2>,2|H<1>,4|C<3>}	118.6031	0.261	9	119.0159	0.447	16	120.0142	1.800	255	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]N[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]N[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(H){1|N<2>,2|H<1>,4|C<3>}	119.4660	1.073	2	119.4660	1.152	2	120.0142	1.800	255	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)(H){1|H<1>,1|O<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	118.6765	0.507	2	118.6765	0.257	2	119.3876	0.899	14	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]O)(C[6a]C[6a]H){1|Cl<1>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	119.6227	0.271	4	119.1876	0.335	10	119.3876	0.899	14	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]O)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(O){1|C<4>,2|H<1>,4|C<3>}	118.5385	0.412	2	119.1876	0.335	10	119.3876	0.899	14	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]O)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	118.5845	0.026	2	119.1876	0.335	10	119.3876	0.899	14	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]O)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	119.5695	0.050	2	119.1876	0.335	10	119.3876	0.899	14	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(O){1|N<2>,2|H<1>,4|C<3>}	121.0985	1.071	2	121.0985	1.148	2	119.3876	0.899	14	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	N[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](N[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]N[6,6a]N[6])(C[6a]C[6a]C)(H)	N[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6,6a]O)(H)	C[6,6a](N[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C[6a](C[6,6a]N[6,6a]N[6])(C[6a]C[6a]C)(H){2|H<1>,3|C<3>}	N[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6,6a]O)(H){1|H<1>,4|C<3>}	120.3550	0.000	1	120.3550	0.000	1	120.3550	0.000	1	119.9754	1.532	765	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-2:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6])	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[6]C[6a]C[6])(C[6a]C[6a]H){1|H<1>,1|N<3>,5|C<3>}	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]){1|C<4>,3|H<1>,5|C<3>}	123.4430	0.000	1	123.4430	0.000	1	123.4430	0.000	1	122.7165	1.108	43	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5a,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[5a,6a]H)(N[6]C[6a]N[6])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[5a,6a]H)(N[6]C[6a]N[6]){1|H<1>,1|N<3>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(H){3|N<2>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]){1|N<2>,3|H<1>,5|C<3>}	122.8230	0.000	1	122.8230	0.000	1	122.3520	0.102	4	122.7165	1.108	43	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5a,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[5a,6a]H)(N[6]C[6a]N[6])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6,6a]C[6,6a]N[6])(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[5a,6a]H)(N[6]C[6a]N[6]){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6,6a]C[6,6a]N[6])(H){3|C<3>,3|N<2>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]){1|N<2>,3|H<1>,5|C<3>}	122.1110	0.000	1	122.1110	0.000	1	122.3520	0.102	4	122.7165	1.108	43	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5a,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[5a,6a]H)(N[6]C[6a]N[6])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6,6a]C[6,6a]N[6])(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[5a,6a]H)(N[6]C[6a]N[6]){1|H<1>,1|S<2>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6,6a]C[6,6a]N[6])(H){3|C<3>,3|N<2>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]){1|N<2>,3|H<1>,5|C<3>}	122.2370	0.000	2	122.2370	0.000	2	122.3520	0.102	4	122.7165	1.108	43	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-2:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(CN)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]C){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,1|S<2>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(CN){1|S<2>,2|H<1>,4|C<3>}	120.9090	0.000	1	121.2455	0.226	2	121.2455	0.226	2	122.7165	1.108	43	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-2:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(CN)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]C){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<2>,1|O<2>,1|S<2>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(CN){1|S<2>,2|H<1>,4|C<3>}	121.5820	0.000	1	121.2455	0.226	2	121.2455	0.226	2	122.7165	1.108	43	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:N-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]N)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]N){2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NC){2|H<1>,3|C<3>}	121.4650	0.000	1	121.4650	0.000	1	121.4650	0.000	1	122.7165	1.108	43	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]O)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OB)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]O){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OB){2|H<1>,3|C<3>}	120.2080	0.000	1	120.2080	0.000	1	120.2080	0.000	1	122.7165	1.108	43	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(N[6]C[6a]N[6])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(N[6]C[6a]N[6]){1|H<1>,1|N<3>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(H){3|C<3>,4|N<2>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]){1|N<2>,3|H<1>,5|C<3>}	123.2310	0.000	1	122.6800	0.281	3	122.6800	0.281	3	122.7165	1.108	43	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(N[6]C[6a]N[6])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(N[6]C[6a]N[6]){1|N<3>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(H){3|C<3>,4|N<2>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]){1|N<2>,3|H<1>,5|C<3>}	122.4045	0.326	2	122.6800	0.281	3	122.6800	0.281	3	122.7165	1.108	43	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C-2:	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(CC)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,1|S<3>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(CC){1|S<3>,2|H<1>,4|C<3>}	120.4820	0.499	2	120.6275	0.118	4	120.6275	0.118	4	122.7165	1.108	43	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C-2:	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(CC)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,2|O<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,1|S<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(CC){1|S<4>,2|H<1>,4|C<3>}	120.8750	0.000	1	120.6275	0.118	4	120.6275	0.118	4	122.7165	1.108	43	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C-2:	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(CC)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,1|S<2>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(CC){1|S<2>,2|H<1>,4|C<3>}	120.6710	0.000	1	120.6275	0.118	4	120.6275	0.118	4	122.7165	1.108	43	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a](C[6,6a]C[5a,6a]N[6])(N[6]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[5a,6a]C)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6])	C[6,6a](C[6,6a]C[5a,6a]N[6])(N[6]C[6a]N[6])(C[6a]C[6a]H){1|N<2>,5|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[5a,6a]C)(H){2|C<3>,3|N<2>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]){1|C<4>,1|N<2>,3|H<1>,4|C<3>}	123.2520	0.000	1	123.2520	0.000	1	123.3054	0.193	27	122.7165	1.108	43	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[5a]C[6a])(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6a]N[6])(C[6a]C[6a]H){1|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[5a]C[6a])(H){1|H<1>,1|O<2>,2|N<2>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]){1|N<2>,3|H<1>,5|C<3>}	123.1460	0.000	1	123.1460	0.000	1	123.3054	0.193	27	122.7165	1.108	43	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)(H){1|H<1>,2|C<3>,2|N<2>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]){1|C<4>,1|N<2>,3|H<1>,4|C<3>}	122.1750	0.000	1	123.3210	0.604	6	123.3054	0.193	27	122.7165	1.108	43	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)(H){1|H<1>,2|C<3>,2|N<2>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]){1|N<2>,3|H<1>,5|C<3>}	123.1425	0.637	2	123.3210	0.604	6	123.3054	0.193	27	122.7165	1.108	43	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6a]N[6])(C[6a]C[6a]H){1|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)(H){1|H<1>,2|C<3>,2|N<2>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]){1|C<4>,1|N<2>,3|H<1>,4|C<3>}	124.0320	0.000	1	123.3210	0.604	6	123.3054	0.193	27	122.7165	1.108	43	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6a]N[6])(C[6a]C[6a]H){1|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)(H){1|H<1>,2|C<3>,2|N<2>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]){1|N<2>,3|H<1>,5|C<3>}	123.7170	0.646	2	123.3210	0.604	6	123.3054	0.193	27	122.7165	1.108	43	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C[5])(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6a]N[6])(C[6a]C[6a]H){1|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C[5])(H){1|H<1>,2|C<3>,2|N<2>,2|N<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]){1|N<2>,3|H<1>,5|C<3>}	123.3135	0.026	2	123.3135	0.001	2	123.3054	0.193	27	122.7165	1.108	43	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6a]N[6])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<2>,2|C<3>,2|N<2>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]){1|C<4>,1|N<2>,3|H<1>,4|C<3>}	123.1880	0.000	1	123.2529	0.085	15	123.3054	0.193	27	122.7165	1.108	43	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6a]N[6])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<2>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]){1|C<4>,1|N<2>,3|H<1>,4|C<3>}	123.1543	0.065	4	123.2529	0.085	15	123.3054	0.193	27	122.7165	1.108	43	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6a]N[6])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<2>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]){1|N<2>,1|O<2>,2|H<1>,5|C<3>}	122.9260	0.123	2	123.2529	0.085	15	123.3054	0.193	27	122.7165	1.108	43	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6a]N[6])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<2>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]){1|N<2>,3|H<1>,5|C<3>}	123.3921	0.328	8	123.2529	0.085	15	123.3054	0.193	27	122.7165	1.108	43	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]N[6a])(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6a]N[6])(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<2>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]N[6a])(N[6]C[6]){1|N<2>,2|H<1>,5|C<3>}	123.7505	0.588	2	123.7505	0.345	2	123.3054	0.193	27	122.7165	1.108	43	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[5,6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6,6a]C[5,6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,7|C<3>}	C[6a](C[6,6a]C[5,6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2){1|C<4>,4|H<1>,6|C<3>}	127.1260	0.020	2	127.1260	0.000	2	127.1260	0.000	2	121.7133	2.120	588	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6,6a]C[6,6,6a]C[6,6a])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6,6a]C[6a])(C[6a]C[6a]2)	C[6,6a](C[6,6,6a]C[6,6,6a]C[6,6a])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,6|C<3>}	C[6a](C[6,6a]C[6,6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6,6a]C[6a])(C[6a]C[6a]2){4|H<1>,7|C<3>}	121.9020	0.622	2	121.9020	0.387	2	121.9020	0.387	2	121.7133	2.120	588	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-3:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]Ir)(CCC)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C){1|Ir<6>,1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]Ir)(CCC){1|H<1>,4|C<3>}	123.0800	0.556	2	123.0800	0.309	2	123.0800	0.309	2	121.7133	2.120	588	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a,6a]C[6,6,6a]C[6a,6a])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6,6a]C[6a])(C[6a]C[6a]2)	C[6,6a](C[6,6a,6a]C[6,6,6a]C[6a,6a])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,6|C<3>}	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6,6a]C[6a])(C[6a]C[6a]2){4|H<1>,7|C<3>}	121.8250	0.211	2	121.8250	0.044	2	121.8250	0.044	2	121.7133	2.120	588	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]N[6])(C[6a]C[6a]2)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[6]C[6a]C[6])(C[6a]C[6a]H){1|H<1>,1|N<3>,6|C<3>}	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]N[6])(C[6a]C[6a]2){2|N<3>,3|H<1>,6|C<3>}	123.9830	0.000	1	123.9830	0.000	1	123.9830	0.000	1	121.7133	2.120	588	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[6]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]H){3|H<1>,6|C<3>}	122.3480	0.134	2	122.3480	0.018	2	123.2892	0.861	33	121.7133	2.120	588	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]Ir)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[6]C[6a]C[6])(C[6a]C[6a]H){1|Ir<6>,1|H<1>,1|N<3>,5|C<3>}	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]Ir){1|C<4>,2|H<1>,5|C<3>}	124.1527	1.022	9	123.5007	0.817	26	123.2892	0.861	33	121.7133	2.120	588	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]Ir)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[6]C[6a]C[6])(C[6a]C[6a]H){1|Ir<6>,1|H<1>,1|N<3>,5|C<3>}	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]Ir){1|C<4>,3|H<1>,5|C<3>}	122.8888	0.367	10	123.5007	0.817	26	123.2892	0.861	33	121.7133	2.120	588	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]Ir)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[6]C[6a]C[6])(C[6a]C[6a]H){1|Ir<6>,1|H<1>,1|N<3>,5|C<3>}	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]Ir){3|H<1>,6|C<3>}	122.7915	0.619	2	123.5007	0.817	26	123.2892	0.861	33	121.7133	2.120	588	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]Ir)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[6]C[6a]C[6])(C[6a]C[6a]H){1|Ir<7>,1|H<1>,1|N<3>,5|C<3>}	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]Ir){1|C<4>,2|H<1>,5|C<3>}	123.8348	0.581	5	123.5007	0.817	26	123.2892	0.861	33	121.7133	2.120	588	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]Rh)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[6]C[6a]C[6])(C[6a]C[6a]H){1|Rh<6>,1|H<1>,1|N<3>,5|C<3>}	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]Rh){1|C<4>,3|H<1>,5|C<3>}	123.0360	0.000	1	123.0360	0.000	1	123.2892	0.861	33	121.7133	2.120	588	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]S)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[6]C[6a]C[6])(C[6a]C[6a]H){1|H<1>,1|N<3>,1|S<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]S){3|H<1>,6|C<3>}	122.4483	0.653	4	122.4483	0.427	4	123.2892	0.861	33	121.7133	2.120	588	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(COO)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(COO){2|C<3>,2|C<4>,2|H<1>}	120.5020	0.000	1	120.0515	0.406	2	120.2941	1.226	10	121.7133	2.120	588	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(COO)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(COO){2|C<3>,2|C<4>,2|H<1>}	119.6010	0.000	1	120.0515	0.406	2	120.2941	1.226	10	121.7133	2.120	588	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CN[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CN[6]O){1|C<4>,2|C<3>,3|H<1>}	120.1470	0.000	1	120.1470	0.000	1	120.2941	1.226	10	121.7133	2.120	588	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CHH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C){2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CHH){1|N<2>,2|C<3>,2|H<1>}	122.0730	0.000	1	122.0730	0.000	1	120.2941	1.226	10	121.7133	2.120	588	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|N<3>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	119.5445	0.094	4	119.5445	0.009	4	120.2941	1.226	10	121.7133	2.120	588	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-3:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(COO)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(COO){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	122.5120	0.000	1	122.5120	0.000	1	120.2941	1.226	10	121.7133	2.120	588	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-3:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(COO)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|S<3>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(COO){1|S<3>,2|C<3>,3|H<1>}	119.9280	0.000	1	119.9280	0.000	1	120.2941	1.226	10	121.7133	2.120	588	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[5a,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[5a,6a]H){1|H<1>,1|N<3>,2|C<4>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(H){1|C<4>,6|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|C<4>,4|H<1>,6|C<3>}	119.6530	0.000	1	119.6530	0.000	1	119.6530	0.000	1	121.7133	2.120	588	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6,6a]H)	C[6a](C[6,6a]C[6,6a]N[6])2(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6,6a]H){1|H<1>,1|N<3>,2|C<4>,5|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])2(H){2|C<4>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|C<4>,4|H<1>,6|C<3>}	123.1705	0.062	2	123.1705	0.004	2	123.1705	0.004	2	121.7133	2.120	588	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:F-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]F)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]F)(F)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]F){1|H<1>,2|F<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]F)(F){1|F<1>,1|N<3>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|C<2>,1|N<3>,3|F<1>,6|C<3>}	121.7790	0.000	1	121.7790	0.000	1	121.7790	0.000	1	121.7133	2.120	588	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:F-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6a]C[6])(C[6a]C[6a]F)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]F)(F)	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]Ti)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6a]C[6])(C[6a]C[6a]F){1|Ti<11>,1|N<2>,1|N<3>,2|F<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]F)(F){1|F<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]Ti){1|F<1>,2|C<4>,5|C<3>}	123.3880	0.000	1	123.3880	0.000	1	123.3880	0.000	1	121.7133	2.120	588	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:B-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]B)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(BCl2)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]B)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(BCl2){2|H<1>,5|C<3>}	121.1400	0.115	2	121.1400	0.013	2	121.5764	2.387	18	121.7133	2.120	588	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:B-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]B)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(BN[6]Cl)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]B)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|B<3>,1|C<4>,1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(BN[6]Cl){1|C<4>,2|H<1>,4|C<3>}	121.2913	0.987	4	120.9129	0.802	8	121.5764	2.387	18	121.7133	2.120	588	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:B-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]B)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(BN[6]Cl)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]B)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(BN[6]Cl){2|H<1>,5|C<3>}	120.5345	0.718	4	120.9129	0.802	8	121.5764	2.387	18	121.7133	2.120	588	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:B-3:	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]B)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(BC[6a]2)	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]B)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,1|O<2>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(BC[6a]2){1|O<2>,2|H<1>,4|C<3>}	123.5400	1.188	4	123.5400	1.411	4	121.5764	2.387	18	121.7133	2.120	588	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:B-3:	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]B)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(BC[6a]2)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]B)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,1|S<2>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(BC[6a]2){1|S<2>,2|H<1>,4|C<3>}	121.1580	1.889	4	121.1580	3.568	4	121.5764	2.387	18	121.7133	2.120	588	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(CCH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(CCH){1|C<4>,2|H<1>,4|C<3>}	120.5690	0.436	2	120.5690	0.190	2	121.9226	0.740	33	121.7133	2.120	588	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(COO)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(COO){2|H<1>,5|C<3>}	121.3100	0.666	2	122.2630	1.510	4	121.9226	0.740	33	121.7133	2.120	588	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(COO)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|O<2>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(COO){2|H<1>,5|C<3>}	123.2160	0.673	2	122.2630	1.510	4	121.9226	0.740	33	121.7133	2.120	588	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C-3:	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(CCO)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(CCO){1|H<1>,1|N<2>,1|O<2>,4|C<3>}	123.4860	0.000	1	123.4860	0.000	1	121.9226	0.740	33	121.7133	2.120	588	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C-3:	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(CCO)	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(CCO){1|O<2>,2|H<1>,4|C<3>}	122.7810	0.148	2	122.7810	0.022	2	121.9226	0.740	33	121.7133	2.120	588	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C-3:	C[6,6a](C[6,6a]C[6a]P[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(COO)	C[6,6a](C[6,6a]C[6a]P[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|S<1>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(COO){1|P<4>,2|H<1>,4|C<3>}	121.4430	0.682	2	121.4430	0.465	2	121.9226	0.740	33	121.7133	2.120	588	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C-3:	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(CCC)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(CCC){1|S<2>,2|H<1>,4|C<3>}	121.2610	0.309	4	121.2610	0.096	4	121.9226	0.740	33	121.7133	2.120	588	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C-3:	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(CCH)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|Br<1>,1|S<2>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(CCH){1|S<2>,2|H<1>,4|C<3>}	121.6240	0.000	1	121.4090	0.088	4	121.9226	0.740	33	121.7133	2.120	588	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C-3:	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(CCH)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(CCH){1|S<2>,2|H<1>,4|C<3>}	121.3715	0.443	2	121.4090	0.088	4	121.9226	0.740	33	121.7133	2.120	588	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C-3:	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(CCH)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|S<2>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(CCH){1|S<2>,2|H<1>,4|C<3>}	121.2690	0.000	1	121.4090	0.088	4	121.9226	0.740	33	121.7133	2.120	588	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C-3:	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(CCO)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,2|O<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(CCO){1|S<4>,2|H<1>,4|C<3>}	121.7705	0.446	2	121.9090	0.095	4	121.9226	0.740	33	121.7133	2.120	588	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C-3:	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(CCO)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(CCO){1|S<2>,2|H<1>,4|C<3>}	122.0475	0.091	2	121.9090	0.095	4	121.9226	0.740	33	121.7133	2.120	588	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C-3:	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(CC[5]O)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(CC[5]O){1|S<2>,2|H<1>,4|C<3>}	121.7355	0.235	4	121.7355	0.055	4	121.9226	0.740	33	121.7133	2.120	588	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C-3:	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(CHO)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|N<3>,1|S<2>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(CHO){1|S<2>,2|H<1>,4|C<3>}	122.6950	0.151	2	122.6950	0.023	2	121.9226	0.740	33	121.7133	2.120	588	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C-3:	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(CNO)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|N<3>,1|S<2>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(CNO){1|S<2>,2|H<1>,4|C<3>}	122.6688	0.929	4	122.6688	0.863	4	121.9226	0.740	33	121.7133	2.120	588	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[5]-3:	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[5])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[5]Se[5]C[5])	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[5])(C[6a]C[6a]H){1|Se<2>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[5]Se[5]C[5]){1|S<2>,3|H<1>,6|C<3>}	121.0990	0.854	4	121.0990	0.729	4	121.0990	0.729	4	121.7133	2.120	588	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[5a]-3:	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[5a])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[5a]C[5a]S[5a])	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[5a])(C[6a]C[6a]H){1|S<2>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[5a]C[5a]S[5a]){1|S<2>,3|H<1>,6|C<3>}	121.6355	0.585	4	121.6355	0.342	4	121.6355	0.342	4	121.7133	2.120	588	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]C[6]){1|N<2>,1|O<2>,3|H<1>,6|C<3>}	122.0985	0.254	2	122.0985	0.064	2	122.0985	0.064	2	121.7133	2.120	588	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2){1|C<4>,4|H<1>,6|C<3>}	120.6770	0.075	2	120.6770	0.006	2	121.5963	2.017	451	121.7133	2.120	588	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|C<4>,4|H<1>,6|C<3>}	120.3419	0.526	12	120.3419	0.277	12	121.5963	2.017	451	121.7133	2.120	588	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5a,6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[5a,6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[5a,6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|H<1>,2|C<4>,6|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[5a,6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|C<4>,4|H<1>,6|C<3>}	117.7160	0.000	1	117.7160	0.000	1	121.5963	2.017	451	121.7133	2.120	588	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6,6]C[6a])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|C<4>,4|H<1>,6|C<3>}	120.1106	0.477	16	120.1106	0.227	16	121.5963	2.017	451	121.7133	2.120	588	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]N[6a])	C[6,6a](C[6,6a]C[6,6]C[6a])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]N[6a]){1|C<4>,3|H<1>,6|C<3>}	120.0215	0.176	2	120.0215	0.031	2	121.5963	2.017	451	121.7133	2.120	588	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6,6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6,6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,2|C<4>,5|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6,6a]H)(H){2|C<4>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|C<4>,4|H<1>,6|C<3>}	118.4620	0.011	2	118.4620	0.000	2	121.5963	2.017	451	121.7133	2.120	588	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2){1|C<4>,3|H<1>,7|C<3>}	119.5145	0.168	2	119.5145	0.028	2	121.5963	2.017	451	121.7133	2.120	588	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,6|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,7|C<3>}	119.4910	1.385	4	120.6583	0.698	113	121.5963	2.017	451	121.7133	2.120	588	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|O<2>,2|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|C<4>,4|H<1>,6|C<3>}	121.8200	0.287	2	120.6583	0.698	113	121.5963	2.017	451	121.7133	2.120	588	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|C<4>,1|S<4>,3|H<1>,6|C<3>}	120.0332	0.426	10	120.6583	0.698	113	121.5963	2.017	451	121.7133	2.120	588	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|C<4>,2|F<1>,2|H<1>,6|C<3>}	120.9233	0.817	18	120.6583	0.698	113	121.5963	2.017	451	121.7133	2.120	588	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|C<4>,4|H<1>,6|C<3>}	120.7339	0.813	51	120.6583	0.698	113	121.5963	2.017	451	121.7133	2.120	588	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|N<2>,2|C<4>,3|H<1>,5|C<3>}	121.3335	0.221	2	120.6583	0.698	113	121.5963	2.017	451	121.7133	2.120	588	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){2|C<4>,3|H<1>,6|C<3>}	120.2519	0.707	9	120.6583	0.698	113	121.5963	2.017	451	121.7133	2.120	588	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|C<4>,4|H<1>,6|C<3>}	120.1520	0.000	1	120.6583	0.698	113	121.5963	2.017	451	121.7133	2.120	588	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){2|C<4>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|C<4>,4|H<1>,6|C<3>}	120.1605	0.230	2	120.6583	0.698	113	121.5963	2.017	451	121.7133	2.120	588	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){3|H<1>,8|C<3>}	121.0940	0.109	2	120.6583	0.698	113	121.5963	2.017	451	121.7133	2.120	588	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,7|C<3>}	120.5480	0.055	2	120.6583	0.698	113	121.5963	2.017	451	121.7133	2.120	588	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|C<4>,1|N<2>,4|H<1>,5|C<3>}	121.1235	0.822	2	120.6583	0.698	113	121.5963	2.017	451	121.7133	2.120	588	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|C<4>,4|H<1>,6|C<3>}	120.9339	0.687	8	120.6583	0.698	113	121.5963	2.017	451	121.7133	2.120	588	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]N[6a])	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|N<2>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]N[6a]){1|C<4>,3|H<1>,6|C<3>}	121.3995	1.114	2	121.3995	1.240	2	121.5963	2.017	451	121.7133	2.120	588	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]Ge[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]Ge[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|Ge<4>,1|C<4>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|Ge<4>,4|H<1>,6|C<3>}	120.0045	0.542	2	120.0045	0.294	2	121.5963	2.017	451	121.7133	2.120	588	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C[5])(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|H<1>,7|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C[5])(H){1|H<1>,3|C<3>,3|N<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|N<3>,4|H<1>,6|C<3>}	120.8973	0.207	3	120.8973	0.043	3	121.5963	2.017	451	121.7133	2.120	588	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|N<3>,1|N<4>,3|H<1>,6|C<3>}	120.8440	0.216	2	121.7513	0.339	46	121.5963	2.017	451	121.7133	2.120	588	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|N<2>,4|H<1>,6|C<3>}	122.2707	0.369	18	121.7513	0.339	46	121.5963	2.017	451	121.7133	2.120	588	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|N<3>,4|H<1>,6|C<3>}	121.4472	0.439	22	121.7513	0.339	46	121.5963	2.017	451	121.7133	2.120	588	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|N<3>,4|H<1>,6|C<3>}	121.3080	0.000	1	121.7513	0.339	46	121.5963	2.017	451	121.7133	2.120	588	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|N<3>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|N<3>,4|H<1>,6|C<3>}	121.6170	0.204	3	121.7513	0.339	46	121.5963	2.017	451	121.7133	2.120	588	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a]){1|N<3>,2|H<1>,8|C<3>}	122.4180	0.000	1	122.4180	0.000	1	121.5963	2.017	451	121.7133	2.120	588	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2){1|N<2>,3|H<1>,7|C<3>}	122.2900	0.000	1	122.2726	0.256	8	121.5963	2.017	451	121.7133	2.120	588	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2){1|N<3>,3|H<1>,7|C<3>}	122.2701	0.546	7	122.2726	0.256	8	121.5963	2.017	451	121.7133	2.120	588	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(H){1|N<2>,1|N<3>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|N<2>,4|H<1>,6|C<3>}	122.9007	0.358	3	122.7427	0.176	19	121.5963	2.017	451	121.7133	2.120	588	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,5|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(H){1|H<1>,1|N<2>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|N<2>,4|H<1>,6|C<3>}	122.3570	0.337	2	122.7427	0.176	19	121.5963	2.017	451	121.7133	2.120	588	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,5|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(H){1|N<2>,1|N<3>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|N<2>,4|H<1>,6|C<3>}	122.7256	0.423	13	122.7427	0.176	19	121.5963	2.017	451	121.7133	2.120	588	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,5|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(H){2|N<2>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|N<2>,4|H<1>,6|C<3>}	123.2620	0.000	1	122.7427	0.176	19	121.5963	2.017	451	121.7133	2.120	588	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,5|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)(H){1|H<1>,1|N<2>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|N<2>,4|H<1>,6|C<3>}	121.5560	0.000	1	120.9850	0.652	2	121.5963	2.017	451	121.7133	2.120	588	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,6|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|N<3>,4|H<1>,6|C<3>}	120.4140	0.000	1	120.9850	0.652	2	121.5963	2.017	451	121.7133	2.120	588	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a,6a]C[6a])	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a,6a]C[6a]){1|O<2>,3|H<1>,7|C<3>}	122.6897	0.158	6	122.6897	0.025	6	121.5963	2.017	451	121.7133	2.120	588	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a,6a]N[6a])	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a,6a]N[6a]){1|O<2>,2|H<1>,7|C<3>}	123.1025	0.656	10	123.1025	0.430	10	121.5963	2.017	451	121.7133	2.120	588	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|B<3>,1|O<2>,3|H<1>,6|C<3>}	122.9265	0.407	2	123.2651	1.696	89	121.5963	2.017	451	121.7133	2.120	588	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|C<4>,1|O<2>,3|H<1>,6|C<3>}	123.9150	0.000	1	123.2651	1.696	89	121.5963	2.017	451	121.7133	2.120	588	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|F<1>,1|O<2>,3|H<1>,6|C<3>}	123.1900	0.079	2	123.2651	1.696	89	121.5963	2.017	451	121.7133	2.120	588	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|O<2>,4|H<1>,6|C<3>}	123.2580	1.343	83	123.2651	1.696	89	121.5963	2.017	451	121.7133	2.120	588	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|O<2>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|O<2>,4|H<1>,6|C<3>}	124.0300	0.000	1	123.2651	1.696	89	121.5963	2.017	451	121.7133	2.120	588	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]N[6a])	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]N[6a]){1|O<2>,3|H<1>,6|C<3>}	123.4967	0.846	4	123.4967	0.716	4	121.5963	2.017	451	121.7133	2.120	588	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]P[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]P[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|B<4>,2|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|P<4>,4|H<1>,6|C<3>}	120.3420	0.281	4	120.3454	0.664	8	121.5963	2.017	451	121.7133	2.120	588	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]P[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]P[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|O<1>,2|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|P<4>,4|H<1>,6|C<3>}	119.3265	0.303	2	120.3454	0.664	8	121.5963	2.017	451	121.7133	2.120	588	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]P[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]P[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|S<1>,2|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|P<4>,4|H<1>,6|C<3>}	121.3710	0.372	2	120.3454	0.664	8	121.5963	2.017	451	121.7133	2.120	588	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a,6a]C[6a])	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a,6a]C[6a]){1|S<2>,3|H<1>,7|C<3>}	121.7985	1.035	4	121.7985	1.071	4	121.5963	2.017	451	121.7133	2.120	588	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,2|O<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|S<4>,4|H<1>,6|C<3>}	120.3933	0.617	3	121.2497	0.864	90	121.5963	2.017	451	121.7133	2.120	588	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,2|O<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|N<3>,1|S<4>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|S<4>,4|H<1>,6|C<3>}	121.7125	0.490	2	121.2497	0.864	90	121.5963	2.017	451	121.7133	2.120	588	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|C<4>,1|S<2>,3|H<1>,6|C<3>}	121.9826	0.885	5	121.2497	0.864	90	121.5963	2.017	451	121.7133	2.120	588	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|N<3>,1|S<2>,3|H<1>,6|C<3>}	121.1650	0.006	2	121.2497	0.864	90	121.5963	2.017	451	121.7133	2.120	588	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|O<2>,1|S<2>,3|H<1>,6|C<3>}	121.8070	0.071	2	121.2497	0.864	90	121.5963	2.017	451	121.7133	2.120	588	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|S<2>,2|C<4>,2|H<1>,6|C<3>}	119.1510	0.000	1	121.2497	0.864	90	121.5963	2.017	451	121.7133	2.120	588	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|S<2>,4|H<1>,6|C<3>}	121.2913	0.827	66	121.2497	0.864	90	121.5963	2.017	451	121.7133	2.120	588	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|N<3>,1|S<2>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|S<2>,4|H<1>,6|C<3>}	123.0935	0.343	2	121.2497	0.864	90	121.5963	2.017	451	121.7133	2.120	588	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|S<2>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|S<2>,2|C<4>,2|H<1>,6|C<3>}	119.6320	0.000	1	121.2497	0.864	90	121.5963	2.017	451	121.7133	2.120	588	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|S<2>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|S<2>,4|H<1>,6|C<3>}	121.0355	0.680	2	121.2497	0.864	90	121.5963	2.017	451	121.7133	2.120	588	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|S<3>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|S<3>,4|H<1>,6|C<3>}	119.9363	0.554	4	121.2497	0.864	90	121.5963	2.017	451	121.7133	2.120	588	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]N[6a])	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]N[6a]){1|S<2>,3|H<1>,6|C<3>}	121.9230	1.030	2	121.9230	1.060	2	121.5963	2.017	451	121.7133	2.120	588	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]N[6a]2)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,2|N<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]N[6a]2){1|S<2>,2|H<1>,6|C<3>}	121.4330	0.000	1	121.5545	0.030	2	121.5963	2.017	451	121.7133	2.120	588	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]N[6a]2)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,2|N<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|S<2>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]N[6a]2){1|S<2>,2|H<1>,6|C<3>}	121.6760	0.000	1	121.5545	0.030	2	121.5963	2.017	451	121.7133	2.120	588	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N[6])(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,2|O<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N[6])(H){1|H<1>,1|S<4>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|S<4>,4|H<1>,6|C<3>}	121.2730	0.000	1	121.2730	0.000	1	121.5963	2.017	451	121.7133	2.120	588	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]Se[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]Se[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|Se<2>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|Se<2>,4|H<1>,6|C<3>}	120.7220	0.366	2	120.7220	0.134	2	121.5963	2.017	451	121.7133	2.120	588	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C)(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C)(C[6a]C[6a]2){3|H<1>,6|C<3>}	120.2900	0.000	1	120.1165	0.060	2	119.8463	0.249	3	121.7133	2.120	588	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C)(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|O<2>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C)(C[6a]C[6a]2){3|H<1>,6|C<3>}	119.9430	0.000	1	120.1165	0.060	2	119.8463	0.249	3	121.7133	2.120	588	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]P[6])(N[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]P[6])(N[6]C[6a]C[6])(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2){1|C<4>,1|P<4>,3|H<1>,6|C<3>}	119.3060	0.000	1	119.3060	0.000	1	119.8463	0.249	3	121.7133	2.120	588	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,2|O<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]O){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	120.1290	0.000	1	120.1135	0.000	2	120.7987	0.596	8	121.7133	2.120	588	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]O){1|C<4>,4|C<3>,5|H<1>}	120.0980	0.000	1	120.1135	0.000	2	120.7987	0.596	8	121.7133	2.120	588	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]N[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<1>,2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]N[6a])(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	120.4160	0.055	2	120.4160	0.003	2	120.7987	0.596	8	121.7133	2.120	588	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|N<2>,2|C<4>,2|H<1>,4|C<3>}	120.9637	0.286	3	120.9637	0.082	3	120.7987	0.596	8	121.7133	2.120	588	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6a]C[6])(C[6a]C[6a]H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)(H){1|H<1>,1|O<2>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]O){1|O<2>,4|C<3>,5|H<1>}	122.4400	0.000	1	122.4400	0.000	1	120.7987	0.596	8	121.7133	2.120	588	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a,6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6])(H)	N[6](C[6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a,6a]H){1|C<4>,1|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6])(H){1|H<1>,1|N<3>,5|C<3>}	N[6](C[6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])2{2|H<1>,2|N<3>,7|C<3>}	121.4403	0.381	4	121.4403	0.145	4	122.5144	1.779	8	121.7133	2.120	588	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a,6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6])(H)	N[6](C[6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a,6a]H){1|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6])(H){1|H<1>,1|O<2>,5|C<3>}	N[6](C[6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])2{1|N<3>,1|O<2>,2|H<1>,7|C<3>}	123.5885	0.964	4	123.5885	0.930	4	122.5144	1.779	8	121.7133	2.120	588	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6,6a]C[6,6,6a]C[6,6a])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6,6a]C[6a])(CCHH)	C[6,6a](C[6,6,6a]C[6,6,6a]C[6,6a])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|H<1>,1|N<3>,4|C<3>}	C[6a](C[6,6a]C[6,6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6,6a]C[6a])(CCHH){2|H<1>,5|C<3>}	121.9515	0.090	2	121.9515	0.008	2	122.3896	2.741	5	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6,6a]C[6,6,6a]C[6,6a])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6,6a]C[6a])(CH3)	C[6,6a](C[6,6,6a]C[6,6,6a]C[6,6a])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6,6a]C[6a])(CH3){2|H<1>,5|C<3>}	121.3440	0.000	1	121.3440	0.000	1	122.3896	2.741	5	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CCHH)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|H<1>,1|N<3>,4|C<3>}	C[6a](C[6,6a]C[6,6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,3|C<3>}	N[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CCHH){2|H<1>,5|C<3>}	121.3970	0.000	1	123.3505	7.632	2	122.3896	2.741	5	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CCHH)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CCHH){1|C<4>,2|H<1>,4|C<3>}	125.3040	0.000	1	123.3505	7.632	2	122.3896	2.741	5	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:As[6]-3:C-4:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]As[6]C)	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a,6a]C[6a])(As[6]N[6]Cl)(CCCH)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]As[6]C){1|Cl<1>,1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a]H)(H){1|As<3>,1|C<4>,1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(As[6]N[6]Cl)(CCCH){1|C<4>,1|H<1>,3|C<3>}	120.2275	0.166	2	120.2275	0.028	2	120.2275	0.028	2	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]N[6])(CCCH)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C){1|H<1>,1|N<3>,4|C<3>}	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]N[6])(CCCH){1|C<4>,1|H<1>,2|N<3>,3|C<3>}	121.4045	0.660	2	121.4045	0.435	2	122.5123	1.308	59	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]N[6])(CC[6a]HH)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C){1|H<1>,1|N<3>,4|C<3>}	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]N[6])(CC[6a]HH){1|C<4>,1|H<1>,2|N<3>,3|C<3>}	123.3890	0.416	2	123.3890	0.173	2	122.5123	1.308	59	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]O)(CH3)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]O)(CH3){1|C<4>,1|H<1>,4|C<3>}	121.3580	0.000	1	121.0930	0.094	3	122.5123	1.308	59	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]O)(CH3)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]O)(CH3){1|H<1>,2|C<4>,3|C<3>}	120.9605	0.286	2	121.0930	0.094	3	122.5123	1.308	59	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6a]N[6])(CH3)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C){1|H<1>,1|N<3>,4|C<3>}	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6a]N[6])(CH3){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	122.2700	0.132	2	122.2700	0.017	2	122.5123	1.308	59	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]H)(CCCH)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	122.9988	0.394	4	122.9988	0.155	4	122.5123	1.308	59	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]H)(CC[6a]HH)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]H)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	122.7165	0.289	2	122.7165	0.084	2	122.5123	1.308	59	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]Ir)(CCCH)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C){1|Ir<6>,1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]Ir)(CCCH){1|H<1>,4|C<3>}	123.6825	0.144	2	123.6825	0.021	2	122.5123	1.308	59	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]Ir)(CC[6a]HH)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C){1|Ir<6>,1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]Ir)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	122.7270	0.000	1	122.7270	0.000	1	122.5123	1.308	59	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]Ir)(CH3)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C){1|Ir<6>,1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]Ir)(CH3){1|C<4>,1|H<1>,3|C<3>}	122.5290	0.000	1	122.2258	2.436	22	122.5123	1.308	59	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]Ir)(CH3)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C){1|Ir<6>,1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]Ir)(CH3){1|H<1>,4|C<3>}	122.2655	1.776	16	122.2258	2.436	22	122.5123	1.308	59	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]Ir)(CH3)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C){1|Ir<7>,1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]Ir)(CH3){1|H<1>,4|C<3>}	122.0382	0.944	5	122.2258	2.436	22	122.5123	1.308	59	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]Ir)(CHHO)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C){1|Ir<6>,1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]Ir)(CHHO){1|H<1>,4|C<3>}	123.1445	0.022	2	123.1445	0.000	2	122.5123	1.308	59	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]Ir)(CHHP)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C){1|Ir<4>,1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]Ir)(CHHP){1|C<4>,1|H<1>,3|C<3>}	123.5385	0.401	2	122.8665	0.357	6	122.5123	1.308	59	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]Ir)(CHHP)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C){1|Ir<6>,1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]Ir)(CHHP){1|C<4>,1|H<1>,3|C<3>}	122.5305	0.300	4	122.8665	0.357	6	122.5123	1.308	59	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]Os)(CHHP)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C){1|Os<6>,1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]Os)(CHHP){1|C<4>,1|H<1>,3|C<3>}	122.9435	1.330	2	122.9435	1.769	2	122.5123	1.308	59	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]Rh)(CH3)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C){1|Rh<6>,1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]Rh)(CH3){1|H<1>,4|C<3>}	122.8990	0.000	1	122.8990	0.000	1	122.5123	1.308	59	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]Rh)(CHHP)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C){1|Rh<4>,1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]Rh)(CHHP){1|C<4>,1|H<1>,3|C<3>}	122.2910	0.000	2	122.2910	0.000	2	122.5123	1.308	59	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]Ru)(CHHP)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C){1|Ru<6>,1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]Ru)(CHHP){1|C<4>,1|H<1>,3|C<3>}	122.9122	0.412	6	122.9122	0.170	6	122.5123	1.308	59	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a,6a]C[6,6,6a]C[6a,6a])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6,6a]C[6a])(CCHH)	C[6,6a](C[6,6a,6a]C[6,6,6a]C[6a,6a])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|H<1>,1|N<3>,4|C<3>}	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6,6a]C[6a])(CCHH){2|H<1>,5|C<3>}	121.6720	0.157	2	121.6720	0.025	2	121.9883	0.236	13	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a,6a]C[6,6,6a]C[6a,6a])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6,6a]C[6a])(CH3)	C[6,6a](C[6,6a,6a]C[6,6,6a]C[6a,6a])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|H<1>,1|N<3>,4|C<3>}	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6,6a]C[6a])(CH3){2|H<1>,5|C<3>}	121.4200	0.000	1	121.4200	0.000	1	121.9883	0.236	13	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[3x6a])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a,6a]N)(H)	N[6](C[6,6a]C[6,6a,6a]C[6a])2(CH3)	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[3x6a])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|N<3>,5|C<3>}	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a,6a]N)(H){1|C<4>,4|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])2(CH3){2|H<1>,5|C<3>}	121.5890	0.000	1	121.5890	0.000	1	121.9883	0.236	13	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a,6a]C[6a])2(CH3)	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])2(CH3){2|H<1>,5|C<3>}	121.1820	0.000	1	121.1820	0.000	1	121.9883	0.236	13	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CCHH)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|H<1>,1|N<3>,4|C<3>}	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CCHH){2|H<1>,5|C<3>}	122.4240	0.386	4	122.2891	0.107	8	121.9883	0.236	13	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CCHH)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|H<1>,1|N<3>,4|C<3>}	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CCHH){2|H<1>,5|C<3>}	122.1410	0.395	2	122.2891	0.107	8	121.9883	0.236	13	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CCHH)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|H<1>,1|N<3>,4|C<3>}	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,4|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CCHH){2|H<1>,5|C<3>}	122.1675	0.002	2	122.2891	0.107	8	121.9883	0.236	13	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(N[6]C[6]C)	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]N[6])(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCHH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(N[6]C[6]C){2|C<3>,2|H<1>,2|O<2>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]N[6])(H){1|O<2>,2|C<4>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCHH){1|H<1>,4|C<3>}	120.1955	1.092	2	120.1955	1.194	2	120.1955	1.194	2	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)(N[6]C[6,6a]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6,6a]N[6])(H)	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)(N[6]C[6,6a]C){1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6,6a]N[6])(H){1|C<4>,1|N<2>,1|N<3>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){2|H<1>,5|C<3>}	120.8397	0.419	3	120.9834	0.148	5	120.9834	0.148	5	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)(N[6]C[6,6a]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6,6a]N[6])(H)	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)(N[6]C[6,6a]C){1|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6,6a]N[6])(H){1|C<4>,1|N<3>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){2|H<1>,5|C<3>}	121.1990	0.294	2	120.9834	0.148	5	120.9834	0.148	5	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:Br-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(Br)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(N[6]C[6]C){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(Br){2|C<3>,3|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]HH){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	124.6080	0.000	1	124.6080	0.000	1	124.6080	0.000	1	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:F-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]B[6])(C[6a]C[6a]F)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]F)(F)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(CCCH)	C[6,6a](C[6,6a]C[6a]B[6])(C[6a]C[6a]F)(N[6]C[6]C){1|H<1>,1|N<3>,2|C<3>,3|F<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]F)(F){1|B<4>,1|C<4>,1|F<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(CCCH){1|B<4>,1|C<4>,1|F<1>,2|C<3>}	122.1660	0.522	4	122.1660	0.273	4	122.4853	0.452	6	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:F-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]F)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(F)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]F)(N[6]C[6]C){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(F){1|F<1>,2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3){1|C<4>,1|F<1>,1|H<1>,1|S<4>,2|C<3>}	122.7930	0.000	1	122.7930	0.000	1	122.4853	0.452	6	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:F-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]F)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N[6])(F)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCHH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]F)(N[6]C[6]C){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N[6])(F){1|F<1>,3|C<3>,3|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCHH){1|F<1>,4|C<3>}	123.4550	0.000	1	123.4550	0.000	1	122.4853	0.452	6	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6]C[5a,6]N[6,6])(C[6,6a]C[6,6a]C[6a])(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6]C[5a,6]N[6,6])(C[6,6a]C[6,6a]C[6a])(CH3){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	121.2840	0.556	3	121.2840	0.309	3	121.2840	0.309	3	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(CC[6a]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]C){1|C<3>,1|C<4>,1|N<2>,1|N<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(CC[6a]HH){1|H<1>,2|C<4>,4|C<3>}	119.3940	0.000	1	119.7730	0.881	4	119.7710	0.641	6	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(CC[6a]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]C){1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(CC[6a]HH){1|C<4>,1|H<1>,5|C<3>}	120.5340	0.185	2	119.7730	0.881	4	119.7710	0.641	6	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(CC[6a]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]C){1|C<3>,1|N<2>,2|H<1>,3|C<4>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(CC[6a]HH){1|H<1>,2|C<4>,4|C<3>}	118.6300	0.000	1	119.7730	0.881	4	119.7710	0.641	6	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]C){1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(CH3){1|C<4>,1|H<1>,5|C<3>}	119.7670	0.750	2	119.7670	0.562	2	119.7710	0.641	6	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-3:S-4:	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(N[6]C[5,6]S)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[3,5,6]N[5])(SC[6a]OO)	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(N[6]C[5,6]S){1|C<3>,1|N<2>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[3,5,6]N[5])(SC[6a]OO){1|H<1>,2|C<4>,4|C<3>}	121.2190	0.000	1	121.2190	0.000	1	121.2190	0.000	1	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-3:C-4:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(CH3)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]C){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(CH3){1|C<4>,2|H<1>,4|C<3>}	121.4550	0.000	1	121.4550	0.000	1	121.2505	0.084	2	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-3:C-4:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6,6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6])(CH3)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6,6]C){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6])(CH3){1|C<4>,1|S<2>,2|H<1>,3|C<3>}	121.0460	0.000	1	121.0460	0.000	1	121.2505	0.084	2	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:B-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]B)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(BC[6a]3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]B){2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(BC[6a]3){2|H<1>,3|C<3>}	121.8780	0.000	1	121.8780	0.000	1	121.8470	0.002	2	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:B-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]B)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(BN3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]B){2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(BN3){2|H<1>,3|C<3>}	121.8160	0.000	1	121.8160	0.000	1	121.8470	0.002	2	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,5,6]O)(CCHH)	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,5,6]O)(CCHH){1|H<1>,2|C<4>,3|C<3>}	120.0520	0.000	1	120.0520	0.000	1	121.2006	1.051	270	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]O)(CCHH)	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]O)(CCHH){1|H<1>,2|C<4>,3|C<3>}	119.8050	0.421	2	119.8050	0.178	2	121.2006	1.051	270	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]O)(CH3)	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]O)(CH3){1|H<1>,2|C<3>,3|C<4>}	119.8603	0.524	4	119.8603	0.275	4	121.2006	1.051	270	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[4,6]O)(CC[6a]HH)	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|Cl<1>,2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[4,6]O)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	120.6050	0.000	1	120.6050	0.000	1	121.2006	1.051	270	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(CH3)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|Fe<10>,1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(CH3){1|Fe<10>,1|H<1>,2|C<3>,2|C<4>}	120.1980	0.042	2	120.1980	0.002	2	121.2006	1.051	270	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(CH3)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(CH3){1|H<1>,2|C<3>,3|C<4>}	120.2640	0.000	1	120.1926	0.388	7	121.2006	1.051	270	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(CH3)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(CH3){1|C<4>,1|H<1>,4|C<3>}	120.7520	0.000	1	120.1926	0.388	7	121.2006	1.051	270	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(CH3)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(CH3){1|H<1>,2|C<4>,3|C<3>}	120.4375	0.350	2	120.1926	0.388	7	121.2006	1.051	270	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(CH3)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){2|C<4>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(CH3){1|H<1>,2|C<4>,3|C<3>}	120.7370	0.000	1	120.1926	0.388	7	121.2006	1.051	270	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(CH3)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(CH3){1|H<1>,2|C<3>,3|C<4>}	119.3600	0.288	2	120.1926	0.388	7	121.2006	1.051	270	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]HH)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]HH){2|C<3>,2|C<4>,2|H<1>}	120.8570	0.000	1	120.8570	0.000	1	121.2006	1.051	270	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]O)(CC[6a]HH)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|Cl<1>,2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]O)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	119.9700	0.980	2	120.6010	0.851	4	121.2006	1.051	270	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]O)(CC[6a]HH)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|Cl<1>,2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	121.2320	0.000	2	120.6010	0.851	4	121.2006	1.051	270	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]H)(CC[6a]HH)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|H<1>,1|N<3>,2|C<3>,2|O<2>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]H)(CC[6a]HH){1|H<1>,4|C<3>}	120.2300	0.000	1	120.2300	0.000	1	121.2006	1.051	270	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)(CC[6a]HH)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)(CC[6a]HH){1|H<1>,2|C<4>,3|C<3>}	120.6820	0.000	1	120.6820	0.000	1	121.2006	1.051	270	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)(CH3)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|O<2>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)(CH3){1|Cl<1>,1|H<1>,2|C<3>,2|C<4>}	121.2760	0.000	1	120.5930	1.006	8	121.2006	1.051	270	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)(CH3)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)(CH3){1|C<4>,1|H<1>,4|C<3>}	121.0090	0.000	1	120.5930	1.006	8	121.2006	1.051	270	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)(CH3)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)(CH3){1|H<1>,2|C<4>,3|C<3>}	120.4412	1.242	5	120.5930	1.006	8	121.2006	1.051	270	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)(CH3)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){2|C<4>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)(CH3){1|H<1>,2|C<4>,3|C<3>}	120.2530	0.000	1	120.5930	1.006	8	121.2006	1.051	270	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	119.8320	0.000	1	119.8320	0.000	1	121.2006	1.051	270	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]O)(CC[6a]HH)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|Cl<1>,2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]O)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	120.7340	0.000	1	120.7340	0.000	1	121.2006	1.051	270	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6,6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCHH)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|Ir<8>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6,6a]H)(H){1|C<4>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCHH){2|H<1>,3|C<3>}	122.3750	0.000	1	122.3750	0.000	1	121.2006	1.051	270	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6,6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC[6a]HH)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6,6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC[6a]HH){2|H<1>,3|C<3>}	120.3325	0.395	2	120.3325	0.156	2	121.2006	1.051	270	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6,6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|N<2>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6,6a]H)(H){1|C<4>,1|O<2>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){2|H<1>,3|C<3>}	121.6775	0.105	2	122.1096	0.981	11	121.2006	1.051	270	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6,6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|Os<6>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6,6a]H)(H){1|C<4>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){2|H<1>,3|C<3>}	122.3129	1.103	8	122.1096	0.981	11	121.2006	1.051	270	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6,6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6,6a]H)(H){1|C<4>,1|O<2>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){2|H<1>,3|C<3>}	121.3480	0.000	1	122.1096	0.981	11	121.2006	1.051	270	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C)(CH3)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C)(CH3){1|H<1>,4|C<3>}	121.6180	0.000	1	121.6180	0.000	1	121.2006	1.051	270	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]H)(CCHH)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]H)(CCHH){1|H<1>,1|N<2>,3|C<3>}	120.7915	1.098	2	120.7470	0.609	3	121.2006	1.051	270	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]H)(CCHH)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]H)(CCHH){1|H<1>,4|C<3>}	120.6580	0.000	1	120.7470	0.609	3	121.2006	1.051	270	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]H)(CH3)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]H)(CH3){1|H<1>,4|C<3>}	120.1520	0.376	2	120.1520	0.142	2	121.2006	1.051	270	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6a]O)(CH3)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6a]O)(CH3){1|H<1>,4|C<3>}	120.5220	0.000	1	120.5220	0.000	1	121.2006	1.051	270	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]H)(CCHH)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]H)(N[6]C[6]C){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]H)(CCHH){1|H<1>,1|N<2>,3|C<3>}	120.7750	0.000	1	120.7750	0.000	1	121.2006	1.051	270	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a,6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC[6a]HH)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a,6a]H)(H){1|C<4>,1|N<2>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC[6a]HH){2|H<1>,3|C<3>}	120.2870	0.000	1	120.2870	0.000	1	121.2006	1.051	270	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Cl)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|Cl<1>,1|Pd<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){2|H<1>,3|C<3>}	120.4250	0.000	1	120.4250	0.000	1	121.2006	1.051	270	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]F)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,1|F<1>,1|O<1>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]F)(H){1|F<1>,2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]HH){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	119.9760	0.000	1	119.9760	0.000	1	121.2006	1.051	270	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(CCHH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(CCHH){1|C<4>,1|H<1>,4|C<3>}	120.9230	0.000	1	120.9230	0.000	1	121.2006	1.051	270	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(CH3){1|H<1>,5|C<3>}	119.5860	0.601	2	119.5860	0.361	2	121.2006	1.051	270	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCHH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<2>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCHH){2|H<1>,3|C<3>}	121.6500	0.000	1	121.2007	1.415	7	121.2006	1.051	270	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCHH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCHH){2|H<1>,3|C<3>}	121.1285	0.366	2	121.2007	1.415	7	121.2006	1.051	270	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCHH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCHH){2|H<1>,3|C<3>}	118.7380	0.000	1	121.2007	1.415	7	121.2006	1.051	270	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCHH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCHH){2|H<1>,3|C<3>}	121.5790	0.000	1	121.2007	1.415	7	121.2006	1.051	270	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCHH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCHH){2|H<1>,3|C<3>}	122.5100	0.000	1	121.2007	1.415	7	121.2006	1.051	270	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCHH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCHH){2|H<1>,3|C<3>}	121.6710	0.000	1	121.2007	1.415	7	121.2006	1.051	270	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CC[6a]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	121.5810	0.000	1	121.5810	0.000	1	121.2006	1.051	270	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3){2|H<1>,3|C<3>}	120.5240	0.000	1	121.5280	0.664	30	121.2006	1.051	270	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3){1|H<1>,4|C<3>}	120.8450	0.000	1	121.5280	0.664	30	121.2006	1.051	270	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3){2|H<1>,3|C<3>}	119.9340	0.000	1	121.5280	0.664	30	121.2006	1.051	270	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3){2|H<1>,3|C<3>}	121.6495	0.756	27	121.5280	0.664	30	121.2006	1.051	270	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCCH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|B<3>,2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCCH){1|C<4>,2|C<3>,2|H<1>}	121.9340	0.000	1	121.9340	0.000	1	121.2006	1.051	270	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCHH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCHH){2|H<1>,3|C<3>}	120.7630	0.000	1	121.5101	0.509	22	121.2006	1.051	270	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCHH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCHH){2|H<1>,3|C<3>}	121.8249	0.419	14	121.5101	0.509	22	121.2006	1.051	270	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCHH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCHH){2|H<1>,3|C<3>}	121.9775	0.131	2	121.5101	0.509	22	121.2006	1.051	270	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCHH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCHH){2|H<1>,3|C<3>}	120.5914	0.669	5	121.5101	0.509	22	121.2006	1.051	270	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC[6a]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	121.6410	0.028	2	121.8605	0.746	17	121.2006	1.051	270	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC[6a]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	122.1460	0.000	1	121.8605	0.746	17	121.2006	1.051	270	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC[6a]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC[6a]HH){2|H<1>,3|C<3>}	121.8715	0.951	14	121.8605	0.746	17	121.2006	1.051	270	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){2|H<1>,3|C<3>}	120.7082	0.522	4	121.2673	0.384	25	121.2006	1.051	270	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){2|H<1>,3|C<3>}	121.0790	0.000	1	121.2673	0.384	25	121.2006	1.051	270	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){2|H<1>,3|C<3>}	121.0700	0.348	3	121.2673	0.384	25	121.2006	1.051	270	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|B<3>,1|H<1>,3|C<3>}	121.4950	0.000	1	121.2673	0.384	25	121.2006	1.051	270	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|C<2>,1|H<1>,3|C<3>}	121.4503	0.166	3	121.2673	0.384	25	121.2006	1.051	270	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|H<1>,1|N<3>,3|C<3>}	121.7640	0.281	3	121.2673	0.384	25	121.2006	1.051	270	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|H<1>,4|C<3>}	121.5430	0.000	1	121.2673	0.384	25	121.2006	1.051	270	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){2|H<1>,3|C<3>}	121.8640	0.735	3	121.2673	0.384	25	121.2006	1.051	270	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){2|H<1>,3|C<3>}	121.9600	0.000	1	121.2673	0.384	25	121.2006	1.051	270	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){2|H<1>,3|C<3>}	121.6650	0.055	2	121.2673	0.384	25	121.2006	1.051	270	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){2|H<1>,3|C<3>}	120.3327	0.065	3	121.2673	0.384	25	121.2006	1.051	270	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(CCCH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){2|C<4>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(CCCH){1|H<1>,4|C<3>}	123.2300	0.000	1	123.2300	0.000	1	121.2006	1.051	270	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]HH){1|H<1>,2|C<4>,3|C<3>}	121.1510	0.000	1	121.1510	0.000	1	121.2006	1.051	270	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	119.6585	0.028	2	120.5490	0.868	10	121.2006	1.051	270	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	120.6750	0.000	1	120.5490	0.868	10	121.2006	1.051	270	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3){1|C<4>,2|C<3>,3|H<1>}	119.4270	0.000	1	120.5490	0.868	10	121.2006	1.051	270	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3){1|H<1>,1|S<4>,2|C<3>,2|C<4>}	121.5230	0.000	1	120.5490	0.868	10	121.2006	1.051	270	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3){2|C<3>,2|C<4>,2|H<1>}	120.9120	0.000	1	120.5490	0.868	10	121.2006	1.051	270	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3){1|H<1>,2|C<4>,3|C<3>}	122.4140	0.000	1	120.5490	0.868	10	121.2006	1.051	270	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3){1|C<4>,1|H<1>,2|C<3>,2|F<1>}	119.9510	0.000	1	120.5490	0.868	10	121.2006	1.051	270	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.5490	0.000	1	120.5490	0.868	10	121.2006	1.051	270	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3){2|C<3>,2|C<4>,2|H<1>}	120.7220	0.000	1	120.5490	0.868	10	121.2006	1.051	270	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(CCHH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(CCHH){1|C<4>,1|H<1>,5|C<3>}	123.0580	0.061	2	123.0580	0.004	2	121.2006	1.051	270	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|N<2>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(CH3){1|C<4>,1|H<1>,4|C<3>}	121.8730	0.000	1	121.8730	0.000	1	121.2006	1.051	270	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(CCCH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|N<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	122.2600	0.000	1	122.2600	0.000	1	121.2006	1.051	270	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]Ir)(CC[6a]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|Ir<6>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]Ir)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	121.8665	1.351	2	121.8665	1.826	2	121.2006	1.051	270	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CC[6a]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|Cl<1>,2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CC[6a]HH){1|C<4>,2|C<3>,2|H<1>}	121.5065	0.671	2	121.1178	0.247	6	121.2006	1.051	270	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CC[6a]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|P<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|Cl<1>,2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CC[6a]HH){1|C<4>,2|C<3>,2|H<1>}	121.3450	0.000	1	121.1178	0.247	6	121.2006	1.051	270	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CC[6a]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|Cl<1>,2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CC[6a]HH){1|C<4>,2|C<3>,2|H<1>}	120.7560	0.000	1	121.1178	0.247	6	121.2006	1.051	270	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CC[6a]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|Cl<1>,2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CC[6a]HH){1|C<4>,2|C<3>,2|H<1>}	120.7965	0.302	2	121.1178	0.247	6	121.2006	1.051	270	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]Rh)(CCCH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|Rh<6>,1|C<3>,1|N<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]Rh)(CCCH){1|H<1>,2|C<3>,2|C<4>}	123.0870	0.000	1	123.0870	0.000	1	121.2006	1.051	270	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]Rh)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|Rh<6>,1|C<3>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]Rh)(CH3){1|C<4>,1|H<1>,3|C<3>}	121.7213	0.613	3	121.7213	0.376	3	121.2006	1.051	270	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|Cl<1>,2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(CH3){1|C<4>,1|H<1>,2|C<3>}	120.4820	0.000	1	120.4820	0.000	1	121.2006	1.051	270	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N[6])(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCHH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N[6])(H){1|F<1>,3|C<3>,3|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCHH){1|H<1>,4|C<3>}	120.6426	1.444	18	120.6426	2.087	18	121.2006	1.051	270	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Pd)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|Pd<4>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Pd)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3){2|H<1>,3|C<3>}	121.2240	0.000	1	121.2240	0.000	1	121.2006	1.051	270	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(CH3)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(CH3){1|H<1>,1|N<3>,4|C<3>}	122.3070	0.000	1	122.3070	0.000	1	121.2006	1.051	270	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCHH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C){2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCHH){1|H<1>,1|N<2>,3|C<3>}	122.4590	0.000	1	122.4590	0.000	1	121.2006	1.051	270	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC[6a]HH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C){2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC[6a]HH){1|H<1>,1|N<2>,3|C<3>}	122.9680	0.000	2	122.9680	0.000	2	121.2006	1.051	270	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C){1|Cd<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|H<1>,1|N<3>,3|C<3>}	121.7630	0.136	2	121.8864	0.022	5	121.2006	1.051	270	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C){2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|H<1>,1|N<2>,3|C<3>}	121.9495	0.129	2	121.8864	0.022	5	121.2006	1.051	270	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C){2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|H<1>,1|N<3>,3|C<3>}	122.0070	0.000	1	121.8864	0.022	5	121.2006	1.051	270	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C){1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH){1|H<1>,1|N<3>,3|C<3>}	122.7775	0.544	2	122.7775	0.296	2	121.2006	1.051	270	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]HH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C){1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]HH){1|H<1>,1|N<3>,3|C<3>}	122.7420	0.000	1	122.7420	0.000	1	121.2006	1.051	270	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.8880	0.000	1	121.6125	1.050	2	121.2006	1.051	270	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C){1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3){1|H<1>,1|N<3>,3|C<3>}	122.3370	0.000	1	121.6125	1.050	2	121.2006	1.051	270	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]HH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]HH){1|O<2>,2|C<3>,3|H<1>}	122.6080	0.000	1	122.6080	0.000	1	121.2006	1.051	270	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|O<2>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	123.1680	0.000	1	122.6327	0.215	3	121.2006	1.051	270	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH){1|O<2>,2|C<3>,3|H<1>}	122.3740	0.000	1	122.6327	0.215	3	121.2006	1.051	270	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|O<2>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH){1|O<2>,2|C<3>,3|H<1>}	122.3560	0.000	1	122.6327	0.215	3	121.2006	1.051	270	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]HH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|O<2>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]HH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	122.6020	0.000	1	122.6020	0.000	1	121.2006	1.051	270	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(H){1|C<4>,1|F<1>,1|O<2>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	122.0510	0.000	1	121.9117	0.039	3	121.2006	1.051	270	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(H){1|C<4>,1|F<1>,1|O<2>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH){1|O<2>,2|C<3>,3|H<1>}	121.8420	0.219	2	121.9117	0.039	3	121.2006	1.051	270	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]HH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]HH){1|O<2>,2|C<3>,3|H<1>}	122.3030	0.000	1	122.3030	0.000	1	121.2006	1.051	270	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N[5])(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N[5])(H){1|C<4>,1|F<1>,1|O<2>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH){1|O<2>,2|C<3>,3|H<1>}	121.8767	0.704	3	121.8767	0.496	3	121.2006	1.051	270	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]C){2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|H<1>,1|S<2>,3|C<3>}	121.0580	0.000	1	121.0580	0.000	1	121.2006	1.051	270	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH){1|S<2>,2|C<3>,3|H<1>}	120.6432	0.338	4	120.6907	0.092	15	121.2006	1.051	270	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]C){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH){1|H<1>,1|S<2>,3|C<3>}	120.7080	0.306	11	120.6907	0.092	15	121.2006	1.051	270	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[5]HH)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[5]HH){1|S<2>,2|C<3>,3|H<1>}	120.6260	0.000	1	120.6260	0.000	1	121.2006	1.051	270	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[5a]HH)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[5a]HH){1|S<2>,2|C<3>,3|H<1>}	120.1806	0.229	5	120.3803	0.281	6	121.2006	1.051	270	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[5a]HH)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]C){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[5a]HH){1|H<1>,1|S<2>,3|C<3>}	121.3790	0.000	1	120.3803	0.281	6	121.2006	1.051	270	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]HH)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]HH){1|S<2>,2|C<3>,3|H<1>}	120.0540	0.000	1	120.2727	0.050	3	121.2006	1.051	270	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]HH)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]C){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]HH){1|H<1>,1|S<2>,3|C<3>}	120.3820	0.167	2	120.2727	0.050	3	121.2006	1.051	270	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<2>,1|C<4>,1|S<2>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3){1|S<2>,2|C<3>,3|H<1>}	120.1940	0.034	2	120.3015	0.113	4	121.2006	1.051	270	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3){1|S<2>,2|C<3>,3|H<1>}	120.0270	0.000	1	120.3015	0.113	4	121.2006	1.051	270	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]C){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3){1|H<1>,1|S<2>,3|C<3>}	120.7910	0.000	1	120.3015	0.113	4	121.2006	1.051	270	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]Se[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(CH3)	C[6,6a](C[6,6a]C[6a]Se[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|Se<2>,1|C<4>,1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(CH3){2|Se<2>,1|H<1>,1|N<3>,2|C<3>}	119.5640	0.000	1	119.5640	0.000	1	121.2006	1.051	270	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]O)(C[6]C[6]2H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|O<2>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]O)(C[6]C[6]2H){1|O<2>,2|C<3>,4|C<4>,5|H<1>}	123.7110	0.000	1	123.7110	0.000	1	123.7110	0.000	1	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:S-4:	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(SC[6a]OO)	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(SC[6a]OO){1|H<1>,2|C<3>,3|C<4>}	123.0037	0.803	3	123.0037	0.644	3	121.5909	1.454	27	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:S-4:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(SC[6a]OO)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(SC[6a]OO){2|C<3>,2|C<4>,2|H<1>}	122.3590	0.000	1	121.3520	0.313	8	121.5909	1.454	27	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:S-4:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(SC[6a]OO)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(SC[6a]OO){1|H<1>,2|C<3>,3|C<4>}	120.7040	0.000	1	121.3520	0.313	8	121.5909	1.454	27	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:S-4:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(SC[6a]OO)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|S<4>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(SC[6a]OO){1|H<1>,2|C<4>,3|C<3>}	121.3165	0.506	2	121.3520	0.313	8	121.5909	1.454	27	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:S-4:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(SC[6a]OO)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(SC[6a]OO){1|H<1>,2|C<4>,3|C<3>}	121.2800	0.401	4	121.3520	0.313	8	121.5909	1.454	27	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:S-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(SC[6a]OO){1|C<4>,2|H<1>,3|C<3>}	122.2030	0.000	1	122.2030	0.000	1	121.5909	1.454	27	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:S-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(SC[6a]OO){1|C<4>,2|H<1>,3|C<3>}	121.7750	0.000	1	122.1405	0.252	6	121.5909	1.454	27	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:S-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|S<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(SC[6a]OO){1|C<4>,2|H<1>,3|C<3>}	122.6820	0.000	1	122.1405	0.252	6	121.5909	1.454	27	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:S-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(SC[6a]OO){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	122.8240	0.000	1	122.1405	0.252	6	121.5909	1.454	27	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:S-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(SC[6a]OO){1|H<1>,2|C<4>,3|C<3>}	121.6710	0.000	1	122.1405	0.252	6	121.5909	1.454	27	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:S-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(SC[6a]OO){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	121.9455	0.262	2	122.1405	0.252	6	121.5909	1.454	27	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:S-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(SC[6a]OO){1|C<4>,1|H<1>,5|C<3>}	121.7850	0.000	1	121.7850	0.000	1	121.5909	1.454	27	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:S-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(SC[6a]OO){1|H<1>,3|C<3>}	122.4650	0.000	1	122.4650	0.000	1	121.5909	1.454	27	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:S-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	122.8790	0.000	2	122.8790	0.000	2	121.5909	1.454	27	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:S-4:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|S<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(SC[6a]OO){1|N<3>,2|C<3>,3|H<1>}	119.6144	0.440	5	119.6144	0.193	5	121.5909	1.454	27	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(N[6]C[6,6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6])(H)	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(N[6]C[6,6a]C){1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6])(H){1|C<4>,1|N<2>,1|N<3>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){2|H<1>,5|C<3>}	121.7080	0.000	1	121.7080	0.000	1	123.2233	0.576	9	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(N[6]C[6,6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6])(H)	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(N[6]C[6,6a]C){1|H<1>,1|N<3>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6])(H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){1|N<3>,2|H<1>,4|C<3>}	124.0640	0.105	2	123.4128	0.290	8	123.2233	0.576	9	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(N[6]C[6,6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6])(H)	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(N[6]C[6,6a]C){1|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6])(H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){1|N<3>,2|H<1>,4|C<3>}	123.0500	0.250	5	123.4128	0.290	8	123.2233	0.576	9	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(N[6]C[6,6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6])(H)	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(N[6]C[6,6a]C){2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6])(H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){1|N<3>,2|H<1>,4|C<3>}	123.9240	0.000	1	123.4128	0.290	8	123.2233	0.576	9	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:F-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]F)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(F)	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]F){1|F<1>,1|N<3>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(F){1|C<4>,1|F<1>,1|S<2>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){1|F<1>,1|H<1>,1|S<2>,4|C<3>}	122.9870	0.000	1	122.9870	0.000	1	122.9870	0.000	1	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[5a,6]C)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(CH3){1|C<4>,1|H<1>,5|C<3>}	121.0420	0.000	1	121.0420	0.000	1	121.4040	0.262	2	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])(CH3)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[5a,6]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])(CH3){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	121.7660	0.000	1	121.7660	0.000	1	121.4040	0.262	2	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[6,6a]-3:S-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[5a,6]S)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[5a,6]S)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	N[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(SC[6a]OO){1|C<4>,2|H<1>,4|C<3>}	118.9610	0.000	1	118.9610	0.000	1	118.9610	0.000	1	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:B-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]B)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(BCl3)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]B)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(BCl3){2|H<1>,5|C<3>}	121.9315	0.278	2	121.9315	0.077	2	121.9572	0.403	10	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:B-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]B)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(BN[6]Cl2)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]B)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(BN[6]Cl2){2|H<1>,5|C<3>}	121.9636	0.712	8	121.9636	0.507	8	121.9572	0.403	10	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(CH3)	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])2(CH3){1|C<4>,2|H<1>,4|C<3>}	121.2130	0.489	4	121.2130	0.239	4	121.5339	1.025	437	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6,6]C[6a])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CCHH)	C[6,6a](C[6,6a]C[6,6]C[6a])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CCHH){1|H<1>,1|O<2>,5|C<3>}	121.1170	0.000	1	120.7305	0.299	2	121.5339	1.025	437	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6,6]C[6a])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CCHH)	C[6,6a](C[6,6a]C[6,6]C[6a])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CCHH){2|H<1>,5|C<3>}	120.3440	0.000	1	120.7305	0.299	2	121.5339	1.025	437	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6,6]C[6a])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(CH3)	C[6,6a](C[6,6a]C[6,6]C[6a])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])2(CH3){1|C<4>,2|H<1>,4|C<3>}	120.1495	0.088	2	120.1495	0.008	2	121.5339	1.025	437	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CCHH)	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CCHH){1|H<1>,1|N<3>,5|C<3>}	119.5692	0.094	4	120.4334	0.460	13	121.5339	1.025	437	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CCHH)	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CCHH){1|H<1>,1|O<2>,5|C<3>}	121.2260	0.000	1	120.4334	0.460	13	121.5339	1.025	437	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CCHH)	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CCHH){2|H<1>,5|C<3>}	120.6232	0.296	6	120.4334	0.460	13	121.5339	1.025	437	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CCHH)	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CCHH){2|H<1>,5|C<3>}	121.1960	0.243	2	120.4334	0.460	13	121.5339	1.025	437	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a,6a]C[6,6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a,6a]H)(H)	N[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CCHH)	C[6,6a](C[6,6a]C[6a,6a]C[6,6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a,6a]H)(H){2|C<4>,3|C<3>}	N[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CCHH){1|C<4>,2|H<1>,4|C<3>}	120.2510	0.000	1	120.2510	0.000	1	121.5339	1.025	437	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a,6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a,6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	C[6,6a](C[6,6a]C[6a,6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a,6a]H)(H){1|C<4>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){2|H<1>,5|C<3>}	119.9140	0.000	1	119.9140	0.000	1	121.5339	1.025	437	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(CCHH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|N<2>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(CCHH){1|H<1>,5|C<3>}	121.5820	0.000	1	121.5820	0.000	1	121.5339	1.025	437	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){2|H<1>,5|C<3>}	120.3986	0.502	5	120.7146	0.199	17	121.5339	1.025	437	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){2|H<1>,5|C<3>}	120.9410	0.541	3	120.7146	0.199	17	121.5339	1.025	437	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){2|H<1>,5|C<3>}	120.3020	0.000	1	120.7146	0.199	17	121.5339	1.025	437	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<2>,1|C<4>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){2|H<1>,5|C<3>}	120.8320	0.096	2	120.7146	0.199	17	121.5339	1.025	437	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){2|H<1>,5|C<3>}	120.8943	0.326	6	120.7146	0.199	17	121.5339	1.025	437	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(CC[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(CC[6]HH){2|H<1>,5|C<3>}	120.1090	0.057	2	120.1090	0.003	2	121.5339	1.025	437	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(CH3){2|H<1>,5|C<3>}	121.2163	0.625	4	121.3552	0.504	172	121.5339	1.025	437	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])2(CH3){1|C<4>,2|H<1>,4|C<3>}	122.2180	0.000	1	121.3552	0.504	172	121.5339	1.025	437	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){2|C<3>,3|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])2(CH3){1|C<4>,2|H<1>,4|C<3>}	122.1900	0.229	6	121.3552	0.504	172	121.5339	1.025	437	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])2(CH3){1|C<4>,2|H<1>,4|C<3>}	121.5860	0.112	2	121.3552	0.504	172	121.5339	1.025	437	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(CH3){2|H<1>,5|C<3>}	121.3191	0.710	153	121.3552	0.504	172	121.5339	1.025	437	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(CH3){2|H<1>,5|C<3>}	121.9850	0.595	2	121.3552	0.504	172	121.5339	1.025	437	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])2(CH3){1|C<4>,2|H<1>,4|C<3>}	120.9765	0.577	4	121.3552	0.504	172	121.5339	1.025	437	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){2|H<1>,5|C<3>}	121.7287	0.320	6	121.7287	0.102	6	121.5339	1.025	437	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(CH3)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)(H){1|N<2>,2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(CH3){1|N<2>,2|H<1>,4|C<3>}	123.1940	0.688	4	123.1940	0.474	4	121.5339	1.025	437	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(CCHH)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(CCHH){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	121.1612	0.207	4	121.1612	0.043	4	121.5339	1.025	437	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(CH3)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(CH3){1|N<2>,2|H<1>,4|C<3>}	122.7920	0.303	4	122.6633	0.105	8	121.5339	1.025	437	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(CH3)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(CH3){1|N<3>,2|H<1>,4|C<3>}	122.5345	0.331	4	122.6633	0.105	8	121.5339	1.025	437	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){1|O<2>,2|H<1>,4|C<3>}	124.2275	0.175	2	124.4595	0.084	4	121.5339	1.025	437	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){1|O<2>,2|H<1>,4|C<3>}	124.6915	0.073	2	124.4595	0.084	4	121.5339	1.025	437	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(CIrNN)	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(CIrNN){1|O<2>,2|H<1>,4|C<3>}	122.0905	0.230	2	122.0905	0.053	2	121.5339	1.025	437	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){1|S<2>,2|H<1>,4|C<3>}	122.4400	0.569	2	122.4400	0.323	2	121.5339	1.025	437	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(CCHH)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(CCHH){1|H<1>,1|S<2>,4|C<3>}	121.7380	0.000	1	121.7380	0.000	1	121.5339	1.025	437	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<3>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){1|S<3>,2|H<1>,4|C<3>}	120.9320	0.350	4	121.8803	0.955	156	121.5339	1.025	437	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,2|O<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){1|S<4>,2|H<1>,4|C<3>}	121.7637	0.599	21	121.8803	0.955	156	121.5339	1.025	437	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<2>,1|C<4>,1|S<2>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){1|S<2>,2|H<1>,4|C<3>}	121.0760	0.000	1	121.8803	0.955	156	121.5339	1.025	437	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){1|C<2>,1|H<1>,1|S<2>,4|C<3>}	121.1975	0.241	2	121.8803	0.955	156	121.5339	1.025	437	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){1|F<1>,1|H<1>,1|S<2>,4|C<3>}	121.5800	0.000	1	121.8803	0.955	156	121.5339	1.025	437	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){1|S<2>,2|H<1>,4|C<3>}	121.8392	0.945	71	121.8803	0.955	156	121.5339	1.025	437	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,1|S<2>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){1|S<2>,2|H<1>,4|C<3>}	121.8030	0.000	1	121.8803	0.955	156	121.5339	1.025	437	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,1|S<2>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){1|S<2>,2|H<1>,4|C<3>}	121.7627	1.779	4	121.8803	0.955	156	121.5339	1.025	437	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|S<2>,1|S<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){1|S<2>,2|H<1>,4|C<3>}	122.1445	0.159	2	121.8803	0.955	156	121.5339	1.025	437	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|S<2>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){1|S<2>,2|H<1>,4|C<3>}	122.1509	1.124	43	121.8803	0.955	156	121.5339	1.025	437	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|S<2>,2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){1|S<2>,2|H<1>,4|C<3>}	121.8833	1.124	6	121.8803	0.955	156	121.5339	1.025	437	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(CC[6]HH)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(CC[6]HH){1|S<2>,2|H<1>,4|C<3>}	122.8560	0.014	2	122.8560	0.000	2	121.5339	1.025	437	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]HH)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]HH){1|S<2>,2|H<1>,4|C<3>}	121.8230	0.496	8	121.8230	0.246	8	121.5339	1.025	437	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(CH3)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,2|O<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(CH3){1|S<4>,2|H<1>,4|C<3>}	121.8155	0.117	2	121.5295	0.861	15	121.5339	1.025	437	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(CH3)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(CH3){1|H<1>,1|S<2>,5|C<3>}	120.9760	0.000	1	121.5295	0.861	15	121.5339	1.025	437	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(CH3)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(CH3){1|S<2>,2|H<1>,4|C<3>}	121.9210	0.042	2	121.5295	0.861	15	121.5339	1.025	437	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(CH3)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,1|S<2>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(CH3){1|S<2>,2|H<1>,4|C<3>}	121.2224	1.122	8	121.5295	0.861	15	121.5339	1.025	437	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(CH3)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|P<4>,1|S<2>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(CH3){1|S<2>,2|H<1>,4|C<3>}	122.7630	0.000	1	121.5295	0.861	15	121.5339	1.025	437	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(CH3)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|S<2>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(CH3){1|S<2>,2|H<1>,4|C<3>}	121.9520	0.000	1	121.5295	0.861	15	121.5339	1.025	437	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(CIrNN)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(CIrNN){1|S<2>,2|H<1>,4|C<3>}	119.8355	1.023	2	119.8355	1.047	2	121.5339	1.025	437	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){1|S<2>,2|H<1>,4|C<3>}	121.7690	0.000	1	121.7690	0.000	1	121.5339	1.025	437	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]H)(H){1|C<4>,1|S<2>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){1|N<2>,1|S<2>,2|H<1>,3|C<3>}	122.9860	0.000	1	122.9860	0.000	1	121.5339	1.025	437	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]Si[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(CH3)	C[6,6a](C[6,6a]C[6a]Si[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|Pt<4>,1|Pt<5>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|Br<1>,1|Si<4>,1|C<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(CH3){1|Si<4>,2|H<1>,4|C<3>}	118.6360	0.034	2	118.6360	0.001	2	121.5339	1.025	437	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]Si[6,6]C[6a])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]HH)	C[6,6a](C[6,6a]Si[6,6]C[6a])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|Si<4>,1|C<4>,1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]HH){1|Si<4>,2|H<1>,4|C<3>}	118.7182	0.356	4	118.7182	0.127	4	121.5339	1.025	437	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[5]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[5])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[5]C[5]2H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[5])(C[6a]C[6a]H){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[5]C[5]2H){1|O<2>,2|C<4>,5|C<3>,5|H<1>}	119.8770	0.601	2	119.8770	0.361	2	119.8770	0.361	2	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:Ga[5]-4:	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]Ga[5])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(Ga[5]N[5]2O[5])	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]Ga[5])(C[6a]C[6a]H){1|Ga<4>,1|O<3>,2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|Ga<4>,1|H<1>,1|N<3>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(Ga[5]N[5]2O[5]){1|N<3>,2|C<4>,2|H<1>,8|C<3>}	120.9045	0.602	2	120.9045	0.362	2	120.9045	0.362	2	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C[3]-4:	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6]C[3]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Cl)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]H)(C[3]C[3]2H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6]C[3]C[6])(C[6a]C[6a]H){1|Cl<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Cl)(H){1|C<4>,1|F<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]H)(C[3]C[3]2H){4|C<3>,5|H<1>}	120.8720	0.000	1	120.8720	0.000	1	120.2985	0.658	2	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C[3]-4:	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6]C[3]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]H)(C[3]C[3]2H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6]C[3]C[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]H)(C[3]C[3]2H){4|C<3>,5|H<1>}	119.7250	0.000	1	119.7250	0.000	1	120.2985	0.658	2	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:B[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6a]B[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(B[6]N[6]FF)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6a]B[6])(C[6a]C[6a]H){1|N<4>,2|F<1>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|B<4>,1|C<4>,1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(B[6]N[6]FF){1|H<1>,4|C<3>,5|C<4>}	123.1140	0.000	1	123.1140	0.000	1	123.1140	0.000	1	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CC)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6a]C[6])(C[6a]C[6a]H){3|C<3>,3|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CC){1|C<4>,4|C<3>,5|H<1>}	119.6350	0.000	1	119.6350	0.000	1	120.8798	2.827	4	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6a]C[6])(C[6a]C[6a]H){1|C<2>,1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)(H){1|C<2>,1|C<4>,1|O<2>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH){1|O<2>,4|C<3>,5|H<1>}	123.3590	0.000	1	123.3590	0.000	1	120.8798	2.827	4	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]P[6])(N[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]P[6])(N[6]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|P<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH){1|P<4>,4|C<3>,5|H<1>}	120.1570	0.000	1	120.2625	0.022	2	120.8798	2.827	4	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]P[6])(N[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]P[6])(N[6]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,4|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|P<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH){1|P<4>,4|C<3>,5|H<1>}	120.3680	0.000	1	120.2625	0.022	2	120.8798	2.827	4	121.5120	1.227	876	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:B[6]-4:H-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]B[6]H)	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a,6a]C[6a])(B[6]B[6]N[6]Mg)(H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]B[6]H){1|Mg<7>,1|B<4>,1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a]H)(H){1|B<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(B[6]B[6]N[6]Mg)(H){1|H<1>,2|N<3>,3|C<3>}	122.3090	0.403	2	122.3090	0.162	2	122.4320	0.127	3	120.6597	2.043	248	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:B[6]-4:H-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]B[6]H)	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a,6a]C[6a])(B[6]B[6]N[6]Sr)(H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]B[6]H){1|Sr<8>,1|B<4>,1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a]H)(H){1|B<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(B[6]B[6]N[6]Sr)(H){1|H<1>,2|N<3>,3|C<3>}	122.6780	0.000	1	122.6780	0.000	1	122.4320	0.127	3	120.6597	2.043	248	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6,6]H)	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6]C[6]2N[6])(H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6,6]H){1|H<1>,1|N<3>,5|C<3>}	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6]C[6]2N[6])(H){1|O<1>,3|H<1>,5|C<3>}	121.6610	0.000	1	121.6610	0.000	1	121.6610	0.000	1	120.6597	2.043	248	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]CC)(H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]H){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]CC)(H){2|H<1>,3|C<3>}	124.2090	0.000	1	124.2090	0.000	1	124.2090	0.000	1	120.6597	2.043	248	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])2(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)(N[6]C[6]H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,3|C<4>}	C[6a](C[6,6a]C[6,6a]N[6])2(H){2|C<4>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H){3|C<3>,3|H<1>}	120.4495	0.015	2	120.4495	0.000	2	121.5205	2.139	4	120.6597	2.043	248	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6,6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])2(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6,6a]H)(N[6]C[6]H){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])2(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H){1|N<3>,2|C<3>,3|H<1>}	123.5480	0.000	1	122.5915	1.830	2	121.5205	2.139	4	120.6597	2.043	248	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6,6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])2(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6,6a]H)(N[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])2(H){1|Cu<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H){1|N<3>,2|C<3>,3|H<1>}	121.6350	0.000	1	122.5915	1.830	2	121.5205	2.139	4	120.6597	2.043	248	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)(N[6]C[6]O)	C[6a](C[6,6a]C[6,6a]N[6])2(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CC)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)(N[6]C[6]O){1|C<3>,1|H<1>,1|N<3>,1|O<2>,4|C<4>}	C[6a](C[6,6a]C[6,6a]N[6])2(H){1|C<3>,2|O<1>,4|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CC)(O){1|C<4>,1|H<1>,2|C<3>}	118.7040	0.150	2	118.7040	0.022	2	118.7040	0.022	2	120.6597	2.043	248	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:Br-1:	C[6,6a]-3:C[5,6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(N[6]C[5,6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(Br)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(N[6]C[5,6]H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(Br){1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(H){1|Br<1>,2|C<3>,2|H<1>,3|C<4>}	122.7400	0.000	1	122.7400	0.000	1	122.7400	0.000	1	120.6597	2.043	248	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:Br-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]Br)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(Br)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]Br)(N[6]C[6]H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(Br){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H){1|Br<1>,1|H<1>,2|C<4>,4|C<3>}	121.0340	0.000	1	121.0340	0.000	1	121.0367	0.453	3	120.6597	2.043	248	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:Br-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(Br)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(N[6]C[6]H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(Br){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	120.3650	0.000	1	120.3650	0.000	1	121.0367	0.453	3	120.6597	2.043	248	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:Br-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(Br)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(N[6]C[6]H){1|N<3>,2|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(Br){1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H){1|Br<1>,2|C<4>,4|C<3>}	121.7110	0.000	1	121.7110	0.000	1	121.0367	0.453	3	120.6597	2.043	248	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:S[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Cl)(N[6]S[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(Cl)	N[6](C[6,6a]C[6,6a]C[6a])(S[6]N[6]OO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Cl)(N[6]S[6]H){1|N<3>,2|C<3>,2|O<1>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|S<4>}	N[6](C[6,6a]C[6,6a]C[6a])(S[6]N[6]OO)(H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	115.9640	0.000	1	115.9640	0.000	1	115.9640	0.000	1	120.6597	2.043	248	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:B[6]-4:H-1:	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[6]B[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]C[6a]2)(H)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[6]B[6]H){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	N[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]C[6a]2)(H){1|H<1>,1|N<3>,7|C<3>}	123.5580	0.221	2	123.7753	0.166	3	123.7753	0.166	3	120.6597	2.043	248	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:B[6]-4:H-1:	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[6]B[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]C[6a]2)(H)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[6]B[6]H){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	N[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]C[6a]2)(H){1|H<1>,1|N<3>,7|C<3>}	124.2100	0.000	1	123.7753	0.166	3	123.7753	0.166	3	120.6597	2.043	248	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-4:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[5,6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[5,6]H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	120.4920	0.000	1	120.4920	0.000	1	119.9153	1.818	15	120.6597	2.043	248	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-4:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[5,6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]2)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[5,6]H){2|C<4>,2|O<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)(H){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]2)(H){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	119.2000	0.000	1	119.2000	0.000	1	119.9153	1.818	15	120.6597	2.043	248	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H){1|C<3>,3|H<1>,4|C<4>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|H<1>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	118.3110	0.000	1	118.8917	0.256	7	119.9153	1.818	15	120.6597	2.043	248	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	119.0020	0.747	2	118.8917	0.256	7	119.9153	1.818	15	120.6597	2.043	248	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H){2|C<3>,3|H<1>,4|C<4>}	118.7175	0.469	2	118.8917	0.256	7	119.9153	1.818	15	120.6597	2.043	248	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	119.4510	0.000	1	118.8917	0.256	7	119.9153	1.818	15	120.6597	2.043	248	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	119.0410	0.000	1	118.8917	0.256	7	119.9153	1.818	15	120.6597	2.043	248	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(H){1|H<1>,3|C<4>,4|C<3>}	119.4420	0.000	1	119.4420	0.000	1	119.9153	1.818	15	120.6597	2.043	248	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2N[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2N[6])(H){2|C<4>,3|C<3>,6|H<1>}	121.9020	0.231	2	121.9020	0.053	2	119.9153	1.818	15	120.6597	2.043	248	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]C)(H){2|H<1>,3|C<3>,3|C<4>}	119.9330	0.000	1	119.9330	0.000	1	119.9153	1.818	15	120.6597	2.043	248	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(H){2|H<1>,3|C<3>,3|C<4>}	121.3590	0.000	1	121.3590	0.000	1	119.9153	1.818	15	120.6597	2.043	248	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-4:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[5,6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[5,6]H){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	122.2570	0.000	1	122.2570	0.000	1	119.9153	1.818	15	120.6597	2.043	248	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]O[6,6]C[6]H)(H)	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]O[6,6]C[6]H)(H){1|C<4>,2|H<1>,3|C<3>}	120.3320	0.000	1	120.3320	0.000	1	120.4295	2.330	21	120.6597	2.043	248	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a](C[6,6a]C[4x6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[4x6]N[6]H)(H)	C[6,6a](C[6,6a]C[4x6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]H){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[4x6]N[6]H)(H){1|H<1>,3|C<3>,4|C<4>}	119.9785	0.064	2	119.9785	0.004	2	120.4295	2.330	21	120.6597	2.043	248	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(H){2|C<3>,2|C<4>,5|H<1>}	120.2960	0.000	1	120.2960	0.000	1	120.4295	2.330	21	120.6597	2.043	248	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	120.7307	0.820	3	120.7307	0.673	3	120.4295	2.330	21	120.6597	2.043	248	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]2)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]2)(H){2|C<4>,4|C<3>,5|H<1>}	120.2410	0.000	1	120.2410	0.000	1	120.4295	2.330	21	120.6597	2.043	248	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6]H)(H){2|C<4>,3|C<3>,3|H<1>}	120.9920	0.000	1	120.9920	0.000	1	120.4295	2.330	21	120.6597	2.043	248	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]Ru)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6]H){1|Ru<4>,1|Ru<5>,1|Ru<8>,1|C<3>,1|C<4>,1|C<5>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<4>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]Ru)(H){1|Ru<5>,1|C<4>,1|C<5>,1|N<4>,2|C<3>,2|H<1>}	120.8470	0.000	1	120.8470	0.000	1	120.4295	2.330	21	120.6597	2.043	248	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6,6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6,6]H){1|C<2>,1|C<3>,1|H<1>,3|C<4>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,6|H<1>}	122.9590	0.000	1	122.9590	0.000	1	120.4295	2.330	21	120.6597	2.043	248	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6,6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6,6]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]C)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,3|C<3>}	122.2700	0.187	2	122.3573	0.040	3	120.4295	2.330	21	120.6597	2.043	248	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6,6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6,6]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]C)(H){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	122.5320	0.000	1	122.3573	0.040	3	120.4295	2.330	21	120.6597	2.043	248	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6,6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6,6]H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,3|C<3>}	122.6080	0.000	1	122.6080	0.000	1	120.4295	2.330	21	120.6597	2.043	248	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6,6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]C)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6,6]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]C)(H){1|C<4>,1|S<2>,2|H<1>,3|C<3>}	118.5873	0.508	6	118.5873	0.258	6	120.4295	2.330	21	120.6597	2.043	248	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,5,6,6]CH)(H)	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,3|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,5,6,6]CH)(H){1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	119.5060	0.000	1	119.5060	0.000	1	120.7301	1.677	176	120.6597	2.043	248	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|H<1>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H){2|C<3>,2|C<4>,2|H<1>}	119.5110	0.000	1	119.5110	0.000	1	120.7301	1.677	176	120.6597	2.043	248	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Cl)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|Cl<1>,1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Cl)(H){1|C<3>,1|F<1>,1|H<1>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H){2|C<4>,2|H<1>,4|C<3>}	120.5780	0.000	1	120.5780	0.000	1	120.7301	1.677	176	120.6597	2.043	248	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CH)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CH)(H){2|C<3>,2|C<4>,2|H<1>}	120.0830	0.000	1	120.0830	0.000	1	120.7301	1.677	176	120.6597	2.043	248	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[3]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[3]H)(H){2|C<3>,3|H<1>,4|C<4>}	119.6380	0.000	1	119.6380	0.000	1	120.7301	1.677	176	120.6597	2.043	248	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[5a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[5a]H)(H){2|C<4>,2|H<1>,4|C<3>}	119.0290	0.000	1	119.0290	0.000	1	120.7301	1.677	176	120.6597	2.043	248	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H){2|C<4>,2|H<1>,4|C<3>}	120.2360	0.570	2	120.1606	0.260	7	120.7301	1.677	176	120.6597	2.043	248	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H){2|C<4>,2|H<1>,4|C<3>}	120.3160	0.717	2	120.1606	0.260	7	120.7301	1.677	176	120.6597	2.043	248	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H){2|C<4>,2|H<1>,4|C<3>}	119.6860	0.000	1	120.1606	0.260	7	120.7301	1.677	176	120.6597	2.043	248	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H){1|N<2>,2|C<4>,2|H<1>,3|C<3>}	119.7000	0.000	1	120.1606	0.260	7	120.7301	1.677	176	120.6597	2.043	248	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H){2|C<4>,2|H<1>,4|C<3>}	120.6340	0.000	1	120.1606	0.260	7	120.7301	1.677	176	120.6597	2.043	248	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H){1|C<4>,2|C<3>,3|H<1>}	120.2535	0.199	2	120.2535	0.039	2	120.7301	1.677	176	120.6597	2.043	248	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]C[5a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){2|C<3>,2|N<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]C[5a]H)(H){1|H<1>,1|O<2>,5|C<3>}	121.4300	0.000	1	121.4300	0.000	1	120.7301	1.677	176	120.6597	2.043	248	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]C[6a]C)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]C[6a]C)(H){1|H<1>,1|N<2>,5|C<3>}	123.2260	0.000	1	123.2260	0.000	1	120.7301	1.677	176	120.6597	2.043	248	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	120.3873	0.312	3	120.8508	0.414	6	120.7301	1.677	176	120.6597	2.043	248	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){2|C<3>,2|N<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]C[6a]H)(H){1|H<1>,1|N<2>,5|C<3>}	121.9240	0.000	1	120.8508	0.414	6	120.7301	1.677	176	120.6597	2.043	248	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){2|C<3>,2|N<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]C[6a]H)(H){1|H<1>,6|C<3>}	121.0095	0.163	2	120.8508	0.414	6	120.7301	1.677	176	120.6597	2.043	248	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]CC)(H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]CC)(H){1|H<1>,1|N<2>,3|C<3>}	121.4320	0.000	1	121.4320	0.000	1	120.7301	1.677	176	120.6597	2.043	248	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[5a]H)(H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[5a]H)(H){1|H<1>,1|S<2>,5|C<3>}	121.0780	0.274	2	121.0780	0.075	2	120.7301	1.677	176	120.6597	2.043	248	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a]C)(H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a]C)(H){1|H<1>,1|N<2>,5|C<3>}	122.3760	0.000	1	121.3115	2.266	2	120.7301	1.677	176	120.6597	2.043	248	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a]C)(H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a]C)(H){1|H<1>,6|C<3>}	120.2470	0.000	1	121.3115	2.266	2	120.7301	1.677	176	120.6597	2.043	248	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a]H)(H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a]H)(H){1|H<1>,6|C<3>}	121.2940	0.612	6	121.2649	0.318	7	120.7301	1.677	176	120.6597	2.043	248	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a]H)(H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a]H)(H){1|H<1>,1|N<2>,5|C<3>}	121.0900	0.000	1	121.2649	0.318	7	120.7301	1.677	176	120.6597	2.043	248	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[5a,6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H)	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[5a,6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H){1|C<4>,1|H<1>,6|C<3>}	118.0630	0.000	1	118.0630	0.000	1	120.7301	1.677	176	120.6597	2.043	248	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Cl)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|Cl<1>,1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Cl)(H){1|C<3>,1|F<1>,1|H<1>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H){2|C<4>,2|H<1>,4|C<3>}	119.8455	0.023	2	119.8455	0.001	2	120.7301	1.677	176	120.6597	2.043	248	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CC)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CC)(H){1|H<1>,4|C<3>}	121.1870	0.000	1	121.1870	0.000	1	120.7301	1.677	176	120.6597	2.043	248	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H){2|C<4>,2|H<1>,4|C<3>}	120.2550	0.000	1	119.7329	0.466	8	120.7301	1.677	176	120.6597	2.043	248	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H){2|C<4>,2|H<1>,4|C<3>}	119.9560	0.335	4	119.7329	0.466	8	120.7301	1.677	176	120.6597	2.043	248	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H){1|C<4>,2|H<1>,5|C<3>}	119.4630	0.000	1	119.7329	0.466	8	120.7301	1.677	176	120.6597	2.043	248	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|Cl<1>,1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,1|H<1>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H){2|C<4>,2|H<1>,4|C<3>}	120.0900	0.000	1	119.7329	0.466	8	120.7301	1.677	176	120.6597	2.043	248	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	118.2310	0.000	1	119.7329	0.466	8	120.7301	1.677	176	120.6597	2.043	248	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CC)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CC)(H){1|H<1>,4|C<3>}	120.3505	1.433	2	120.3505	2.054	2	120.7301	1.677	176	120.6597	2.043	248	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|N<2>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]H)(H){1|H<1>,6|C<3>}	122.1710	0.000	1	122.1710	0.000	1	120.7301	1.677	176	120.6597	2.043	248	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6a]C[6a]H)(H){1|H<1>,6|C<3>}	122.7110	0.000	1	122.7110	0.000	1	120.7301	1.677	176	120.6597	2.043	248	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[5,6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a,6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[5,6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a,6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H){2|C<4>,2|H<1>,4|C<3>}	118.7780	0.000	1	118.7780	0.000	1	120.7301	1.677	176	120.6597	2.043	248	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[6,6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a,6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6,6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a,6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H){1|C<4>,2|H<1>,5|C<3>}	117.6100	0.000	1	117.6100	0.000	1	120.7301	1.677	176	120.6597	2.043	248	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a,6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]H){1|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a,6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]2)(H){1|H<1>,8|C<3>}	121.3800	0.000	1	121.3800	0.000	1	120.7301	1.677	176	120.6597	2.043	248	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a,6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a,6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H){1|C<4>,1|H<1>,6|C<3>}	117.2040	0.000	1	117.2040	0.000	1	120.7301	1.677	176	120.6597	2.043	248	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){3|C<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H){2|H<1>,3|C<3>}	119.2990	0.000	1	119.2990	0.000	1	120.7301	1.677	176	120.6597	2.043	248	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)(H){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|C<4>,3|H<1>,4|C<3>}	119.1790	0.000	1	119.1790	0.000	1	120.7301	1.677	176	120.6597	2.043	248	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,3|C<4>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H){2|H<1>,3|C<3>}	122.6300	0.000	1	122.6300	0.000	1	120.7301	1.677	176	120.6597	2.043	248	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Cl)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|Cl<1>,1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Cl)(H){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H){1|C<4>,2|C<3>,3|H<1>}	119.5190	0.000	1	119.5190	0.000	1	120.7301	1.677	176	120.6597	2.043	248	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Cl)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|Cl<1>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Cl)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H){2|H<1>,5|C<3>}	122.3930	0.000	1	122.3930	0.000	1	120.7301	1.677	176	120.6597	2.043	248	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Cl)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|Cl<1>,1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Cl)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H){1|H<1>,4|C<3>}	121.5620	0.000	1	121.5620	0.000	1	120.7301	1.677	176	120.6597	2.043	248	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]F)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|F<1>,3|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]F)(H){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H){1|C<4>,2|C<3>,3|H<1>}	120.2910	0.000	1	120.2910	0.000	1	120.7301	1.677	176	120.6597	2.043	248	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]H)(H){1|Fe<10>,2|H<1>,3|C<3>,3|C<4>}	119.6010	0.000	1	119.6010	0.000	1	120.7301	1.677	176	120.6597	2.043	248	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]N[6]H)(H){1|H<1>,2|N<3>,4|C<3>}	122.6805	0.593	2	122.6805	0.352	2	120.7301	1.677	176	120.6597	2.043	248	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]O[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]O[6]H)(H){1|Mn<8>,1|H<1>,2|C<3>,3|C<4>}	120.6030	0.000	1	119.9580	0.381	3	120.7301	1.677	176	120.6597	2.043	248	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]O[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]O[6]H)(H){1|Re<8>,1|H<1>,2|C<3>,3|C<4>}	119.6355	0.371	2	119.9580	0.381	3	120.7301	1.677	176	120.6597	2.043	248	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]N[6]H)(H){1|H<1>,1|O<2>,5|C<3>}	122.3950	0.000	1	122.3950	0.000	1	120.7301	1.677	176	120.6597	2.043	248	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,3|H<1>,4|C<4>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H){1|C<4>,2|C<3>,3|H<1>}	119.2940	0.000	1	120.0105	0.504	6	120.7301	1.677	176	120.6597	2.043	248	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H){2|H<1>,3|C<3>}	120.7200	0.000	1	120.0105	0.504	6	120.7301	1.677	176	120.6597	2.043	248	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H){2|H<1>,3|C<3>}	121.0390	0.000	1	120.0105	0.504	6	120.7301	1.677	176	120.6597	2.043	248	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H){1|C<4>,2|C<3>,3|H<1>}	119.8200	0.000	1	120.0105	0.504	6	120.7301	1.677	176	120.6597	2.043	248	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H){1|C<4>,2|C<3>,3|H<1>}	119.7750	0.000	1	120.0105	0.504	6	120.7301	1.677	176	120.6597	2.043	248	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H){1|C<4>,2|C<3>,3|H<1>}	119.4150	0.000	1	120.0105	0.504	6	120.7301	1.677	176	120.6597	2.043	248	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H){1|C<4>,2|C<3>,3|H<1>}	119.8320	0.000	1	120.2740	0.391	2	120.7301	1.677	176	120.6597	2.043	248	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,2|C<4>,5|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H){1|C<4>,2|C<3>,3|H<1>}	120.7160	0.000	1	120.2740	0.391	2	120.7301	1.677	176	120.6597	2.043	248	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|C<4>,6|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H){1|C<4>,2|C<3>,3|H<1>}	120.4970	0.000	1	120.2508	0.157	6	120.7301	1.677	176	120.6597	2.043	248	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|C<4>,6|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H){1|C<4>,2|C<3>,3|H<1>}	120.2440	0.510	3	120.2508	0.157	6	120.7301	1.677	176	120.6597	2.043	248	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|C<4>,6|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.4360	0.000	1	120.2508	0.157	6	120.7301	1.677	176	120.6597	2.043	248	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|C<4>,6|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H){1|H<1>,2|C<4>,3|C<3>}	119.8400	0.000	1	120.2508	0.157	6	120.7301	1.677	176	120.6597	2.043	248	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|C<4>,3|H<1>,4|C<3>}	118.2430	0.000	1	119.5036	0.780	12	120.7301	1.677	176	120.6597	2.043	248	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|C<4>,2|H<1>,5|C<3>}	119.6970	0.000	1	119.5036	0.780	12	120.7301	1.677	176	120.6597	2.043	248	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){3|H<1>,5|C<3>}	120.2547	0.467	3	119.5036	0.780	12	120.7301	1.677	176	120.6597	2.043	248	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|C<4>,2|H<1>,5|C<3>}	120.7200	0.000	1	119.5036	0.780	12	120.7301	1.677	176	120.6597	2.043	248	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	119.6500	0.000	1	119.5036	0.780	12	120.7301	1.677	176	120.6597	2.043	248	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){2|C<4>,2|H<1>,4|C<3>}	118.7940	0.000	1	119.5036	0.780	12	120.7301	1.677	176	120.6597	2.043	248	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|C<4>,3|H<1>,4|C<3>}	119.1990	0.000	1	119.5036	0.780	12	120.7301	1.677	176	120.6597	2.043	248	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|C<4>,1|H<1>,2|F<1>,4|C<3>}	120.0950	0.000	1	119.5036	0.780	12	120.7301	1.677	176	120.6597	2.043	248	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|C<4>,3|H<1>,4|C<3>}	118.4405	0.350	2	119.5036	0.780	12	120.7301	1.677	176	120.6597	2.043	248	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]C)(H){2|H<1>,5|C<3>}	122.6710	0.000	1	122.6710	0.000	1	120.7301	1.677	176	120.6597	2.043	248	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H){1|H<1>,1|O<1>,5|C<3>}	121.9410	0.000	1	122.0027	0.414	18	120.7301	1.677	176	120.6597	2.043	248	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<2>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H){1|H<1>,5|C<3>}	122.9130	0.083	2	122.0027	0.414	18	120.7301	1.677	176	120.6597	2.043	248	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H){1|H<1>,2|N<2>,4|C<3>}	121.3880	0.464	2	122.0027	0.414	18	120.7301	1.677	176	120.6597	2.043	248	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H){1|H<1>,6|C<3>}	122.1470	0.723	2	122.0027	0.414	18	120.7301	1.677	176	120.6597	2.043	248	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H){2|H<1>,5|C<3>}	121.9270	0.360	7	122.0027	0.414	18	120.7301	1.677	176	120.6597	2.043	248	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H){1|H<1>,6|C<3>}	122.4570	0.000	1	122.0027	0.414	18	120.7301	1.677	176	120.6597	2.043	248	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,2|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H){1|C<4>,1|H<1>,1|S<4>,4|C<3>}	120.6300	0.000	1	122.0027	0.414	18	120.7301	1.677	176	120.6597	2.043	248	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|Pd<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H){1|H<1>,6|C<3>}	122.3175	0.853	2	122.0027	0.414	18	120.7301	1.677	176	120.6597	2.043	248	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]C)(H){1|C<4>,1|H<1>,4|C<3>}	120.4200	0.000	1	120.4200	0.000	1	120.7301	1.677	176	120.6597	2.043	248	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(H){1|H<1>,5|C<3>}	121.2540	0.167	2	121.2540	0.028	2	120.7301	1.677	176	120.6597	2.043	248	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|Cl<1>,1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H){1|H<1>,1|O<2>,3|C<3>}	120.3980	0.000	1	121.5233	1.028	3	120.7301	1.677	176	120.6597	2.043	248	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|Pd<4>,1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H){1|H<1>,4|C<3>}	122.0860	0.395	2	121.5233	1.028	3	120.7301	1.677	176	120.6597	2.043	248	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H){1|C<4>,1|H<1>,3|C<3>}	122.6110	0.000	1	122.6110	0.000	1	120.7301	1.677	176	120.6597	2.043	248	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<4>,2|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H){1|C<4>,2|C<3>,3|H<1>}	117.7600	0.000	1	117.7600	0.000	1	120.7301	1.677	176	120.6597	2.043	248	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(H){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H){1|C<4>,2|C<3>,3|H<1>}	119.1017	0.942	3	119.1017	0.887	3	120.7301	1.677	176	120.6597	2.043	248	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,2|O<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H){2|H<1>,3|C<3>}	120.1130	0.000	1	119.6913	1.652	3	120.7301	1.677	176	120.6597	2.043	248	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H){2|H<1>,3|C<3>}	120.7130	0.000	1	119.6913	1.652	3	120.7301	1.677	176	120.6597	2.043	248	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){2|C<3>,2|O<2>,4|C<4>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)(H){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H){1|C<4>,2|C<3>,3|H<1>}	118.2480	0.000	1	119.6913	1.652	3	120.7301	1.677	176	120.6597	2.043	248	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Br)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H){1|Br<1>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Br)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|H<1>,1|N<2>,5|C<3>}	123.5250	0.000	1	123.5250	0.000	1	120.7301	1.677	176	120.6597	2.043	248	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|S<4>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H){1|N<3>,2|C<3>,3|H<1>}	120.4560	0.000	1	121.1935	1.088	2	120.7301	1.677	176	120.6597	2.043	248	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,2|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H){1|N<3>,2|C<3>,3|H<1>}	121.9310	0.000	1	121.1935	1.088	2	120.7301	1.677	176	120.6597	2.043	248	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|C<4>,5|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	121.6470	0.000	1	121.6470	0.000	1	120.7301	1.677	176	120.6597	2.043	248	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6])(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H){2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6])(H){1|H<1>,1|N<2>,7|C<3>}	123.6040	0.000	1	123.6040	0.000	1	120.7301	1.677	176	120.6597	2.043	248	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(H){1|N<3>,2|H<1>,5|C<3>}	121.1230	0.000	1	121.1230	0.000	1	120.7301	1.677	176	120.6597	2.043	248	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|N<3>,2|H<1>,5|C<3>}	120.6437	1.180	3	120.6437	1.392	3	120.7301	1.677	176	120.6597	2.043	248	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|N<2>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H){1|H<1>,1|N<3>,2|C<3>}	122.4115	0.845	2	122.4115	0.714	2	120.7301	1.677	176	120.6597	2.043	248	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|H<1>,1|N<2>,5|C<3>}	118.5170	0.000	1	118.5170	0.000	1	120.7301	1.677	176	120.6597	2.043	248	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Cl)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Cl)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H){1|O<2>,2|H<1>,3|C<3>}	121.8980	0.000	1	121.8980	0.000	1	120.7301	1.677	176	120.6597	2.043	248	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Cl)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]H){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Cl)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	121.6960	0.106	2	121.6960	0.011	2	120.7301	1.677	176	120.6597	2.043	248	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	123.4440	0.000	1	123.4440	0.000	1	120.7301	1.677	176	120.6597	2.043	248	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H){2|C<3>,2|H<1>,2|O<2>}	122.3300	0.000	1	122.3300	0.000	1	120.7301	1.677	176	120.6597	2.043	248	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|O<2>,2|H<1>,5|C<3>}	121.8740	0.137	2	121.8740	0.019	2	120.7301	1.677	176	120.6597	2.043	248	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|N<3>,2|C<4>,2|H<1>,2|O<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|H<1>,2|S<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H){1|S<4>,2|C<3>,2|H<1>}	120.2620	0.000	1	120.2620	0.000	1	120.7301	1.677	176	120.6597	2.043	248	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Cl)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>,2|O<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Cl)(H){1|C<3>,1|C<4>,1|H<1>,2|S<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	120.0835	0.097	2	120.0407	0.010	3	120.7301	1.677	176	120.6597	2.043	248	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Cl)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>,2|O<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Cl)(H){1|C<3>,1|C<4>,1|H<1>,2|S<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H){1|S<4>,2|C<3>,2|H<1>}	119.9550	0.000	1	120.0407	0.010	3	120.7301	1.677	176	120.6597	2.043	248	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Cl)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H){1|Cl<1>,1|C<3>,1|N<3>,2|O<1>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Cl)(H){1|C<3>,1|C<4>,1|H<1>,2|S<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H){1|S<4>,2|C<3>,2|H<1>}	120.5110	0.654	12	120.5110	0.428	12	120.7301	1.677	176	120.6597	2.043	248	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|S<2>,2|H<1>,5|C<3>}	119.8180	0.759	2	119.8180	0.577	2	120.7301	1.677	176	120.6597	2.043	248	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,2|C<3>,2|O<1>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H){1|S<4>,2|H<1>,4|C<3>}	120.2410	0.321	2	120.2410	0.103	2	120.7301	1.677	176	120.6597	2.043	248	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]CC)(H)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|H<1>,2|C<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]CC)(H){1|H<1>,1|N<3>,3|C<3>}	121.3343	0.430	3	121.3343	0.185	3	120.7301	1.677	176	120.6597	2.043	248	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]CC)(H)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]CC)(H){1|H<1>,1|N<3>,3|C<3>}	122.0150	0.000	1	122.0150	0.000	1	120.7301	1.677	176	120.6597	2.043	248	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[6a]H)(H)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[6a]H)(H){1|H<1>,1|N<3>,5|C<3>}	121.2645	0.607	2	122.0188	1.101	5	120.7301	1.677	176	120.6597	2.043	248	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[6a]H)(H)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[6a]H)(H){1|H<1>,1|N<3>,5|C<3>}	122.5217	1.034	3	122.0188	1.101	5	120.7301	1.677	176	120.6597	2.043	248	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]H)(N[6]C[6]O)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[5a,6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6])(O)	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]H)(N[6]C[6]O){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[5a,6a]H)(H){1|C<4>,1|N<2>,1|O<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6])(O){2|H<1>,7|C<3>}	118.2120	0.000	1	118.2120	0.000	1	118.6713	2.275	3	120.6597	2.043	248	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]O)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]2)(O)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]O){2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]2)(O){1|H<1>,8|C<3>}	120.3560	0.000	1	120.3560	0.000	1	118.6713	2.275	3	120.6597	2.043	248	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(N[6]C[6]O)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a,6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6])(O)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(N[6]C[6]O){2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a,6a]H)(H){1|C<4>,1|O<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6])(O){2|H<1>,7|C<3>}	117.4460	0.000	1	117.4460	0.000	1	118.6713	2.275	3	120.6597	2.043	248	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:P[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]P[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(P[6]C[6]OO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]P[6]H){1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,1|P<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(P[6]C[6]OO)(H){1|H<1>,4|C<3>}	118.8060	0.000	1	119.9373	1.433	3	119.9373	1.433	3	120.6597	2.043	248	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:P[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]P[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(P[6]C[6]OO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]P[6]H){1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|P<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(P[6]C[6]OO)(H){1|H<1>,4|C<3>}	121.1910	0.000	1	119.9373	1.433	3	119.9373	1.433	3	120.6597	2.043	248	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:P[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]P[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(P[6]C[6]OO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]P[6]H){1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|P<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(P[6]C[6]OO)(H){1|H<1>,4|C<3>}	119.8150	0.000	1	119.9373	1.433	3	119.9373	1.433	3	120.6597	2.043	248	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:S[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]H){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|S<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(H){1|H<1>,4|C<3>}	119.2340	0.000	1	119.6710	0.511	5	119.8508	0.603	6	120.6597	2.043	248	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:S[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]H){1|Cl<1>,1|H<1>,1|O<2>,2|C<3>,2|O<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|S<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(H){1|H<1>,4|C<3>}	119.4380	0.000	1	119.6710	0.511	5	119.8508	0.603	6	120.6597	2.043	248	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:S[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]H){1|O<2>,2|C<3>,2|H<1>,2|O<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|S<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(H){1|H<1>,4|C<3>}	119.1060	0.000	1	119.6710	0.511	5	119.8508	0.603	6	120.6597	2.043	248	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:S[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]H){2|C<3>,2|O<1>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,1|S<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(H){1|H<1>,4|C<3>}	120.2885	0.846	2	119.6710	0.511	5	119.8508	0.603	6	120.6597	2.043	248	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:S[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(S[6]N[6]OO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]H){1|C<3>,1|N<3>,2|H<1>,3|O<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|S<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(S[6]N[6]OO)(H){1|C<4>,1|H<1>,3|C<3>}	120.7500	0.000	1	120.7500	0.000	1	119.8508	0.603	6	120.6597	2.043	248	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6a]-3:O-1:	C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]N[6a]O)(N[6]C[6,6]H)	C[6a](C[6,6a]C[6,6a]N[6])(N[6a]C[6a]H)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]N[6a]O)(N[6]C[6,6]H){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(N[6a]C[6a]H)(O){1|C<4>,1|H<1>,1|N<2>,2|N<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H){1|C<4>,1|N<2>,1|O<1>,2|H<1>,2|N<3>,2|O<2>}	121.2350	0.000	1	120.4805	1.139	2	120.4805	1.139	2	120.6597	2.043	248	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6a]-3:O-1:	C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]N[6a]O)(N[6]C[6,6]H)	C[6a](C[6,6a]C[6,6a]N[6])(N[6a]C[6a]H)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]N[6a]O)(N[6]C[6,6]H){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(N[6a]C[6a]H)(O){1|C<4>,1|H<1>,1|N<2>,2|N<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H){1|C<4>,1|N<2>,1|O<1>,2|H<1>,2|N<3>,2|O<2>}	119.7260	0.000	1	120.4805	1.139	2	120.4805	1.139	2	120.6597	2.043	248	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a,6a]-3:C[6,6a]-3:Cl-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]Cl)(N[6]C[6]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(Cl)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]Cl)(N[6]C[6]H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(Cl){1|H<1>,2|C<4>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	121.7710	0.000	1	121.7710	0.000	1	121.7710	0.000	1	120.6597	2.043	248	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(N[6]C[6]H)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6,6a]N[6])(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(N[6]C[6]H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6,6a]N[6])(H){1|H<1>,2|C<4>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H){1|C<4>,2|C<3>,3|H<1>}	119.9430	0.286	2	119.9430	0.082	2	119.9430	0.082	2	120.6597	2.043	248	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:3:	C[5,6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[5,6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6a]C[6]N)(COO)	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(N[6]C[6]C){1|H<1>,2|N<3>,4|C<3>}	C[6a](C[6,6a]C[5,6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6a]C[6]N)(COO){2|H<1>,5|C<3>}	128.0150	0.000	1	128.0150	0.000	1	128.0150	0.000	1	121.6955	1.979	122	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[5,6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[5,6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[5,6a]C[5,6a]C[5])(H)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]HH)(COO)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[5,6a]H)(N[6]C[6]C){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[5,6a]C[5,6a]C[5])(H){1|O<1>,3|C<3>,3|C<4>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]HH)(COO){3|C<3>,3|H<1>}	121.4070	0.000	1	122.2903	0.951	3	122.2903	0.951	3	121.6955	1.979	122	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[5,6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[5,6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[5,6a]C[5,6a]C[5])(H)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]HH)(COO)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[5,6a]H)(N[6]C[6]C){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[5,6a]C[5,6a]C[5])(H){1|O<2>,2|C<4>,5|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]HH)(COO){3|C<3>,3|H<1>}	123.3370	0.000	1	122.2903	0.951	3	122.2903	0.951	3	121.6955	1.979	122	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[5,6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[5,6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[5,6a]C[5,6a]C[5])(H)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]HH)(COO)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[5,6a]H)(N[6]C[6]C){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[5,6a]C[5,6a]C[5])(H){2|C<4>,2|O<2>,4|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]HH)(COO){3|C<3>,3|H<1>}	122.1270	0.000	1	122.2903	0.951	3	122.2903	0.951	3	121.6955	1.979	122	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(N[6]C[6]C)	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]N[6])(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CCO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(N[6]C[6]C){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]N[6])(H){1|O<2>,2|C<4>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CCO){3|H<1>,5|C<3>}	119.6750	0.000	1	119.6750	0.000	1	119.6750	0.000	1	121.6955	1.979	122	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-4:C-3:	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[6]C[5,6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]S[5]H)(COO)	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[6]C[5,6]C){1|C<3>,1|S<3>,3|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]S[5]H)(COO){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	120.2420	0.000	1	120.2420	0.000	1	120.6640	0.356	2	121.6955	1.979	122	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-4:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5])(CHO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]C){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5])(CHO){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	121.0860	0.000	1	121.0860	0.000	1	120.6640	0.356	2	121.6955	1.979	122	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:C-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6]H)(COO)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]C){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){2|C<3>,3|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6]H)(COO){1|C<4>,1|H<1>,5|C<3>}	122.1730	0.098	2	122.1730	0.010	2	121.8757	0.160	4	121.6955	1.979	122	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CC[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]C){1|C<3>,2|C<4>,5|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CC[6a]O){2|C<3>,3|H<1>,4|C<4>}	121.8190	0.000	1	121.8190	0.000	1	121.8757	0.160	4	121.6955	1.979	122	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(CCO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]C){1|C<3>,3|H<1>,4|C<4>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|Cl<1>,2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(CCO){2|C<3>,3|C<4>,7|H<1>}	121.3380	0.000	1	121.3380	0.000	1	121.8757	0.160	4	121.6955	1.979	122	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]CH)(CC[6a]O)	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|C<2>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]CH)(CC[6a]O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.5580	0.000	1	120.5580	0.000	1	121.6530	1.783	80	121.6955	1.979	122	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]HH)(CCO)	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,2|C<4>,5|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]HH)(CCO){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	123.1340	0.000	1	123.1340	0.000	1	121.6530	1.783	80	121.6955	1.979	122	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CH)(CCO)	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){2|C<3>,3|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CH)(CCO){2|C<3>,2|C<4>,2|H<1>}	119.6670	0.000	1	119.6670	0.000	1	121.6530	1.783	80	121.6955	1.979	122	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CH)(COO)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CH)(COO){1|C<4>,1|H<1>,3|C<3>}	122.0170	0.000	1	122.0170	0.000	1	121.6530	1.783	80	121.6955	1.979	122	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(CCO)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(CCO){2|C<4>,2|H<1>,4|C<3>}	122.6880	0.000	1	122.6880	0.000	1	121.6530	1.783	80	121.6955	1.979	122	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(CCO)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|Cl<1>,2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(CCO){1|C<4>,2|H<1>,5|C<3>}	122.3080	0.000	1	122.3080	0.000	1	121.6530	1.783	80	121.6955	1.979	122	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(COO)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(COO){1|C<4>,2|H<1>,5|C<3>}	121.8720	0.203	3	121.8720	0.041	3	121.6530	1.783	80	121.6955	1.979	122	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(CC[6a]O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(CC[6a]O){2|C<3>,2|C<4>,2|H<1>}	118.9370	0.000	1	118.9370	0.000	1	121.6530	1.783	80	121.6955	1.979	122	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(COO)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(COO){1|H<1>,4|C<3>}	120.9830	0.000	1	120.9830	0.000	1	121.6530	1.783	80	121.6955	1.979	122	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[5]H)(CCO)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[5]H)(CCO){1|O<2>,2|H<1>,5|C<3>}	121.3310	0.000	1	121.3310	0.000	1	121.6530	1.783	80	121.6955	1.979	122	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(CCO)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(CCO){1|H<1>,4|C<3>}	122.3460	0.000	1	122.3460	0.000	1	121.6530	1.783	80	121.6955	1.979	122	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(COO)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(COO){1|H<1>,4|C<3>}	121.0265	0.028	2	121.0265	0.001	2	121.6530	1.783	80	121.6955	1.979	122	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Br)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CHO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){2|Br<1>,1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Br)(H){1|F<1>,2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CHO){1|C<4>,2|C<3>,3|H<1>}	119.5720	0.448	4	119.5720	0.201	4	121.6530	1.783	80	121.6955	1.979	122	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Br)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CHS)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){2|Br<1>,1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Br)(H){1|F<1>,2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CHS){1|C<4>,2|C<3>,3|H<1>}	118.9540	0.586	4	118.9540	0.343	4	121.6530	1.783	80	121.6955	1.979	122	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(COO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(COO){2|H<1>,3|C<3>}	122.5770	0.000	1	122.5770	0.000	1	121.6530	1.783	80	121.6955	1.979	122	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<2>,2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCC){2|H<1>,3|C<3>}	122.1880	0.000	1	122.1880	0.000	1	121.6530	1.783	80	121.6955	1.979	122	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CC[5]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,2|C<4>,5|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|F<1>,2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CC[5]O){1|C<4>,2|C<3>,3|H<1>}	122.1835	0.206	2	122.1835	0.042	2	121.6530	1.783	80	121.6955	1.979	122	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CC[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,2|C<4>,5|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CC[6a]O){1|C<4>,2|C<3>,3|H<1>}	122.5350	0.000	1	121.2750	3.175	2	121.6530	1.783	80	121.6955	1.979	122	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CC[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CC[6a]O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.0150	0.000	1	121.2750	3.175	2	121.6530	1.783	80	121.6955	1.979	122	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CN[5]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<2>,2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CN[5]O){2|H<1>,3|C<3>}	122.5550	0.485	2	122.5550	0.235	2	121.6530	1.783	80	121.6955	1.979	122	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(COO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<2>,1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(COO){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	121.6367	0.125	3	122.0132	0.284	5	121.6530	1.783	80	121.6955	1.979	122	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(COO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(COO){2|H<1>,3|C<3>}	122.5780	0.199	2	122.0132	0.284	5	121.6530	1.783	80	121.6955	1.979	122	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,6|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCH){1|C<4>,2|C<3>,3|H<1>}	121.3650	0.000	1	121.3650	0.000	1	121.6530	1.783	80	121.6955	1.979	122	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,6|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCO){1|C<4>,2|C<3>,3|H<1>}	121.7480	0.000	1	121.7480	0.000	1	121.6530	1.783	80	121.6955	1.979	122	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[5,5,6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,6|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[5,5,6]O){2|C<3>,2|C<4>,2|H<1>}	121.2990	0.000	1	121.2990	0.000	1	121.6530	1.783	80	121.6955	1.979	122	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[5a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,6|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[5a]O){1|C<4>,2|C<3>,3|H<1>}	121.8330	0.000	1	121.8330	0.000	1	121.6530	1.783	80	121.6955	1.979	122	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|Cl<1>,2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]O){2|H<1>,3|C<3>}	122.3690	0.000	1	121.9013	0.484	4	121.6530	1.783	80	121.6955	1.979	122	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){2|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]O){2|H<1>,3|C<3>}	120.9740	0.000	1	121.9013	0.484	4	121.6530	1.783	80	121.6955	1.979	122	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){2|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]O){1|C<4>,1|H<1>,3|C<3>}	122.4970	0.000	1	121.9013	0.484	4	121.6530	1.783	80	121.6955	1.979	122	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){2|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]O){2|H<1>,3|C<3>}	121.7650	0.000	1	121.9013	0.484	4	121.6530	1.783	80	121.6955	1.979	122	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(COO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<2>,1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(COO){1|C<4>,2|C<3>,3|H<1>}	121.2070	0.000	1	121.6455	0.385	2	121.6530	1.783	80	121.6955	1.979	122	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(COO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){2|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(COO){1|Br<1>,1|H<1>,3|C<3>}	122.0840	0.000	1	121.6455	0.385	2	121.6530	1.783	80	121.6955	1.979	122	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CSS)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,6|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CSS){1|C<4>,2|C<3>,3|H<1>}	121.3180	0.093	2	121.3180	0.009	2	121.6530	1.783	80	121.6955	1.979	122	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CCO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|Cl<1>,2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CCO){1|C<4>,2|C<3>,3|H<1>}	122.4150	0.000	1	122.4150	0.000	1	121.6530	1.783	80	121.6955	1.979	122	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(COO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(COO){1|C<4>,2|H<1>,3|C<3>}	122.3670	0.000	1	122.0045	0.263	2	121.6530	1.783	80	121.6955	1.979	122	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(COO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|Ni<4>,1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(COO){1|Ni<4>,1|C<4>,2|C<3>,2|H<1>}	121.6420	0.000	1	122.0045	0.263	2	121.6530	1.783	80	121.6955	1.979	122	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]NiH)(COO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|Ni<5>,1|C<3>,1|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]NiH)(COO){1|C<4>,2|C<3>,2|H<1>}	122.6140	0.000	1	122.6140	0.000	1	121.6530	1.783	80	121.6955	1.979	122	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(COO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(COO){1|C<4>,3|H<1>,4|C<3>}	121.1770	0.000	1	120.4625	1.021	2	121.6530	1.783	80	121.6955	1.979	122	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(COO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(COO){1|C<4>,3|H<1>,4|C<3>}	119.7480	0.000	1	120.4625	1.021	2	121.6530	1.783	80	121.6955	1.979	122	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CCO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CCO){1|C<4>,2|H<1>,5|C<3>}	122.1160	0.000	1	121.9060	0.088	2	121.6530	1.783	80	121.6955	1.979	122	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CCO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CCO){2|H<1>,5|C<3>}	121.6960	0.000	1	121.9060	0.088	2	121.6530	1.783	80	121.6955	1.979	122	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]O){1|C<4>,2|H<1>,5|C<3>}	119.5060	0.000	1	119.5060	0.000	1	121.6530	1.783	80	121.6955	1.979	122	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CHO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|Cl<1>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CHO){2|H<1>,5|C<3>}	121.7850	0.000	1	121.7850	0.000	1	121.6530	1.783	80	121.6955	1.979	122	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(COO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(COO){2|H<1>,6|C<3>}	122.4840	0.000	1	121.8594	1.061	5	121.6530	1.783	80	121.6955	1.979	122	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(COO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(COO){1|C<4>,3|H<1>,4|C<3>}	121.6760	0.000	1	121.8594	1.061	5	121.6530	1.783	80	121.6955	1.979	122	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(COO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(COO){1|B<3>,1|C<4>,2|H<1>,4|C<3>}	120.2320	0.000	1	121.8594	1.061	5	121.6530	1.783	80	121.6955	1.979	122	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(COO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(COO){1|B<3>,1|C<4>,2|H<1>,4|C<3>}	122.9370	0.000	1	121.8594	1.061	5	121.6530	1.783	80	121.6955	1.979	122	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(COO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(COO){2|H<1>,5|C<3>}	121.9680	0.000	1	121.8594	1.061	5	121.6530	1.783	80	121.6955	1.979	122	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(CCH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|O<2>,2|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(CCH){1|C<4>,1|H<1>,4|C<3>}	123.0180	0.000	1	123.0180	0.000	1	121.6530	1.783	80	121.6955	1.979	122	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)(H){1|O<2>,2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]O){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	120.6325	0.231	2	120.6325	0.053	2	121.6530	1.783	80	121.6955	1.979	122	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CC[6a]O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CC[6a]O){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	123.6180	1.182	4	123.6180	1.398	4	121.6530	1.783	80	121.6955	1.979	122	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCO)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C){2|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCO){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	124.0315	0.210	2	124.0315	0.044	2	121.6530	1.783	80	121.6955	1.979	122	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Br)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCO)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]C){1|Br<1>,1|C<3>,1|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCO){1|O<2>,2|C<3>,3|H<1>}	122.6980	0.000	1	122.6980	0.000	1	121.6530	1.783	80	121.6955	1.979	122	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCO)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCO){1|O<2>,2|C<3>,3|H<1>}	123.9520	0.000	1	123.9520	0.000	1	121.6530	1.783	80	121.6955	1.979	122	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]O){1|C<2>,1|O<2>,2|C<3>,2|H<1>}	121.9090	0.000	1	121.9090	0.000	1	121.6530	1.783	80	121.6955	1.979	122	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(COO)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(COO){1|O<2>,2|C<3>,3|H<1>}	123.2645	0.163	2	123.2645	0.027	2	121.6530	1.783	80	121.6955	1.979	122	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CCO)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CCO){1|S<2>,3|H<1>,4|C<3>}	120.9265	0.217	2	120.9265	0.047	2	121.6530	1.783	80	121.6955	1.979	122	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Cl)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]CH)(CCO)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|Cl<1>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]CH)(CCO){1|H<1>,1|N<3>,3|C<3>}	121.7400	0.000	1	121.7400	0.000	1	121.6530	1.783	80	121.6955	1.979	122	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6]-3:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]2){1|Cl<1>,1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(C[6]C[6]O){1|O<2>,2|C<3>,2|C<4>,7|H<1>}	123.2860	0.000	1	123.2860	0.000	1	123.2860	0.000	1	121.6955	1.979	122	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:N-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]N)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)(NCC)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]N){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)(NCC){1|H<1>,4|C<3>}	123.3320	0.000	1	123.3320	0.000	1	123.3320	0.000	1	121.6955	1.979	122	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:P-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]P)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(POO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]P){1|C<3>,2|C<4>,5|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|P<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(POO){1|C<4>,2|C<3>,3|H<1>}	120.5420	0.000	1	120.5420	0.000	1	120.5420	0.000	1	121.6955	1.979	122	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6a]-3:O-1:	C[6,6a]-3:C[6,6]-4:C-3:	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]N[6a]O)(N[6]C[6,6]C)	C[6a](C[6,6a]C[6,6a]N[6])(N[6a]C[6a]C)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CCO)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]N[6a]O)(N[6]C[6,6]C){1|C<3>,2|H<1>,3|C<4>}	C[6a](C[6,6a]C[6,6a]N[6])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CCO){1|C<4>,1|N<2>,1|O<1>,2|H<1>,2|N<3>,2|O<2>}	119.8650	0.208	2	119.8650	0.043	2	119.8650	0.043	2	121.6955	1.979	122	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:F-1:	C[6,6a]-3:C[3]-4:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[3]C[6])(C[6a]C[6a]F)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N[6])(F)	N[6](C[6,6a]C[6,6a]C[6a])(C[3]C[3]2H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[3]C[6])(C[6a]C[6a]F){1|O<2>,2|C<3>,2|C<4>,2|H<1>,2|N<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N[6])(F){1|F<1>,3|C<3>,3|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[3]C[3]2H)(C[6]C[6]H){1|F<1>,4|C<3>,4|H<1>}	121.8895	0.210	2	121.8895	0.044	2	121.8895	0.044	2	121.6955	1.979	122	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:B[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6]C[6a]B[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]FF)(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6]C[6a]B[6])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|F<1>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]FF)(C[6a]C[6a]2){1|H<1>,2|C<4>,6|C<3>}	122.3987	0.109	3	122.8119	0.246	7	122.7346	0.259	8	121.6955	1.979	122	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:B[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6]C[6a]B[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]FF)(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6]C[6a]B[6])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|F<1>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]FF)(C[6a]C[6a]2){1|H<1>,3|C<4>,5|C<3>}	122.7675	0.214	2	122.8119	0.246	7	122.7346	0.259	8	121.6955	1.979	122	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:B[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6]C[6a]B[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]FF)(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6]C[6a]B[6])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|F<1>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]FF)(C[6a]C[6a]2){2|Br<1>,1|H<1>,6|C<3>}	123.4030	0.000	1	122.8119	0.246	7	122.7346	0.259	8	121.6955	1.979	122	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:B[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6]C[6a]B[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]FF)(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6]C[6a]B[6])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|F<1>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]FF)(C[6a]C[6a]2){2|Cl<1>,1|H<1>,6|C<3>}	123.5490	0.000	1	122.8119	0.246	7	122.7346	0.259	8	121.6955	1.979	122	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:B[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6a]B[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]FF)(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6a]B[6])(C[6a]C[6a]H){1|N<4>,2|F<1>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|B<4>,1|C<4>,1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]FF)(C[6a]C[6a]2){1|H<1>,4|C<3>,5|C<4>}	122.1940	0.000	1	122.1940	0.000	1	122.7346	0.259	8	121.6955	1.979	122	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[3]-4:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[3]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Cl)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[3]C[3]2H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[3]C[6])(C[6a]C[6a]H){1|Cl<1>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Cl)(H){1|C<4>,1|F<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[3]C[3]2H)(C[6]C[6]H){4|C<3>,5|H<1>}	119.3600	0.000	1	119.3600	0.000	1	120.6137	0.635	9	121.6955	1.979	122	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[3]-4:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[3]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N[6])(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[3]C[3]2H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[3]C[6])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N[6])(H){1|F<1>,3|C<3>,3|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[3]C[3]2H)(C[6]C[6]H){4|C<3>,5|H<1>}	120.7704	0.688	8	120.7704	0.473	8	120.6137	0.635	9	121.6955	1.979	122	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:B[5]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6]B[5]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(B[5]O[5]2)	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6]B[5]C[6])(C[6a]C[6a]H){2|O<2>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|B<3>,1|C<4>,1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(B[5]O[5]2){1|H<1>,2|C<4>,4|C<3>}	121.2330	0.288	2	121.2330	0.083	2	121.2330	0.083	2	121.6955	1.979	122	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)(C[6a]C[6a]2){3|H<1>,6|C<3>}	121.6030	0.000	1	121.6030	0.000	1	122.6550	0.712	4	121.6955	1.979	122	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,4|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(C[6a]C[6a]2){3|H<1>,8|C<3>}	123.1380	0.000	1	123.1380	0.000	1	122.6550	0.712	4	121.6955	1.979	122	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6a]C[6])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2){1|N<2>,3|H<1>,7|C<3>}	123.5030	0.000	1	123.5030	0.000	1	122.6550	0.712	4	121.6955	1.979	122	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O)(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6a]C[6])(C[6a]C[6a]H){1|Zn<4>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O)(C[6a]C[6a]2){1|N<2>,1|N<3>,3|H<1>,6|C<3>}	122.3760	0.000	1	122.3760	0.000	1	122.6550	0.712	4	121.6955	1.979	122	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:P[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]P[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)(H)	N[6](C[6,6a]C[6,6a]C[6a])(P[6]C[6,6a]C[6a]S)(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]P[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|S<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)(H){1|H<1>,1|P<4>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(P[6]C[6,6a]C[6a]S)(C[6a]C[6a]2){1|H<1>,2|F<1>,8|C<3>}	120.0660	0.000	1	120.0660	0.000	1	120.0660	0.000	1	121.6955	1.979	122	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:B[6,6]-4:C-4:	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(N[6]B[6,6]C)	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a,6a]H)(H)	N[6](C[6,6a]C[6,6a,6a]C[6a])(B[6,6]N[6]3)(CH3)	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(N[6]B[6,6]C){1|H<1>,3|C<3>,3|N<3>}	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a,6a]H)(H){1|B<4>,1|C<4>,3|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(B[6,6]N[6]3)(CH3){1|H<1>,3|C<4>,5|C<3>}	122.0358	0.205	4	122.0358	0.042	4	123.4708	0.313	36	121.8107	2.741	244	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:B[6,6]-4:C-4:	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(N[6]B[6,6]C)	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a,6a]H)(H)	N[6](C[6,6a]C[6,6a,6a]C[6a])(B[6,6]N[6]O[6]2)(CCHH)	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(N[6]B[6,6]C){1|H<1>,1|N<3>,2|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a,6a]H)(H){1|B<4>,1|C<4>,3|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(B[6,6]N[6]O[6]2)(CCHH){1|C<4>,1|H<1>,5|C<3>}	123.6319	0.215	30	123.6319	0.046	30	123.4708	0.313	36	121.8107	2.741	244	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:B[6,6]-4:C-4:	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(N[6]B[6,6]C)	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a,6a]H)(H)	N[6](C[6,6a]C[6,6a,6a]C[6a])(B[6,6]N[6]O[6]2)(CC[6]HH)	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(N[6]B[6,6]C){1|H<1>,1|N<3>,2|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a,6a]H)(H){1|B<4>,1|C<4>,3|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(B[6,6]N[6]O[6]2)(CC[6]HH){1|C<4>,1|H<1>,5|C<3>}	124.1220	0.000	1	124.1220	0.000	1	123.4708	0.313	36	121.8107	2.741	244	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:B[6,6]-4:C-4:	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(N[6]B[6,6]C)	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a,6a]H)(H)	N[6](C[6,6a]C[6,6a,6a]C[6a])(B[6,6]N[6]O[6]2)(CC[6a]HH)	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(N[6]B[6,6]C){1|H<1>,1|N<3>,2|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a,6a]H)(H){1|B<4>,1|C<4>,3|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(B[6,6]N[6]O[6]2)(CC[6a]HH){1|C<4>,1|H<1>,5|C<3>}	123.7260	0.000	1	123.7260	0.000	1	123.4708	0.313	36	121.8107	2.741	244	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-4:C-4:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[5,6]C)	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5]2N[6])(CH3)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[5,6]C){1|H<1>,1|N<3>,5|C<3>}	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5]2N[6])(CH3){1|C<4>,1|H<1>,2|O<1>,5|C<3>}	122.3515	0.655	2	122.3515	0.430	2	122.6327	0.452	3	121.8107	2.741	244	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-4:C-4:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[5,6]C)	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]N[5,6]C[5]C)(CC[6a]HH)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[5,6]C){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]N[5,6]C[5]C)(CC[6a]HH){2|C<4>,3|C<3>,3|H<1>}	123.1950	0.000	1	123.1950	0.000	1	122.6327	0.452	3	121.8107	2.741	244	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6a]N[6]H)(CN[5]HH)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6a]N[6]H)(CN[5]HH){1|C<4>,1|H<1>,5|C<3>}	123.5980	0.563	2	123.5980	0.317	2	122.7700	1.562	26	121.8107	2.741	244	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6a]N[6]H)(CN[5a]HH)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6a]N[6]H)(CN[5a]HH){1|C<4>,1|H<1>,5|C<3>}	123.9160	0.000	1	123.9160	0.000	1	122.7700	1.562	26	121.8107	2.741	244	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]CC)(CH3)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]CC)(CH3){1|C<4>,1|H<1>,3|C<3>}	122.4649	0.919	15	122.4649	0.844	15	122.7700	1.562	26	121.8107	2.741	244	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]HH)(CH3)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C){1|N<4>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]HH)(CH3){1|H<1>,2|C<4>,3|C<3>}	124.0710	0.000	1	124.0710	0.000	1	122.7700	1.562	26	121.8107	2.741	244	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]HH)(CHHP)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]HH)(CHHP){1|C<4>,1|H<1>,3|C<3>}	123.0392	1.971	6	122.8376	3.521	7	122.7700	1.562	26	121.8107	2.741	244	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]HH)(CHHP)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C){1|N<4>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]HH)(CHHP){1|Ru<6>,1|C<4>,1|H<1>,3|C<3>}	121.6280	0.000	1	122.8376	3.521	7	122.7700	1.562	26	121.8107	2.741	244	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:Ge[6]-4:P-4:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]Ge[6]P)	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a,6a]C[6a])(Ge[6]N[6]ClS)(PC3)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]Ge[6]P){1|Cl<1>,1|H<1>,1|N<3>,1|S<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a]H)(H){1|Ge<4>,1|H<1>,1|P<4>,2|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(Ge[6]N[6]ClS)(PC3){1|H<1>,1|P<4>,3|C<3>}	119.3965	0.920	2	119.3965	0.846	2	119.3965	0.846	2	121.8107	2.741	244	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6,6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6,6a]N[6])(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6,6a]H)(N[6]C[6]C){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6,6a]N[6])(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>,2|N<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH){1|N<3>,2|C<3>,3|H<1>}	123.2950	0.000	1	123.2950	0.000	1	122.0925	2.892	2	121.8107	2.741	244	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6,6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6,6a]O[6])(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6,6a]H)(N[6]C[6]C){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6,6a]O[6])(H){1|B<4>,1|N<3>,2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH){1|N<3>,2|C<3>,3|H<1>}	120.8900	0.000	1	120.8900	0.000	1	122.0925	2.892	2	121.8107	2.741	244	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:Br-1:	C[6,6a]-3:C[5,6]-4:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(N[6]C[5,6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(Br)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(CCHH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(N[6]C[5,6]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(Br){1|N<3>,2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(CCHH){1|Br<1>,1|S<2>,3|C<3>,3|C<4>}	121.6040	0.000	1	121.6040	0.000	1	121.6040	0.000	1	121.8107	2.741	244	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[3,6]-4:S-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[3,6]S)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]C[3]C)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[3,6]S){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|S<4>,3|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]C[3]C)(SC[6a]OO){1|C<4>,3|C<3>,3|H<1>}	122.3110	0.000	1	122.3110	0.000	1	122.3110	0.000	1	121.8107	2.741	244	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-4:C-4:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[5,6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(CC[6a]HH)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[5,6]C){1|Br<1>,1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(CC[6a]HH){2|C<4>,3|C<3>,3|H<1>}	121.4400	0.000	1	121.4400	0.000	1	121.4400	0.000	1	121.8107	2.741	244	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-4:S-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]S)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]2H)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]S){1|C<3>,2|C<4>,5|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]2H)(SC[6a]OO){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	121.2760	0.000	1	121.2760	0.000	1	120.9293	3.197	6	121.8107	2.741	244	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-4:S-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]S)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]S){1|C<2>,1|C<3>,2|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(SC[6a]OO){2|C<3>,3|C<4>,4|H<1>}	119.2050	0.000	1	119.2050	0.000	1	120.9293	3.197	6	121.8107	2.741	244	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-4:S-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]S)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]S){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(SC[6a]OO){1|H<1>,2|C<4>,5|C<3>}	122.4190	0.000	1	122.7360	0.201	2	120.9293	3.197	6	121.8107	2.741	244	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-4:S-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]S)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]S){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(SC[6a]OO){2|C<4>,2|H<1>,4|C<3>}	123.0530	0.000	1	122.7360	0.201	2	120.9293	3.197	6	121.8107	2.741	244	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-4:S-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]S)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]S){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|S<4>,3|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(SC[6a]OO){2|C<3>,2|H<1>,3|C<4>}	121.1650	0.000	1	121.1650	0.000	1	120.9293	3.197	6	121.8107	2.741	244	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-4:S-4:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[5,6]S)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[5,6]S){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|S<2>,1|S<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(SC[6a]OO){1|S<2>,2|C<3>,2|C<4>,4|H<1>}	118.4580	0.000	1	118.4580	0.000	1	120.9293	3.197	6	121.8107	2.741	244	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:C-4:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CC[6a]HH)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]C){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,3|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CC[6a]HH){2|C<3>,2|C<4>,5|H<1>}	122.4520	0.000	1	122.4520	0.000	1	121.8576	0.827	14	121.8107	2.741	244	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:C-4:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]H)(CC[6a]HH)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]C){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,3|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]H)(CC[6a]HH){1|C<4>,3|H<1>,4|C<3>}	122.1110	0.000	1	122.1110	0.000	1	121.8576	0.827	14	121.8107	2.741	244	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:C-4:	C[6,6a](C[6,6a]C[6a,6a]C[6,6])(C[6a]C[6a]H)(N[6]C[6,6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a,6a]Br)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CH3)	C[6,6a](C[6,6a]C[6a,6a]C[6,6])(C[6a]C[6a]H)(N[6]C[6,6]C){1|Br<1>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a,6a]Br)(H){2|C<3>,3|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CH3){2|C<3>,2|C<4>,5|H<1>}	119.1260	0.000	1	119.1260	0.000	1	121.8576	0.827	14	121.8107	2.741	244	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]C){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(CH3){3|H<1>,6|C<3>}	122.4080	0.000	2	122.4080	0.000	2	121.8576	0.827	14	121.8107	2.741	244	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]C){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(CH3){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	121.2470	0.000	1	121.2470	0.000	1	121.8576	0.827	14	121.8107	2.741	244	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6]H)(CN[5]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6]H)(CN[5]HH){2|C<4>,3|C<3>,3|H<1>}	123.0250	0.000	1	123.0250	0.000	1	121.8576	0.827	14	121.8107	2.741	244	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]O[6]H)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]C){1|C<3>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]O[6]H)(CH3){1|H<1>,2|C<4>,3|C<3>}	122.0165	0.309	2	122.0165	0.095	2	121.8576	0.827	14	121.8107	2.741	244	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:C-4:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CH3)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6]C){1|C<2>,1|C<3>,2|H<1>,3|C<4>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)(H){1|C<2>,1|C<3>,1|N<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CH3){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	121.8392	0.311	5	121.8392	0.097	5	121.8576	0.827	14	121.8107	2.741	244	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:S-4:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6]S)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6]S){1|C<3>,2|H<1>,3|C<4>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|S<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(SC[6a]OO){1|N<2>,2|C<3>,2|C<4>,4|H<1>}	120.4830	0.000	1	120.4830	0.000	1	123.4086	7.751	5	121.8107	2.741	244	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:S-4:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6]S)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6]S){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|S<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(SC[6a]OO){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	125.6100	0.000	1	125.4307	0.157	3	123.4086	7.751	5	121.8107	2.741	244	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:S-4:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6]S)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6]S){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|S<4>,2|N<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(SC[6a]OO){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	124.9760	0.000	1	125.4307	0.157	3	123.4086	7.751	5	121.8107	2.741	244	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:S-4:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6]S)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6]S){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|S<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(SC[6a]OO){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	125.7060	0.000	1	125.4307	0.157	3	123.4086	7.751	5	121.8107	2.741	244	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:S-4:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6]S)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6]S){1|C<3>,1|N<3>,1|S<4>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|S<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(SC[6a]OO){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	120.2680	0.000	1	120.2680	0.000	1	123.4086	7.751	5	121.8107	2.741	244	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CH3)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CH3){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	122.5080	0.000	1	122.2510	0.066	3	122.2714	2.073	46	121.8107	2.741	244	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CH3)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CH3){1|H<1>,1|N<3>,4|C<3>}	121.9960	0.000	1	122.2510	0.066	3	122.2714	2.073	46	121.8107	2.741	244	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CH3)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CH3){2|C<3>,2|C<4>,2|H<1>}	122.2490	0.000	1	122.2510	0.066	3	122.2714	2.073	46	121.8107	2.741	244	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(CH3)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(CH3){1|H<1>,4|C<3>}	121.5920	0.000	1	121.5920	0.000	1	122.2714	2.073	46	121.8107	2.741	244	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Br)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|Br<1>,1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,3|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]HH){1|C<4>,1|H<1>,6|C<3>}	119.7105	0.291	2	119.7105	0.084	2	122.2714	2.073	46	121.8107	2.741	244	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Cl)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|Cl<1>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,3|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CH3){1|C<4>,2|H<1>,3|C<3>}	120.1220	0.000	1	120.1220	0.000	1	122.2714	2.073	46	121.8107	2.741	244	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(CH3){1|C<4>,1|H<1>,1|N<2>,5|C<3>}	120.9620	0.000	1	120.9620	0.000	1	122.2714	2.073	46	121.8107	2.741	244	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CC[6a]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CC[6a]HH){2|H<1>,4|C<3>}	121.1600	0.000	1	121.1600	0.000	1	122.2714	2.073	46	121.8107	2.741	244	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,2|C<4>,5|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CH3){1|C<4>,2|C<3>,3|H<1>}	120.6330	0.000	1	120.6330	0.000	1	122.2714	2.073	46	121.8107	2.741	244	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,6|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,3|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC3){1|C<4>,2|C<3>,3|H<1>}	123.8830	0.000	1	123.8830	0.000	1	122.2714	2.073	46	121.8107	2.741	244	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCCH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,6|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,3|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCCH){1|C<4>,2|C<3>,3|H<1>}	122.0620	0.000	1	121.6263	0.149	3	122.2714	2.073	46	121.8107	2.741	244	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCCH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,3|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,3|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCCH){1|C<4>,2|C<3>,3|H<1>}	121.4085	0.114	2	121.6263	0.149	3	122.2714	2.073	46	121.8107	2.741	244	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]HH){3|C<3>,3|H<1>}	121.8650	0.000	1	121.8650	0.000	1	122.2714	2.073	46	121.8107	2.741	244	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,2|C<2>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,3|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3){1|C<4>,2|H<1>,3|C<3>}	120.9170	0.000	1	121.1880	0.254	4	122.2714	2.073	46	121.8107	2.741	244	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,2|C<2>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,4|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3){1|C<4>,2|H<1>,3|C<3>}	121.9380	0.000	1	121.1880	0.254	4	122.2714	2.073	46	121.8107	2.741	244	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,6|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,3|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3){1|C<4>,2|C<3>,3|H<1>}	121.0210	0.000	1	121.1880	0.254	4	122.2714	2.073	46	121.8107	2.741	244	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,4|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3){1|C<4>,2|C<3>,3|H<1>}	120.8760	0.000	1	121.1880	0.254	4	122.2714	2.073	46	121.8107	2.741	244	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,3|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(CH3){1|C<4>,1|H<1>,6|C<3>}	120.9360	0.000	1	120.9360	0.000	1	122.2714	2.073	46	121.8107	2.741	244	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]HH){1|C<4>,2|H<1>,5|C<3>}	120.7940	0.000	1	121.4034	2.476	5	122.2714	2.073	46	121.8107	2.741	244	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]HH){1|C<4>,1|H<1>,6|C<3>}	120.0960	0.000	1	121.4034	2.476	5	122.2714	2.073	46	121.8107	2.741	244	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]HH){1|C<4>,3|H<1>,4|C<3>}	123.4370	0.000	1	121.4034	2.476	5	122.2714	2.073	46	121.8107	2.741	244	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,3|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]HH){1|C<4>,3|H<1>,4|C<3>}	119.9880	0.000	1	121.4034	2.476	5	122.2714	2.073	46	121.8107	2.741	244	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]HH){2|H<1>,5|C<3>}	122.7020	0.000	1	121.4034	2.476	5	122.2714	2.073	46	121.8107	2.741	244	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CH3){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	121.5570	0.000	1	121.3970	0.051	2	122.2714	2.073	46	121.8107	2.741	244	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CH3){1|C<4>,1|H<1>,6|C<3>}	121.2370	0.000	1	121.3970	0.051	2	122.2714	2.073	46	121.8107	2.741	244	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(CCHH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(CCHH){2|H<1>,5|C<3>}	124.0430	0.000	1	124.0430	0.000	1	122.2714	2.073	46	121.8107	2.741	244	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(CH3){1|H<1>,1|O<1>,5|C<3>}	123.3600	0.000	1	123.3600	0.000	1	122.2714	2.073	46	121.8107	2.741	244	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(CC[6a]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(CC[6a]HH){1|H<1>,4|C<3>}	122.7230	0.000	1	122.7230	0.000	1	122.2714	2.073	46	121.8107	2.741	244	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(CH3){2|H<1>,3|C<3>}	122.0270	0.000	1	122.0270	0.000	1	122.2714	2.073	46	121.8107	2.741	244	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]H)(CC[6a]HH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C){3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]H)(CC[6a]HH){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	124.6770	0.000	1	124.6770	0.000	1	122.2714	2.073	46	121.8107	2.741	244	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCHH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCHH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	124.9730	0.000	1	124.9730	0.000	1	122.2714	2.073	46	121.8107	2.741	244	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CH3)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C){1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CH3){1|H<1>,1|N<2>,3|C<3>}	123.8105	0.470	4	123.8105	0.221	4	122.2714	2.073	46	121.8107	2.741	244	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]C){2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	124.1860	0.000	1	124.1860	0.000	1	122.2714	2.073	46	121.8107	2.741	244	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]HH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]HH){2|H<1>,2|O<2>,4|C<3>}	122.8075	0.368	2	123.4700	0.693	4	122.2714	2.073	46	121.8107	2.741	244	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]HH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]C){3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]HH){1|H<1>,1|O<2>,5|C<3>}	124.1325	0.435	2	123.4700	0.693	4	122.2714	2.073	46	121.8107	2.741	244	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CCHH)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]C){2|N<2>,2|O<1>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]H)(H){1|C<3>,1|S<4>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CCHH){1|H<1>,1|S<4>,2|C<3>}	123.0000	0.000	1	123.0000	0.000	1	122.2714	2.073	46	121.8107	2.741	244	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[6a]H)(CCHH)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[6a]H)(CCHH){1|H<1>,1|N<3>,5|C<3>}	123.3270	0.000	1	123.3270	0.000	1	122.2714	2.073	46	121.8107	2.741	244	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a](C[6,6a]N[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CCHH)	C[6,6a](C[6,6a]N[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|N<3>,2|O<1>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|S<4>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CCHH){1|C<3>,1|N<2>,1|S<4>,2|H<1>}	123.1395	0.011	2	123.1395	0.000	2	122.2714	2.073	46	121.8107	2.741	244	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:P-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]P)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6])(PO3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]P){2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|P<4>,2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6])(PO3){2|H<1>,7|C<3>}	121.7520	0.000	1	121.7520	0.000	1	120.7270	2.101	2	121.8107	2.741	244	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:P-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]P)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6])(PO3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]P){1|H<1>,1|O<2>,5|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)(H){1|C<4>,1|P<4>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6])(PO3){2|H<1>,7|C<3>}	119.7020	0.000	1	119.7020	0.000	1	120.7270	2.101	2	121.8107	2.741	244	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[3,5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(SC[6a]OO)	C[6,6a](C[6,6a]C[3,5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(SC[6a]OO){1|H<1>,2|C<4>,3|C<3>}	121.7100	0.000	1	121.7100	0.000	1	121.3272	1.576	62	121.8107	2.741	244	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO)	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO){1|H<1>,2|C<3>,3|C<4>}	122.9800	0.000	1	122.9800	0.000	1	121.3272	1.576	62	121.8107	2.741	244	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]HH)(SC[6a]OO)	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,2|C<4>,5|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]HH)(SC[6a]OO){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.4490	0.000	1	121.2337	0.462	3	121.3272	1.576	62	121.8107	2.741	244	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]HH)(SC[6a]OO)	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]HH)(SC[6a]OO){1|C<4>,2|H<1>,3|C<3>}	121.6260	0.028	2	121.2337	0.462	3	121.3272	1.576	62	121.8107	2.741	244	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(SC[6a]OO)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(SC[6a]OO){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	120.5420	0.000	1	121.4569	2.183	8	121.3272	1.576	62	121.8107	2.741	244	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(SC[6a]OO)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(SC[6a]OO){1|C<4>,1|H<1>,4|C<3>}	120.4150	0.000	1	121.4569	2.183	8	121.3272	1.576	62	121.8107	2.741	244	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(SC[6a]OO)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(SC[6a]OO){1|H<1>,2|C<4>,3|C<3>}	122.5400	0.000	1	121.4569	2.183	8	121.3272	1.576	62	121.8107	2.741	244	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(SC[6a]OO)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,2|C<4>,5|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(SC[6a]OO){1|C<4>,1|H<1>,4|C<3>}	121.2045	0.853	2	121.4569	2.183	8	121.3272	1.576	62	121.8107	2.741	244	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(SC[6a]OO)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,2|C<4>,5|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|S<4>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(SC[6a]OO){1|C<4>,1|H<1>,4|C<3>}	121.8900	0.000	1	121.4569	2.183	8	121.3272	1.576	62	121.8107	2.741	244	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(SC[6a]OO)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(SC[6a]OO){1|H<1>,2|C<3>,3|C<4>}	124.2420	0.000	1	121.4569	2.183	8	121.3272	1.576	62	121.8107	2.741	244	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(SC[6a]OO)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(SC[6a]OO){1|C<4>,1|H<1>,3|C<3>}	119.6170	0.000	1	121.4569	2.183	8	121.3272	1.576	62	121.8107	2.741	244	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(SC[6a]OO)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(SC[6a]OO){1|H<1>,2|C<3>,2|C<4>}	122.9940	0.000	1	122.9940	0.000	1	121.3272	1.576	62	121.8107	2.741	244	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CH)(SCOO)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CH)(SCOO){1|C<4>,1|H<1>,3|C<3>}	120.1330	0.000	1	120.1330	0.000	1	121.3272	1.576	62	121.8107	2.741	244	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(SC[6a]OO)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(SC[6a]OO){2|C<4>,2|H<1>,4|C<3>}	122.1480	0.000	1	122.2470	0.020	2	121.3272	1.576	62	121.8107	2.741	244	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(SC[6a]OO)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(SC[6a]OO){1|C<4>,2|H<1>,5|C<3>}	122.3460	0.000	1	122.2470	0.020	2	121.3272	1.576	62	121.8107	2.741	244	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,2|C<4>,5|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(SC[6a]OO){2|C<3>,2|C<4>,2|H<1>}	121.4060	0.000	1	122.2488	1.268	4	121.3272	1.576	62	121.8107	2.741	244	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(SC[6a]OO){1|C<2>,1|H<1>,2|C<3>,2|C<4>}	121.8450	0.214	2	122.2488	1.268	4	121.3272	1.576	62	121.8107	2.741	244	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(SC[6a]OO){1|H<1>,2|C<4>,3|C<3>}	123.8990	0.000	1	122.2488	1.268	4	121.3272	1.576	62	121.8107	2.741	244	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]2)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]2)(H){1|C<4>,1|H<1>,1|S<4>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(SC[6a]OO){1|H<1>,4|C<3>}	119.2920	0.000	1	119.2920	0.000	1	121.3272	1.576	62	121.8107	2.741	244	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|S<4>,2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(SC[6a]OO){1|H<1>,4|C<3>}	119.3680	0.000	1	119.3680	0.000	1	121.3272	1.576	62	121.8107	2.741	244	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO){2|H<1>,3|C<3>}	120.4090	0.000	1	120.1835	0.102	2	121.3272	1.576	62	121.8107	2.741	244	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO){2|H<1>,3|C<3>}	119.9580	0.000	1	120.1835	0.102	2	121.3272	1.576	62	121.8107	2.741	244	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Cl)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|Cl<1>,1|C<3>,3|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(SC[6a]OO){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	121.3300	0.000	1	121.3300	0.000	1	121.3272	1.576	62	121.8107	2.741	244	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(SC[6a]OO){1|H<1>,2|C<4>,3|C<3>}	123.4020	0.000	1	121.7275	5.608	2	121.3272	1.576	62	121.8107	2.741	244	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(SC[6a]OO){1|C<4>,1|H<1>,4|C<3>}	120.0530	0.000	1	121.7275	5.608	2	121.3272	1.576	62	121.8107	2.741	244	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(SC[6a]OO){1|C<4>,1|H<1>,6|C<3>}	120.2430	0.000	1	120.2430	0.000	1	121.3272	1.576	62	121.8107	2.741	244	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(SC[6a]OO){1|C<4>,1|H<1>,4|C<3>}	120.1500	0.342	2	120.1500	0.117	2	121.3272	1.576	62	121.8107	2.741	244	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,2|C<4>,5|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|S<4>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(SC[6a]OO){1|Si<3>,1|C<4>,2|C<3>,2|H<1>}	122.1740	0.000	1	121.3114	0.283	5	121.3272	1.576	62	121.8107	2.741	244	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,2|C<4>,5|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(SC[6a]OO){1|C<4>,1|H<1>,4|C<3>}	121.4450	0.000	1	121.3114	0.283	5	121.3272	1.576	62	121.8107	2.741	244	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(SC[6a]OO){1|H<1>,4|C<3>}	121.1190	0.000	1	121.3114	0.283	5	121.3272	1.576	62	121.8107	2.741	244	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(SC[6a]OO){1|C<4>,1|H<1>,3|C<3>}	120.8400	0.000	1	121.3114	0.283	5	121.3272	1.576	62	121.8107	2.741	244	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(SC[6a]OO){1|H<1>,2|C<4>,3|C<3>}	120.9790	0.000	1	121.3114	0.283	5	121.3272	1.576	62	121.8107	2.741	244	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|S<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO){1|H<1>,1|O<2>,4|C<3>}	122.9870	0.000	1	121.0442	1.480	12	121.3272	1.576	62	121.8107	2.741	244	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO){1|C<4>,2|H<1>,3|C<3>}	120.7480	0.000	1	121.0442	1.480	12	121.3272	1.576	62	121.8107	2.741	244	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,1|C<4>,6|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|S<4>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO){1|Si<4>,1|C<4>,2|C<3>,2|H<1>}	122.5765	0.074	2	121.0442	1.480	12	121.3272	1.576	62	121.8107	2.741	244	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,2|C<4>,5|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.5780	0.000	1	121.0442	1.480	12	121.3272	1.576	62	121.8107	2.741	244	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,2|C<4>,5|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO){1|C<4>,2|H<1>,3|C<3>}	120.6710	0.000	1	121.0442	1.480	12	121.3272	1.576	62	121.8107	2.741	244	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,2|C<4>,5|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO){1|Si<4>,1|C<4>,2|C<3>,2|H<1>}	121.1580	0.000	1	121.0442	1.480	12	121.3272	1.576	62	121.8107	2.741	244	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|S<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO){1|H<1>,1|O<2>,4|C<3>}	120.6360	0.000	1	121.0442	1.480	12	121.3272	1.576	62	121.8107	2.741	244	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO){1|C<4>,1|H<1>,3|C<3>}	119.2710	0.000	1	121.0442	1.480	12	121.3272	1.576	62	121.8107	2.741	244	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO){2|H<1>,3|C<3>}	120.5570	0.387	2	121.0442	1.480	12	121.3272	1.576	62	121.8107	2.741	244	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO){2|H<1>,3|C<3>}	119.2150	0.000	1	121.0442	1.480	12	121.3272	1.576	62	121.8107	2.741	244	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(SC[6a]OO){1|F<1>,1|H<1>,6|C<3>}	121.9380	0.000	1	121.4585	0.635	4	121.3272	1.576	62	121.8107	2.741	244	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(SC[6a]OO){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	120.2730	0.000	1	121.4585	0.635	4	121.3272	1.576	62	121.8107	2.741	244	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(SC[6a]OO){1|H<1>,1|N<3>,5|C<3>}	121.7080	0.000	1	121.4585	0.635	4	121.3272	1.576	62	121.8107	2.741	244	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(SC[6a]OO){2|H<1>,5|C<3>}	121.9150	0.000	1	121.4585	0.635	4	121.3272	1.576	62	121.8107	2.741	244	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|S<4>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	120.7200	0.000	1	120.7200	0.000	1	121.3272	1.576	62	121.8107	2.741	244	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]S){1|S<4>,2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|S<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO){1|H<1>,1|N<3>,3|C<3>}	119.9513	0.284	3	119.9513	0.081	3	121.3272	1.576	62	121.8107	2.741	244	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>,1|S<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(SC[6a]OO){1|H<1>,1|O<2>,4|C<3>}	123.5320	0.000	1	124.0000	0.438	2	121.3272	1.576	62	121.8107	2.741	244	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,1|S<4>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(SC[6a]OO){1|O<2>,2|C<3>,3|H<1>}	124.4680	0.000	1	124.0000	0.438	2	121.3272	1.576	62	121.8107	2.741	244	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,1|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>,1|S<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.9620	0.000	1	122.0350	0.011	2	121.3272	1.576	62	121.8107	2.741	244	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,1|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>,1|S<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO){1|O<2>,2|H<1>,3|C<3>}	122.1080	0.000	1	122.0350	0.011	2	121.3272	1.576	62	121.8107	2.741	244	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|S<2>,1|S<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(SC[6a]OO){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	121.5030	0.000	1	121.5030	0.000	1	121.3272	1.576	62	121.8107	2.741	244	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]S){1|N<3>,2|C<3>,2|O<1>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,2|S<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(SC[6a]OO){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	122.2030	0.000	1	122.2030	0.000	1	121.3272	1.576	62	121.8107	2.741	244	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:S[6]-4:C-4:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]S[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)(H)	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6,6a]OO)(CCHH)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]S[6]C){1|C<4>,1|H<1>,2|O<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6,6a]OO)(CCHH){1|H<1>,4|C<3>}	118.1580	0.000	1	118.3385	0.065	2	119.6978	0.687	34	121.8107	2.741	244	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:S[6]-4:C-4:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]S[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)(H)	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6,6a]OO)(CCHH)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]S[6]C){1|C<4>,1|H<1>,2|O<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)(H){1|C<4>,1|I<1>,1|S<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6,6a]OO)(CCHH){1|H<1>,4|C<3>}	118.5190	0.000	1	118.3385	0.065	2	119.6978	0.687	34	121.8107	2.741	244	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:S[6]-4:C-4:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]S[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6,6a]OO)(CH3)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]S[6]C){1|O<2>,2|C<3>,2|H<1>,2|O<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6,6a]OO)(CH3){1|H<1>,4|C<3>}	120.3590	0.000	1	120.3590	0.000	1	119.6978	0.687	34	121.8107	2.741	244	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:S[6]-4:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CCHH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]C){1|C<3>,1|C<4>,1|N<2>,2|H<1>,2|O<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CCHH){3|C<3>,3|H<1>}	119.9910	0.075	2	120.0020	0.668	11	119.6978	0.687	34	121.8107	2.741	244	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:S[6]-4:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CCHH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]C){1|C<3>,1|C<4>,2|H<1>,3|O<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|S<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CCHH){3|C<3>,3|H<1>}	120.3230	0.000	1	120.0020	0.668	11	119.6978	0.687	34	121.8107	2.741	244	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:S[6]-4:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CCHH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]C){1|C<3>,1|C<4>,2|H<1>,3|O<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CCHH){2|Br<1>,1|H<1>,3|C<3>}	118.8970	0.000	1	120.0020	0.668	11	119.6978	0.687	34	121.8107	2.741	244	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:S[6]-4:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CCHH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]C){1|C<3>,1|C<4>,2|H<1>,3|O<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CCHH){2|Cl<1>,1|H<1>,3|C<3>}	119.7090	0.000	1	120.0020	0.668	11	119.6978	0.687	34	121.8107	2.741	244	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:S[6]-4:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CCHH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]C){1|C<3>,1|C<4>,2|H<1>,3|O<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CCHH){3|C<3>,3|H<1>}	120.0760	0.000	1	120.0020	0.668	11	119.6978	0.687	34	121.8107	2.741	244	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:S[6]-4:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CCHH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]C){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CCHH){1|H<1>,4|C<3>}	119.9550	0.000	1	120.0020	0.668	11	119.6978	0.687	34	121.8107	2.741	244	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:S[6]-4:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CCHH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]C){1|O<2>,2|C<3>,2|H<1>,2|O<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CCHH){1|C<4>,1|H<1>,3|C<3>}	121.8210	0.000	1	120.0020	0.668	11	119.6978	0.687	34	121.8107	2.741	244	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:S[6]-4:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CCHH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]C){1|O<2>,2|C<3>,2|H<1>,2|O<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CCHH){1|H<1>,4|C<3>}	119.2240	0.294	2	120.0020	0.668	11	119.6978	0.687	34	121.8107	2.741	244	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:S[6]-4:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CCHH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]C){2|C<3>,2|H<1>,3|O<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CCHH){1|C<4>,1|H<1>,3|C<3>}	120.8110	0.000	1	120.0020	0.668	11	119.6978	0.687	34	121.8107	2.741	244	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:S[6]-4:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]C){1|C<3>,1|C<4>,1|N<2>,2|H<1>,2|O<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|S<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CH3){3|C<3>,3|H<1>}	119.5206	0.437	5	119.6333	0.562	20	119.6978	0.687	34	121.8107	2.741	244	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:S[6]-4:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]C){1|C<3>,1|C<4>,1|N<2>,2|H<1>,2|O<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CH3){1|Cl<1>,2|H<1>,3|C<3>}	119.0448	0.421	6	119.6333	0.562	20	119.6978	0.687	34	121.8107	2.741	244	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:S[6]-4:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]C){1|C<3>,1|C<4>,1|N<2>,2|H<1>,2|O<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CH3){3|C<3>,3|H<1>}	119.2243	0.396	3	119.6333	0.562	20	119.6978	0.687	34	121.8107	2.741	244	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:S[6]-4:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]C){1|C<3>,1|C<4>,2|H<1>,3|O<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|S<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CH3){2|Br<1>,1|H<1>,3|C<3>}	120.1940	0.000	1	119.6333	0.562	20	119.6978	0.687	34	121.8107	2.741	244	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:S[6]-4:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]C){1|C<3>,1|C<4>,2|H<1>,3|O<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|S<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CH3){2|Cl<1>,1|H<1>,3|C<3>}	120.0370	0.000	1	119.6333	0.562	20	119.6978	0.687	34	121.8107	2.741	244	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:S[6]-4:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]C){1|C<3>,1|C<4>,2|H<1>,3|O<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|S<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CH3){3|C<3>,3|H<1>}	120.4500	0.000	1	119.6333	0.562	20	119.6978	0.687	34	121.8107	2.741	244	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:S[6]-4:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]C){1|C<3>,1|C<4>,2|H<1>,3|O<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CH3){3|C<3>,3|H<1>}	120.1030	0.000	1	119.6333	0.562	20	119.6978	0.687	34	121.8107	2.741	244	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:S[6]-4:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]C){1|O<2>,2|C<3>,2|H<1>,2|O<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CH3){1|H<1>,4|C<3>}	121.1685	0.071	2	119.6333	0.562	20	119.6978	0.687	34	121.8107	2.741	244	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:Si[6]-4:C-4:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]Si[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(Si[6]Si[5]C[6]Cl)(CCHH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]Si[6]C){1|Cl<1>,1|Si<4>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|Si<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	N[6](C[6,6a]C[6,6a]C[6a])(Si[6]Si[5]C[6]Cl)(CCHH){1|Cl<1>,1|H<1>,2|C<3>,2|C<4>,3|N<3>}	121.9040	0.000	1	121.9040	0.000	1	121.9040	0.000	1	121.8107	2.741	244	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(N[6]C[6]C)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6,6a]N[6])(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6,6a]N[6])(H){3|C<3>,3|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3){1|C<4>,2|C<3>,3|H<1>}	120.0665	0.214	2	120.0665	0.046	2	120.0665	0.046	2	121.8107	2.741	244	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:6:4:	C[6,6a,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:Si[3x6]-6:C-4:	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(N[6]Si[3x6]C)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a,6a]H)(H)	N[6](C[6,6a]C[6,6a,6a]C[6a])(Si[3x6]N[6]2O[6]3)(CCHH)	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(N[6]Si[3x6]C)(C[6a]C[6a]H){1|H<1>,2|N<3>,3|C<3>,3|O<2>}	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a,6a]H)(H){1|Si<6>,1|C<4>,3|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(Si[3x6]N[6]2O[6]3)(CCHH){1|H<1>,2|C<4>,7|C<3>}	122.5030	0.622	3	122.5030	0.386	3	122.5030	0.386	3	122.5030	0.386	3	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[5,6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[5,6]C[5,6,6]N[5]H)(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[5,6]H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	N[6](C[5,6]C[5,6,6]N[5]H)(C[6,6a]C[6,6a]C[6a])(H){1|H<1>,3|C<4>,4|C<3>}	122.5995	0.175	2	122.5995	0.031	2	120.9244	2.294	9	120.9990	4.190	21	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[5,6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[5,6]C[5,6,6]O[5]H)(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[5,6]H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	N[6](C[5,6]C[5,6,6]O[5]H)(C[6,6a]C[6,6a]C[6a])(H){2|C<3>,2|H<1>,3|C<4>}	120.2550	0.000	1	120.2550	0.000	1	120.9244	2.294	9	120.9990	4.190	21	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	118.9810	0.000	1	118.7495	0.107	2	120.9244	2.294	9	120.9990	4.190	21	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	118.5180	0.000	1	118.7495	0.107	2	120.9244	2.294	9	120.9990	4.190	21	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[5,6]C[5,6a]C[5]O[6])(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H){1|O<2>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	N[6](C[5,6]C[5,6a]C[5]O[6])(C[6,6a]C[6,6a]C[6a])(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	120.6610	0.004	2	120.6610	0.000	2	120.9244	2.294	9	120.9990	4.190	21	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[5,6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[5,6]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(H){1|H<1>,1|N<3>,1|O<1>,6|C<3>}	121.7520	0.000	1	121.7520	0.000	1	120.9244	2.294	9	120.9990	4.190	21	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[5,6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[5,6]H){2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	N[6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6,6a]C[6,6a]C[6a])(H){1|H<1>,1|O<1>,2|N<3>,5|C<3>}	122.2930	0.000	1	122.2930	0.000	1	120.9244	2.294	9	120.9990	4.190	21	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6]-4:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6]C[6,6a]N[3x6]H)(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]H){2|C<3>,2|N<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6,6]C[6,6a]N[3x6]H)(C[6,6a]C[6,6a]C[6a])(H){1|C<4>,1|H<1>,5|C<3>}	121.9655	0.078	2	121.9655	0.006	2	120.1919	6.393	8	120.9990	4.190	21	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6]-4:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[5a,6a]H)(H)	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]H){2|H<1>,3|C<3>,3|C<4>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[5a,6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(H){2|C<4>,2|H<1>,4|C<3>}	116.5070	0.303	2	116.5070	0.092	2	120.1919	6.393	8	120.9990	4.190	21	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6]-4:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6]C[6,6]C[5a]O[6])(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	N[6](C[6,6]C[6,6]C[5a]O[6])(C[6,6a]C[6,6a]C[6a])(H){1|H<1>,1|O<2>,3|C<4>,4|C<3>}	120.2510	0.000	1	120.2510	0.000	1	120.1919	6.393	8	120.9990	4.190	21	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6]-4:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6]C[6,6a]C[3x6]H)(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6,6]C[6,6a]C[3x6]H)(C[6,6a]C[6,6a]C[6a])(H){2|C<4>,2|H<1>,4|C<3>}	119.7950	0.000	1	119.7950	0.000	1	120.1919	6.393	8	120.9990	4.190	21	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6]-4:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]H){2|C<3>,2|N<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(H){1|H<1>,2|C<4>,4|C<3>}	121.1790	0.000	1	121.1790	0.000	1	120.1919	6.393	8	120.9990	4.190	21	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6]-4:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6,6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6,6]H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(H){1|H<1>,1|O<2>,6|C<3>}	123.3650	0.000	1	123.3650	0.000	1	120.1919	6.393	8	120.9990	4.190	21	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[5,5,6,6]-4:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[5,5,6,6]H)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[5,5,6,6]C[5,6,6a]C[5,5,6]2)(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[5,5,6,6]H)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	N[6](C[5,5,6,6]C[5,6,6a]C[5,5,6]2)(C[6,6a]C[6,6a]C[6a])(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>,6|C<3>}	123.8210	0.000	1	123.8210	0.000	1	123.8210	0.000	1	120.9990	4.190	21	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[5,5,6]H)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[5,5,6]C[5,5,6,6]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[5,5,6]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	N[6](C[5,5,6]C[5,5,6,6]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6a])(H){1|H<1>,1|N<3>,2|C<4>,5|C<3>}	122.7730	0.000	1	122.7730	0.000	1	122.7730	0.000	1	120.9990	4.190	21	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[5,6,6]-4:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[5,6,6]H)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[5,6,6]C[5,5,6]C[5,6]N[6])(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[5,6,6]H)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[5,6,6]C[5,5,6]C[5,6]N[6])(C[6,6a]C[6,6a]C[6a])(H){2|H<1>,3|C<3>,6|C<4>}	122.2655	1.053	2	122.2655	1.109	2	122.2655	1.109	2	120.9990	4.190	21	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[5,6]C[5,6]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(CHHN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]C){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	N[6](C[5,6]C[5,6]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(CHHN){2|C<3>,2|C<4>,2|H<1>,2|N<3>}	122.1200	0.000	1	122.1200	0.000	1	122.1200	0.000	1	122.0424	0.702	11	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6]-4:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(CC[6a]HH)	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]C){1|C<3>,3|H<1>,4|C<4>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	N[6](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(CC[6a]HH){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	121.5930	0.000	1	121.5930	0.000	1	121.7597	0.266	6	122.0424	0.702	11	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6]-4:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6]C[6,6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a])(CC[6a]HH)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]C){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	N[6](C[6,6]C[6,6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a])(CC[6a]HH){1|C<4>,3|H<1>,5|C<3>}	121.3350	0.000	1	121.3350	0.000	1	121.7597	0.266	6	122.0424	0.702	11	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6]-4:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6]C[6,6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a])(CH3)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]C){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	N[6](C[6,6]C[6,6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a])(CH3){1|C<4>,3|H<1>,5|C<3>}	121.1360	0.000	1	121.6080	0.446	2	121.7597	0.266	6	122.0424	0.702	11	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6]-4:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6]C[6,6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a])(CH3)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]C){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,3|C<4>}	N[6](C[6,6]C[6,6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a])(CH3){1|H<1>,3|C<4>,5|C<3>}	122.0800	0.000	1	121.6080	0.446	2	121.7597	0.266	6	122.0424	0.702	11	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6]-4:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(CH3)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]C){2|C<3>,2|N<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(CH3){1|H<1>,2|C<4>,4|C<3>}	122.2070	0.478	2	122.2070	0.228	2	121.7597	0.266	6	122.0424	0.702	11	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6]-4:C[6,6a]-3:S-4:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]S)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(SC[6a]OO)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]S){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(SC[6a]OO){1|C<4>,2|H<1>,5|C<3>}	123.2555	1.351	2	123.2555	1.826	2	123.2555	1.826	2	122.0424	0.702	11	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[5,6,6]-4:C[6,6a]-3:S-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[5,6,6]S)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6,6a]C[6a])(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[5,6,6]S)(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	N[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6,6a]C[6a])(SC[6a]OO){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	121.4010	0.000	1	121.6385	0.113	2	121.6385	0.113	2	122.0424	0.702	11	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[5,6,6]-4:C[6,6a]-3:S-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[5,6,6]S)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6,6a]C[6a])(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[5,6,6]S)(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	N[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6,6a]C[6a])(SC[6a]OO){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	121.8760	0.000	1	121.6385	0.113	2	121.6385	0.113	2	122.0424	0.702	11	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:N-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(NH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]H){2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(NH){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,3|C<3>}	120.4730	0.000	1	120.4730	0.000	1	120.4730	0.000	1	119.6519	0.967	91	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]O)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a,6a]O)(OH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]O)(N[6]C[6]H){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a,6a]O)(OH){1|H<1>,1|O<2>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H){1|C<4>,2|O<2>,3|C<3>}	120.0280	0.000	1	120.0280	0.000	1	119.5533	0.568	81	119.6519	0.967	91	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)(OH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)(OH){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,1|O<2>,3|C<3>}	119.3885	0.043	2	119.3885	0.002	2	119.5533	0.568	81	119.6519	0.967	91	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)(OH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)(OH){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|O<2>,3|C<3>}	119.1795	0.473	2	119.0937	0.134	3	119.5533	0.568	81	119.6519	0.967	91	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)(OH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H){3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)(OH){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|O<2>,3|C<3>}	118.9220	0.000	1	119.0937	0.134	3	119.5533	0.568	81	119.6519	0.967	91	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OC)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H){2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|O<2>,3|C<3>}	119.9145	0.529	6	119.9145	0.280	6	119.5533	0.568	81	119.6519	0.967	91	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OC)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H){1|C<4>,2|O<2>,3|C<3>}	118.7090	0.000	1	118.7090	0.000	1	119.5533	0.568	81	119.6519	0.967	91	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OC)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H){1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(H){1|C<2>,1|C<4>,1|O<2>,4|C<3>}	118.2220	0.000	1	118.2220	0.000	1	119.5533	0.568	81	119.6519	0.967	91	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OC)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]S)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H){1|C<3>,1|N<3>,1|O<1>,1|S<1>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]S)(H){1|C<4>,1|O<2>,3|C<3>}	120.8780	0.000	1	120.8780	0.000	1	119.5533	0.568	81	119.6519	0.967	91	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OC[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H){2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OC[6]){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|O<2>,3|C<3>}	120.1080	0.000	1	120.1080	0.000	1	119.5533	0.568	81	119.6519	0.967	91	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OC[6a])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H){2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OC[6a]){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|O<2>,3|C<3>}	119.6470	0.000	1	119.6470	0.000	1	119.5533	0.568	81	119.6519	0.967	91	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OH){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,1|O<2>,3|C<3>}	119.5051	0.562	17	119.5403	0.327	21	119.5533	0.568	81	119.6519	0.967	91	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OH){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,1|O<2>,3|C<3>}	118.9340	0.000	1	119.5403	0.327	21	119.5533	0.568	81	119.6519	0.967	91	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H){3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OH){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,1|O<2>,3|C<3>}	119.9417	0.556	3	119.5403	0.327	21	119.5533	0.568	81	119.6519	0.967	91	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OH){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|O<2>,3|C<3>}	118.7267	0.233	3	119.5799	0.291	36	119.5533	0.568	81	119.6519	0.967	91	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H){1|Cl<1>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OH){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|O<2>,3|C<3>}	119.1640	0.175	3	119.5799	0.291	36	119.5533	0.568	81	119.6519	0.967	91	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OH){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|O<2>,3|C<3>}	119.0680	0.000	1	119.5799	0.291	36	119.5533	0.568	81	119.6519	0.967	91	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H){2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OH){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|O<2>,3|C<3>}	119.7289	0.478	29	119.5799	0.291	36	119.5533	0.568	81	119.6519	0.967	91	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OS)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H){2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OS){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|O<2>,3|C<3>}	121.1840	1.085	3	121.1840	1.176	3	119.5533	0.568	81	119.6519	0.967	91	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OY)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OY){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,1|O<2>,3|C<3>}	117.7280	0.000	1	117.7280	0.000	1	119.5533	0.568	81	119.6519	0.967	91	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OYb)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OYb){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,1|O<2>,3|C<3>}	118.2150	0.000	1	118.2150	0.000	1	119.5533	0.568	81	119.6519	0.967	91	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]I)(OH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H){1|I<1>,1|S<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]I)(OH){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|O<2>,3|C<3>}	118.3860	0.000	1	118.3860	0.000	1	119.5533	0.568	81	119.6519	0.967	91	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(OH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H){1|N<3>,1|S<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(OH){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|O<2>,3|C<3>}	117.5740	0.000	1	117.5740	0.000	1	119.5533	0.568	81	119.6519	0.967	91	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]O)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]O){2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OH){1|H<1>,1|O<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|H<1>,1|O<2>,3|C<3>}	120.8930	0.000	1	120.8930	0.000	1	120.8930	0.000	1	119.6519	0.967	91	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:S-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]S)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]S)(SC)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]S)(N[6]C[6]H){1|C<3>,1|C<4>,1|O<1>,2|S<2>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]S)(SC){1|H<1>,1|O<2>,1|S<2>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H){2|C<3>,2|H<1>,2|S<2>}	119.3965	0.306	2	119.3965	0.094	2	119.3965	0.094	2	119.6519	0.967	91	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a,6a]-3:C[6,6a]-3:C-2:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]C)(N[6]C[6,6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6])(CC)	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]C)(N[6]C[6,6a]H){1|C<2>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6])(CC){1|N<3>,2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(H){1|C<2>,1|F<1>,1|N<3>,4|C<3>}	119.6010	0.000	1	119.6010	0.000	1	119.6010	0.000	1	119.6519	0.967	91	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C-2:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]H)(C[6a]C[6a]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(CN)	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]H)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(CN){1|O<2>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])2(H){1|C<2>,1|H<1>,1|O<2>,4|C<3>}	123.9620	0.000	1	123.9620	0.000	1	123.8720	0.016	2	119.6519	0.967	91	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C-2:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]H)(C[6a]C[6a]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)(CN)	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]H)(C[6a]C[6a]C){1|C<2>,1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)(CN){1|F<1>,1|H<1>,1|O<2>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(H){1|C<2>,1|H<1>,1|O<2>,4|C<3>}	123.7820	0.000	1	123.7820	0.000	1	123.8720	0.016	2	119.6519	0.967	91	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N-2:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]N)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(NC)	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]N){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(NC){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])2(H){1|C<4>,2|N<2>,4|C<3>}	118.5090	0.130	2	118.5090	0.017	2	118.5090	0.017	2	119.6519	0.967	91	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]O)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OC)	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]O){1|Cl<1>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OC){1|H<1>,1|O<2>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(H){1|H<1>,1|O<2>,5|C<3>}	119.9830	0.000	1	119.9830	0.000	1	119.9830	0.000	1	119.6519	0.967	91	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]O)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OCo)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]O){2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OH){1|H<1>,1|O<2>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OCo){1|H<1>,1|O<2>,3|C<3>}	121.8160	0.000	1	121.8160	0.000	1	121.8160	0.000	1	121.8160	0.000	1	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6,6a]-3:C-3:	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C)(C[6a]C[6a]O)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OC)	N[6](C[6,6a]C[6,6a]C[6a])2(CCO)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C)(C[6a]C[6a]O){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OC){1|H<1>,1|N<2>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(CCO){1|H<1>,1|N<2>,1|O<2>,4|C<3>}	124.5330	0.000	1	124.5330	0.000	1	124.5330	0.000	1	122.7665	6.241	2	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:C-2:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a,6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6])(CC)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a,6a]C){1|C<2>,1|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6])(CC){1|H<1>,1|N<3>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|C<2>,1|N<3>,3|F<1>,6|C<3>}	121.0000	0.000	1	121.0000	0.000	1	121.0000	0.000	1	122.7665	6.241	2	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:2:	3:3:4:	C[6,6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(N[6]C[6,6a]C)(C[6a]C[6a]O)	C[6a](C[6,6a]C[6,6,6a]N[6])(C[6a]C[6a]H)(OH)	N[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CCHH)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(N[6]C[6,6a]C)(C[6a]C[6a]O){1|H<1>,1|N<3>,4|C<3>}	C[6a](C[6,6a]C[6,6,6a]N[6])(C[6a]C[6a]H)(OH){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CCHH){1|H<1>,1|O<2>,5|C<3>}	124.7830	0.000	1	124.7830	0.000	1	124.7830	0.000	1	123.4381	0.834	14	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:2:	3:3:4:	C[6,6a,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[6]C[6,6a]C)(C[6a]C[6a]O)	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a]H)(OC)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CCHH)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[6]C[6,6a]C)(C[6a]C[6a]O){1|H<1>,1|N<3>,4|C<3>}	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CCHH){1|H<1>,1|O<2>,5|C<3>}	123.2000	0.000	1	123.2000	0.000	1	123.2000	0.000	1	123.4381	0.834	14	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:2:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6,6a]-3:C-2:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6,6a]C)(N[6]C[6,6a]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6,6a]O[6])(CN)	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6,6a]C)(N[6]C[6,6a]C){1|C<2>,1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6,6a]O[6])(CN){1|C<4>,1|O<2>,1|S<2>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){1|C<2>,1|H<1>,1|S<2>,4|C<3>}	122.9050	0.000	1	122.9050	0.000	1	122.7210	0.068	2	123.4381	0.834	14	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:2:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6,6a]-3:C-2:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6,6a]C)(N[6]C[6,6a]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6,6a]S[6])(CN)	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6,6a]C)(N[6]C[6,6a]C){1|C<2>,1|S<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6,6a]S[6])(CN){1|C<4>,1|N<3>,1|S<2>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){1|C<2>,1|H<1>,1|S<2>,4|C<3>}	122.5370	0.000	1	122.5370	0.000	1	122.7210	0.068	2	123.4381	0.834	14	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:2:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OC)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(CC[6a]HH)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(N[6]C[6]C){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(CC[6a]HH){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	121.0690	0.000	1	121.0690	0.000	1	123.4708	0.874	10	123.4381	0.834	14	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:2:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OC)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC[6a]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]C){2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC[6a]HH){1|H<1>,1|O<2>,3|C<3>}	123.1810	0.000	1	123.1810	0.000	1	123.4708	0.874	10	123.4381	0.834	14	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:2:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC[6a]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]C){2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OH){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC[6a]HH){1|H<1>,1|O<2>,3|C<3>}	123.7662	0.500	5	123.7662	0.250	5	123.4708	0.874	10	123.4381	0.834	14	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:2:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]C){2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OH){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|H<1>,1|O<2>,3|C<3>}	123.8757	0.209	3	123.8757	0.044	3	123.4708	0.874	10	123.4381	0.834	14	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C-2:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6,6a]N[6])(C[6a]N[6a]N)(CN)	N[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]CC)(H)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(N[6]C[6]H){1|N<2>,2|C<3>,2|C<4>,2|N<3>}	C[6a](C[6,6a]C[6,6,6a]N[6])(C[6a]N[6a]N)(CN){1|C<4>,1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]CC)(H){1|C<2>,1|H<1>,3|C<3>}	122.4610	0.000	1	122.4610	0.000	1	122.4610	0.000	1	121.4700	1.395	7	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C-2:	C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6,6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]2)(CN)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2N[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6,6]H){1|N<3>,1|O<1>,2|C<3>,3|C<4>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]2)(CN){1|C<4>,2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2N[6])(H){1|C<2>,2|C<4>,3|C<3>,5|H<1>}	120.7580	0.000	1	120.7580	0.000	1	120.7580	0.000	1	121.4700	1.395	7	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C-2:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(CN)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]H){1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(CN){1|C<4>,1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(H){1|C<2>,1|H<1>,5|C<3>}	121.0780	0.000	1	121.0780	0.000	1	121.4142	1.717	5	121.4700	1.395	7	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C-2:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]S)(CN)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]H){1|C<4>,1|N<2>,1|N<3>,1|S<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]S)(CN){1|C<4>,1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(H){1|C<2>,1|H<1>,5|C<3>}	120.9240	0.000	1	120.9240	0.000	1	121.4142	1.717	5	121.4700	1.395	7	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C-2:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]F)(CN)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(N[6]C[6]H){1|C<2>,1|C<3>,1|C<4>,1|F<1>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]F)(CN){1|C<3>,1|C<4>,1|F<1>,1|H<1>,1|N<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H){1|C<2>,1|N<3>,2|C<3>,2|H<1>}	122.7105	0.183	2	122.7105	0.034	2	121.4142	1.717	5	121.4700	1.395	7	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C-2:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]C)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]F)(CN)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]C)(N[6]C[6]H){1|C<2>,1|C<4>,1|F<1>,1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]F)(CN){1|C<3>,1|C<4>,1|F<1>,1|H<1>,1|S<2>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H){1|C<2>,1|S<2>,2|C<3>,2|H<1>}	119.6480	0.000	1	119.6480	0.000	1	121.4142	1.717	5	121.4700	1.395	7	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5,6a]-3:C[6,6a]-3:C-3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[5,6a]C)(N[6]C[6,6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6a]N[6])(COO)	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[5,6a]C)(N[6]C[6,6a]H){1|C<4>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6a]N[6])(COO){1|C<4>,1|S<2>,3|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])2(H){1|H<1>,1|S<2>,5|C<3>}	120.1050	0.000	1	120.1050	0.000	1	120.1050	0.000	1	121.0314	1.007	39	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6,6a]-3:C-3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6,6a]C)(N[6]C[6,6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6,6a]N[6])(COO)	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6,6a]C)(N[6]C[6,6a]H){1|C<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6,6a]N[6])(COO){1|C<4>,1|S<2>,3|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])2(H){1|H<1>,1|S<2>,5|C<3>}	120.7890	0.393	2	120.7890	0.155	2	120.7890	0.155	2	121.0314	1.007	39	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(COO)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C)(N[6]C[6]H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(COO){1|O<2>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H){1|C<4>,2|O<2>,3|C<3>}	122.8590	0.000	1	122.8590	0.000	1	122.8590	0.000	1	121.0314	1.007	39	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]O)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(CC[6a]O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]O){2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(CC[6a]O){1|H<1>,1|O<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|H<1>,4|C<3>}	119.4895	0.844	2	119.4895	0.712	2	119.4895	0.712	2	121.0314	1.007	39	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N[6a])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(N[6]C[6]H){1|N<2>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	122.1310	0.246	2	122.1310	0.061	2	122.1310	0.061	2	121.0314	1.007	39	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(N[6]C[6]O)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6,6a]C[6a])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(N[6]C[6]O){4|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6,6a]C[6a])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|H<1>,4|C<3>}	121.4390	0.065	2	121.4390	0.004	2	121.4390	0.004	2	121.0314	1.007	39	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:N-3:	C[5,6]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[5,6]O)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(NHS)	N[6](C[5,6]C[5,6a]C[5,6])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[5,6]O){3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(NHS){1|H<1>,1|O<1>,3|C<3>}	N[6](C[5,6]C[5,6a]C[5,6])(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,2|N<3>,4|C<3>}	121.0305	0.590	2	121.0305	0.349	2	121.0305	0.349	2	121.0314	1.007	39	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(NCH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]H){2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	120.7536	0.371	5	120.7536	0.138	5	120.7056	0.085	8	121.0314	1.007	39	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(NC[6a]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]H){2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(NC[6a]C){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	120.7240	0.000	1	120.7240	0.000	1	120.7056	0.085	8	121.0314	1.007	39	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(NHH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]H){2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(NHH){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	120.5765	0.016	2	120.5765	0.000	2	120.7056	0.085	8	121.0314	1.007	39	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]N)(N[6]C[6]O)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(NHS)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]H)(O)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]N)(N[6]C[6]O){3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(NHS){1|H<1>,1|O<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]H)(O){1|N<3>,4|C<3>}	121.5600	0.000	1	121.5600	0.000	1	122.3200	0.411	5	121.0314	1.007	39	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]O)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(NCH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]O){2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(NCH){1|H<1>,1|O<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|H<1>,1|N<3>,3|C<3>}	122.9670	0.000	1	122.9670	0.000	1	122.3200	0.411	5	121.0314	1.007	39	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]O)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(NHS)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]O){2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(NHS){1|C<4>,1|O<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|H<1>,1|N<3>,3|C<3>}	122.8630	0.000	1	122.8630	0.000	1	122.3200	0.411	5	121.0314	1.007	39	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]O)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(NHS)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]O){3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(NHS){1|H<1>,1|O<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(O){1|H<1>,1|N<3>,5|C<3>}	122.4670	0.000	1	122.4670	0.000	1	122.3200	0.411	5	121.0314	1.007	39	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]O)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(NOO)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]O){2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(NOO){1|H<1>,1|O<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|H<1>,1|N<3>,3|C<3>}	121.7430	0.000	1	121.7430	0.000	1	122.3200	0.411	5	121.0314	1.007	39	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:N[5]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N[5])(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(N[5]C[5]2)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N[5])(N[6]C[6]H){4|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(N[5]C[5]2){2|C<4>,2|H<1>,2|O<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	120.7920	0.000	1	120.7920	0.000	1	120.7920	0.000	1	121.0314	1.007	39	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N[6])(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(N[6]C[6]2)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N[6])(N[6]C[6]H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(N[6]C[6]2){2|C<3>,3|C<4>,6|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	121.3020	0.000	1	121.3020	0.000	1	121.3020	0.000	1	121.0314	1.007	39	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N[6])(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(N[6]C[6]S[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N[6])(N[6]C[6]H){1|S<4>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(N[6]C[6]S[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,2|O<1>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	119.0840	1.004	2	119.0840	1.008	2	119.0840	1.008	2	121.0314	1.007	39	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C-3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[5a,6a]S[6])(N[6]C[6,6a]H)(C[6a]C[6a]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[5a,6a]C[6a])(COO)	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[5a,6a]S[6])(N[6]C[6,6a]H)(C[6a]C[6a]C){1|N<3>,4|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[5a,6a]C[6a])(COO){1|H<1>,1|S<2>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(H){1|H<1>,1|S<2>,5|C<3>}	121.2517	0.207	3	121.2517	0.043	3	121.2517	0.043	3	121.0314	1.007	39	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6,6a]-3:N[6]-3:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6a]C[6a,6a]N[6])(C[6,6a]C[6a]N[6])(N[6]C[6,6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6])(N[6]C[6,6a]2)	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6a]C[6a,6a]N[6])(C[6,6a]C[6a]N[6])(N[6]C[6,6a]H){1|C<4>,1|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6])(N[6]C[6,6a]2){1|N<3>,2|H<1>,8|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(H){1|H<1>,2|N<3>,4|C<3>}	121.5850	0.000	1	120.6145	1.884	2	121.0648	0.935	4	121.0314	1.007	39	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6,6a]-3:N[6]-3:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6a]C[6a,6a]N[6])(C[6,6a]C[6a]N[6])(N[6]C[6,6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6])(N[6]C[6,6a]2)	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6a]C[6a,6a]N[6])(C[6,6a]C[6a]N[6])(N[6]C[6,6a]H){1|C<4>,1|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6])(N[6]C[6,6a]2){1|N<3>,2|H<1>,8|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(H){2|N<3>,5|C<3>}	119.6440	0.000	1	120.6145	1.884	2	121.0648	0.935	4	121.0314	1.007	39	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6,6a]-3:N[6]-3:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6a]C[6a,6a]N[6])(C[6,6a]C[6a]O[6])(N[6]C[6,6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6])(N[6]C[6,6a]2)	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6a]C[6a,6a]N[6])(C[6,6a]C[6a]O[6])(N[6]C[6,6a]H){1|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6])(N[6]C[6,6a]2){1|O<2>,2|H<1>,8|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(H){1|N<3>,1|O<2>,5|C<3>}	121.5150	0.331	2	121.5150	0.110	2	121.0648	0.935	4	121.0314	1.007	39	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6,6a]-3:N[6]-3:	C[6a,6a]-3:C[6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6a]C[6a,6a]C[6a])(C[6,6a]C[6a]N[6])(N[6]C[6,6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]N[6])	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6a]C[6a,6a]C[6a])(C[6,6a]C[6a]N[6])(N[6]C[6,6a]H){1|C<4>,1|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]N[6]){2|H<1>,2|N<3>,7|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(H){2|N<3>,5|C<3>}	119.7490	0.000	1	119.7490	0.000	1	120.6610	0.804	3	121.0314	1.007	39	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6,6a]-3:N[6]-3:	C[6a,6a]-3:C[6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(N[6]C[6,6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]N[6])	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(N[6]C[6,6a]H){1|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]N[6]){1|N<3>,1|O<2>,2|H<1>,7|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(H){1|N<3>,1|O<2>,5|C<3>}	121.1170	0.601	2	121.1170	0.361	2	120.6610	0.804	3	121.0314	1.007	39	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[6]C[6,6a]C)(C[6a]C[6a]N)	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a]H)(NOO)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CCHH)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[6]C[6,6a]C)(C[6a]C[6a]N){1|H<1>,1|N<3>,4|C<3>}	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a]H)(NOO){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CCHH){1|H<1>,1|N<3>,5|C<3>}	124.2267	0.363	4	124.2267	0.132	4	124.2267	0.132	4	123.8887	0.417	6	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:B-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]B)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(BC[6a]2)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]B)(N[6]C[6]C){2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(BC[6a]2){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|B<3>,1|H<1>,3|C<3>}	122.8130	0.000	1	122.8130	0.000	1	122.8130	0.000	1	123.8887	0.417	6	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a,6a]-3:C[6,6a]-3:C-3:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a,6a]C)(N[6]C[6,6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6])(CCH)	N[6](C[6,6a]C[6,6a]C[6a])2(CH3)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a,6a]C)(N[6]C[6,6a]C){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6])(CCH){1|C<4>,1|H<1>,1|S<2>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(CH3){1|H<1>,1|S<2>,5|C<3>}	123.6120	0.000	1	123.6120	0.000	1	123.6120	0.000	1	123.8887	0.417	6	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[5a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5a]C[6a])(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[5a]C[5a]S[5a])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5a]C[6a])(N[6]C[6]H){1|C<2>,1|C<4>,1|S<2>,2|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[5a]C[5a]S[5a])(C[6a]C[6a]H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H){1|C<4>,2|H<1>,3|C<3>}	121.0130	0.000	1	121.0130	0.000	1	121.0130	0.000	1	122.3950	2.285	9	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]C)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(CC[6a]O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]C)(N[6]C[6]H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(CC[6a]O){1|Cl<1>,1|C<3>,1|H<1>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H){1|C<4>,1|O<2>,6|C<3>}	121.1165	0.088	2	121.1165	0.008	2	121.1165	0.008	2	122.3950	2.285	9	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]2)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]2)(N[6]C[6]H){1|C<4>,1|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|N<2>,3|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(H){1|N<2>,6|C<3>}	121.8970	0.000	1	121.8970	0.000	1	121.8970	0.000	1	122.3950	2.285	9	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(NOO)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(NOO){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H){1|N<3>,2|C<4>,3|C<3>}	125.0130	0.000	1	125.0130	0.000	1	124.3070	0.507	3	122.3950	2.285	9	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(NOO)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]H){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(NOO){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H){1|N<3>,2|H<1>,3|C<3>}	123.9540	0.516	2	123.9540	0.266	2	124.3070	0.507	3	122.3950	2.285	9	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:3:	3:4:1:	N[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]H)	C[6a](C[6,6a]N[6,6a]N[6])(C[6a]C[6a]2)(CC[6a]O)	N[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6]HH)(H)	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]H){1|O<1>,3|C<3>,4|H<1>}	C[6a](C[6,6a]N[6,6a]N[6])(C[6a]C[6a]2)(CC[6a]O){2|C<4>,2|H<1>,3|C<3>}	N[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6]HH)(H){1|C<4>,1|H<1>,3|C<3>}	121.6380	0.000	1	121.6380	0.000	1	121.7455	0.023	2	122.3950	2.285	9	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:3:	3:4:1:	N[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]H)	C[6a](C[6,6a]N[6,6a]N[6])(C[6a]C[6a]H)(CC[6a]O)	N[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6]HH)(H)	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]H){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	C[6a](C[6,6a]N[6,6a]N[6])(C[6a]C[6a]H)(CC[6a]O){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6]HH)(H){1|C<4>,2|H<1>,3|C<3>}	121.8530	0.000	1	121.8530	0.000	1	121.7455	0.023	2	122.3950	2.285	9	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:3:	3:4:3:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a,6a]C[6a])(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6,6a])	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]HH)(CN[6]O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a,6a]C[6a])(N[6]C[6]C){1|C<4>,2|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6,6a]){1|C<4>,1|H<1>,1|N<3>,8|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]HH)(CN[6]O){2|H<1>,4|C<3>}	119.6410	0.438	2	119.6410	0.192	2	119.6410	0.192	2	120.5107	2.365	3	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[5,6]-4:N-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[5,6]N)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(NHS)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(NCC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[5,6]N){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(NHS){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(NCC){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	122.2500	0.000	1	122.2500	0.000	1	122.2500	0.000	1	120.5107	2.365	3	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]2)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]2)(N[6]C[6]C){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH){1|O<2>,2|H<1>,3|C<3>}	120.9630	0.000	1	120.9630	0.000	1	120.9630	0.000	1	120.9630	0.000	1	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Cl)(CH3)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]H){2|Cl<1>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Cl)(CH3){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|C<4>,1|H<1>,3|C<3>}	118.1870	0.000	1	118.1870	0.000	1	120.3813	1.118	14	120.4615	1.224	17	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(CF3)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(CF3){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	121.4862	0.318	4	121.4862	0.101	4	120.3813	1.118	14	120.4615	1.224	17	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(CH3)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]H){3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(CH3){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6])(H){1|C<4>,1|H<1>,5|C<3>}	120.1920	0.000	1	120.1920	0.000	1	120.3813	1.118	14	120.4615	1.224	17	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(CH3)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]H){3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(CH3){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(H){1|C<4>,1|H<1>,5|C<3>}	119.4230	0.057	2	119.4230	0.003	2	120.3813	1.118	14	120.4615	1.224	17	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(CH3)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]H){3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(CH3){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|C<4>,1|H<1>,3|C<3>}	120.1190	0.000	1	120.1190	0.000	1	120.3813	1.118	14	120.4615	1.224	17	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(CH3)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]H){2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(CH3){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	120.7233	0.453	4	120.7233	0.205	4	120.3813	1.118	14	120.4615	1.224	17	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(CH3)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,1|I<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H){2|C<3>,2|C<4>,2|H<1>}	119.1560	0.000	1	119.1560	0.000	1	120.3813	1.118	14	120.4615	1.224	17	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:Ga-4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Ga)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(GaCl3)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Ga)(N[6]C[6]H){2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(GaCl3){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|Ga<4>,1|H<1>,3|C<3>}	120.9200	0.000	1	120.9200	0.000	1	120.9200	0.000	1	120.4615	1.224	17	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:N-4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(NH3)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]H){2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(NH3){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<4>,3|C<3>}	122.3000	0.000	1	122.3000	0.000	1	122.3000	0.000	1	120.4615	1.224	17	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(CH3)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]C){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(CH3){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(H){3|C<4>,4|C<3>}	119.2870	0.000	1	119.2870	0.000	1	119.2870	0.000	1	120.4615	1.224	17	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6,6a]C)	C[6a](C[6,6a]C[6,6a]N[6])2(CH3)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6,6a]C){1|H<1>,1|N<3>,2|C<4>,5|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])2(CH3){2|C<4>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){2|C<4>,3|H<1>,6|C<3>}	119.7480	0.540	2	119.7480	0.292	2	119.7480	0.292	2	120.4850	1.814	4	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(CH3)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]C){2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(CH3){1|H<1>,1|O<2>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|C<4>,1|O<2>,3|H<1>,6|C<3>}	122.4420	0.000	1	122.4420	0.000	1	121.2220	2.977	2	120.4850	1.814	4	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]C){2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(CCCH){1|H<1>,1|S<2>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|C<4>,1|S<2>,3|H<1>,6|C<3>}	120.0020	0.000	1	120.0020	0.000	1	121.2220	2.977	2	120.4850	1.814	4	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(CH3)	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(CH3){1|S<2>,2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){1|S<2>,2|C<4>,4|C<3>}	121.4790	0.569	2	121.4790	0.323	2	121.4790	0.323	2	121.4790	0.323	2	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]C)(N[6]C[6,6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(CH3)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]C)(N[6]C[6,6]H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(H){2|C<3>,3|C<4>,4|H<1>}	120.1400	0.000	1	120.1400	0.000	1	120.8805	1.097	2	121.0763	2.955	6	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C)(N[6]C[6,6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(CH3)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C)(N[6]C[6,6]H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,3|C<3>}	121.6210	0.000	1	121.6210	0.000	1	120.8805	1.097	2	121.0763	2.955	6	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(CH3)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]H){1|C<3>,3|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,1|I<1>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H){2|C<3>,2|C<4>,2|H<1>}	119.4040	0.472	2	119.4040	0.223	2	120.3727	2.927	3	121.0763	2.955	6	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(CH3)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C)(N[6]C[6]H){2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]C)(H){1|C<4>,1|O<1>,1|O<2>,4|C<3>}	122.3100	0.000	1	122.3100	0.000	1	120.3727	2.927	3	121.0763	2.955	6	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:4:1:	N[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[5,6]-4:H-1:	C[6,6a](N[6,6a]C[5,6]C[6a])(C[6a]C[6a]C)(N[6]C[5,6]H)	C[6a](C[6,6a]N[6,6a]N[6])(C[6a]N[6a]O)(CH3)	N[6](C[6,6a]N[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)	C[6,6a](N[6,6a]C[5,6]C[6a])(C[6a]C[6a]C)(N[6]C[5,6]H){1|N<3>,1|O<2>,2|C<4>,2|H<1>,2|O<1>}	C[6a](C[6,6a]N[6,6a]N[6])(C[6a]N[6a]O)(CH3){1|C<3>,1|H<1>,3|C<4>}	N[6](C[6,6a]N[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	123.5790	0.000	1	123.5790	0.000	1	123.5790	0.000	1	121.0763	2.955	6	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6,6a]H)(CCHH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(N[6]C[6]C){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6,6a]H)(CCHH){1|C<3>,4|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH){2|C<3>,2|C<4>,2|H<1>}	118.7350	0.000	1	120.7370	3.029	3	120.7370	3.029	3	120.7433	2.020	4	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6,6a]H)(CCHH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(N[6]C[6]C){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6,6a]H)(CCHH){2|C<3>,3|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH){2|C<3>,2|C<4>,2|H<1>}	121.7380	0.216	2	120.7370	3.029	3	120.7370	3.029	3	120.7433	2.020	4	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:4:4:	N[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a,6a]-3:C-4:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a,6a]C)(N[6]C[6]C)	C[6a](C[6,6a]N[6,6a]N[6])(C[6a,6a]C[6a,6a]2)(CCHH)	N[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6]HH)(CCHH)	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a,6a]C)(N[6]C[6]C){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6a](C[6,6a]N[6,6a]N[6])(C[6a,6a]C[6a,6a]2)(CCHH){3|C<4>,4|C<3>}	N[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6]HH)(CCHH){2|C<3>,2|C<4>,2|H<1>}	120.7620	0.000	1	120.7620	0.000	1	120.7620	0.000	1	120.7433	2.020	4	121.0976	2.375	3149	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a,6a]-3:C[6a]-3:O[6]-2:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6,6a]C[6,6a,6a]O[6])(C[6a]C[6a]F)(N[6]C[6]2)	C[6,6a](C[6,6a,6a]C[6a,6a]N[6,6a])(C[6a]C[6a]N[6])(O[6]C[6])	N[6](C[6a]C[6,6a]C[6a])(C[6]C[6]HH)2	C[6a](C[6,6a]C[6,6a,6a]O[6])(C[6a]C[6a]F)(N[6]C[6]2){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	C[6,6a](C[6,6a,6a]C[6a,6a]N[6,6a])(C[6a]C[6a]N[6])(O[6]C[6]){1|F<1>,2|H<1>,3|C<3>,3|C<4>}	N[6](C[6a]C[6,6a]C[6a])(C[6]C[6]HH)2{1|F<1>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	122.0667	1.421	8	122.2153	1.965	9	122.2153	1.965	9	122.2153	1.965	9	121.0031	4.168	28	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a,6a]-3:C[6a]-3:O[6]-2:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6,6a]C[6,6a,6a]O[6])(C[6a]C[6a]F)(N[6]C[6]2)	C[6,6a](C[6,6a,6a]C[6a,6a]N[6,6a])(C[6a]C[6a]N[6])(O[6]C[6])	N[6](C[6a]C[6,6a]C[6a])(C[6]C[6]HH)2	C[6a](C[6,6a]C[6,6a,6a]O[6])(C[6a]C[6a]F)(N[6]C[6]2){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	C[6,6a](C[6,6a,6a]C[6a,6a]N[6,6a])(C[6a]C[6a]N[6])(O[6]C[6]){1|F<1>,2|H<1>,3|C<3>,3|C<4>}	N[6](C[6a]C[6,6a]C[6a])(C[6]C[6]HH)2{1|F<1>,1|N<4>,1|O<2>,2|C<3>,4|H<1>}	123.4040	0.000	1	122.2153	1.965	9	122.2153	1.965	9	122.2153	1.965	9	121.0031	4.168	28	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6a]-3:C[6,6a]-3:N[6]-3:	C[6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6])(N[6]C[6,6a]2)	C[6,6a](C[6a]C[6a,6a]N[6])(C[6,6a]C[6a]N[6])(N[6]C[6,6a]H)	N[6](C[6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6])(N[6]C[6,6a]2){1|N<3>,2|H<1>,8|C<3>}	C[6,6a](C[6a]C[6a,6a]N[6])(C[6,6a]C[6a]N[6])(N[6]C[6,6a]H){1|C<4>,1|H<1>,6|C<3>}	N[6](C[6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])2{2|H<1>,2|N<3>,7|C<3>}	119.3625	0.716	2	119.3625	0.513	2	118.5470	1.340	4	118.5470	1.340	4	121.0031	4.168	28	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6a]-3:C[6,6a]-3:N[6]-3:	C[6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6])(N[6]C[6,6a]2)	C[6,6a](C[6a]C[6a,6a]N[6])(C[6,6a]C[6a]O[6])(N[6]C[6,6a]H)	N[6](C[6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6])(N[6]C[6,6a]2){1|O<2>,2|H<1>,8|C<3>}	C[6,6a](C[6a]C[6a,6a]N[6])(C[6,6a]C[6a]O[6])(N[6]C[6,6a]H){1|H<1>,6|C<3>}	N[6](C[6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])2{1|N<3>,1|O<2>,2|H<1>,7|C<3>}	117.7315	0.920	2	117.7315	0.846	2	118.5470	1.340	4	118.5470	1.340	4	121.0031	4.168	28	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:S[6]-4:C[6]-3:	C[6a](C[6,6a]C[6,6a]N[6])(N[6]C[6]S[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N[6])(N[6]C[6]H)	N[6](C[6a]C[6,6a]C[6a])(S[6]C[6,6a]OO)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(N[6]C[6]S[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,2|O<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N[6])(N[6]C[6]H){1|S<4>,3|C<3>,4|H<1>}	N[6](C[6a]C[6,6a]C[6a])(S[6]C[6,6a]OO)(C[6]C[6]C){1|N<3>,2|H<1>,4|C<3>}	119.6600	1.341	2	119.6600	1.797	2	119.6600	1.797	2	119.6600	1.797	2	121.0031	4.168	28	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H)(N[6]C[6]2)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]N[6])	N[6](C[6a]C[6,6a]C[6a])(C[6]C[6]HH)2	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H)(N[6]C[6]2){1|Cl<1>,1|N<3>,2|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]N[6]){3|C<4>,3|H<1>,4|C<3>}	N[6](C[6a]C[6,6a]C[6a])(C[6]C[6]HH)2{1|O<2>,3|C<3>,5|H<1>}	119.3460	0.000	1	119.6250	0.129	3	119.4345	0.231	4	121.0157	3.118	9	121.0031	4.168	28	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H)(N[6]C[6]2)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]N[6])	N[6](C[6a]C[6,6a]C[6a])(C[6]C[6]HH)2	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H)(N[6]C[6]2){1|N<3>,2|C<4>,3|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]N[6]){3|C<4>,3|H<1>,4|C<3>}	N[6](C[6a]C[6,6a]C[6a])(C[6]C[6]HH)2{1|C<4>,3|C<3>,5|H<1>}	120.0310	0.000	1	119.6250	0.129	3	119.4345	0.231	4	121.0157	3.118	9	121.0031	4.168	28	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H)(N[6]C[6]2)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]N[6])	N[6](C[6a]C[6,6a]C[6a])(C[6]C[6]HH)2	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H)(N[6]C[6]2){1|N<3>,3|C<3>,3|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]N[6]){3|C<4>,3|H<1>,4|C<3>}	N[6](C[6a]C[6,6a]C[6a])(C[6]C[6]HH)2{1|O<2>,3|C<3>,5|H<1>}	119.4980	0.000	1	119.6250	0.129	3	119.4345	0.231	4	121.0157	3.118	9	121.0031	4.168	28	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H)(N[6]C[6]2)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]N[6])	N[6](C[6a]C[6,6a]C[6a])(C[6]C[6]HH)2	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H)(N[6]C[6]2){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]N[6]){3|C<3>,3|C<4>,3|H<1>}	N[6](C[6a]C[6,6a]C[6a])(C[6]C[6]HH)2{1|O<2>,3|C<3>,5|H<1>}	118.8630	0.000	1	118.8630	0.000	1	119.4345	0.231	4	121.0157	3.118	9	121.0031	4.168	28	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(N[6]C[6]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N[6])(N[6]C[6]H)	N[6](C[6a]C[6,6a]C[6a])(C[6]C[6]HH)2	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(N[6]C[6]2){2|C<3>,3|C<4>,6|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N[6])(N[6]C[6]H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	N[6](C[6a]C[6,6a]C[6a])(C[6]C[6]HH)2{1|N<3>,1|N<4>,2|C<3>,5|H<1>}	120.2570	0.000	1	120.2570	0.000	1	120.2570	0.000	1	121.0157	3.118	9	121.0031	4.168	28	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6a]-3:C[6,6a]-3:C[6]-3:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6]C[6]2)	C[6,6a](C[6a]C[6a,6a]N[6])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)	N[6](C[6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6]C[6]2){1|N<2>,1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[6,6a](C[6a]C[6a,6a]N[6])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O){1|N<2>,1|N<3>,1|O<1>,2|C<4>,3|C<3>}	N[6](C[6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)2{1|C<4>,1|N<2>,3|C<3>,4|H<1>}	122.7865	0.614	4	122.7865	0.377	4	122.7865	0.377	4	121.0157	3.118	9	121.0031	4.168	28	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]F)(N[6]C[6]2)	C[6,6a](C[6,6a,6a]C[6a,6a]N[6,6a])(C[6a]C[6a]N[6])(C[6]C[6]HH)	N[6](C[6a]C[6,6a]C[6a])(C[6]C[6]HH)2	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]F)(N[6]C[6]2){1|C<3>,1|N<3>,3|C<4>,7|H<1>}	C[6,6a](C[6,6a,6a]C[6a,6a]N[6,6a])(C[6a]C[6a]N[6])(C[6]C[6]HH){1|F<1>,1|H<1>,3|C<3>,4|C<4>}	N[6](C[6a]C[6,6a]C[6a])(C[6]C[6]HH)2{1|F<1>,2|C<3>,2|C<4>,4|H<1>}	118.8170	0.000	1	118.8170	0.000	1	118.8170	0.000	1	119.0650	0.123	2	121.0031	4.168	28	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(N[6]C[6]2)	C[6,6a](C[6,6a]C[6,6a]O[6a])(C[6a]C[6a]N[6])(C[6]S[6]HH)	N[6](C[6a]C[6,6a]C[6a])(C[6]C[6]HH)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(N[6]C[6]2){1|C<3>,1|O<1>,1|O<2>,1|S<2>,2|C<4>,6|H<1>}	C[6,6a](C[6,6a]C[6,6a]O[6a])(C[6a]C[6a]N[6])(C[6]S[6]HH){1|C<2>,2|C<4>,3|C<3>}	N[6](C[6a]C[6,6a]C[6a])(C[6]C[6]HH)2{1|C<2>,2|C<3>,2|C<4>,4|H<1>}	119.3130	0.000	1	119.3130	0.000	1	119.3130	0.000	1	119.0650	0.123	2	121.0031	4.168	28	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	4:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[5,6]-4:C[6a]-3:C[6]-3:	C[6a](C[6,6a]C[6,6a]C[6])(N[6]C[5,6]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N[6])(C[6]C[5]C[6]O)	N[6](C[5,6]C[5]C[6]O[5])(C[6a]C[6,6a]C[6a])(C[6]C[5,6]O)	C[6a](C[6,6a]C[6,6a]C[6])(N[6]C[5,6]C[6])(C[6a]C[6a]H){1|H<1>,1|O<1>,2|O<2>,3|C<3>,4|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N[6])(C[6]C[5]C[6]O){1|O<2>,2|C<4>,3|C<3>,7|H<1>}	N[6](C[5,6]C[5]C[6]O[5])(C[6a]C[6,6a]C[6a])(C[6]C[5,6]O){1|N<3>,1|O<1>,3|C<3>,3|C<4>,3|H<1>}	123.6850	1.754	2	123.6850	3.075	2	123.6850	3.075	2	123.6850	3.075	2	121.0031	4.168	28	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N[6]	3:2:3:	3:3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:N[6]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(N[6]C[6,6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]2)(C[6a]N[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(N[6]C[6,6a]2){1|H<1>,8|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]2)(C[6a]N[6a]N[6])(C[6a]C[6a]H){1|H<1>,6|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a,6a]N[6a]){1|O<2>,2|H<1>,7|C<3>}	116.8810	0.220	5	116.8810	0.048	5	116.8810	0.048	5	116.8810	0.048	5	119.0534	3.187	70	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N[6]	3:2:3:	3:3:3:	3:4:4:	C[6a,6a]-3:N[6a]-2:N[6]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(N[6]C[6]2)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]N[6a]N[6])(C[6a]C[6a]C)	N[6](C[6a]C[6a,6a]N[6a])(C[6]C[6]HH)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(N[6]C[6]2){1|C<2>,3|C<3>,3|C<4>,4|H<1>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]N[6a]N[6])(C[6a]C[6a]C){1|C<2>,2|C<3>,2|C<4>,2|H<1>}	N[6](C[6a]C[6a,6a]N[6a])(C[6]C[6]HH)2{1|C<4>,3|C<3>,4|H<1>}	120.0060	0.116	2	120.0060	0.013	2	120.7632	0.515	6	120.7632	0.515	6	119.0534	3.187	70	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N[6]	3:2:3:	3:3:3:	3:4:4:	C[6a,6a]-3:N[6a]-2:N[6]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(N[6]C[6]2)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]N[6a]N[6])(C[6a]C[6a]O)	N[6](C[6a]C[6a,6a]N[6a])(C[6]C[6]HH)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(N[6]C[6]2){1|O<2>,3|C<3>,3|C<4>,4|H<1>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]N[6a]N[6])(C[6a]C[6a]O){1|C<2>,1|H<1>,2|C<4>,3|C<3>}	N[6](C[6a]C[6a,6a]N[6a])(C[6]C[6]HH)2{1|C<4>,3|C<3>,4|H<1>}	121.4130	0.140	2	121.4130	0.020	2	120.7632	0.515	6	120.7632	0.515	6	119.0534	3.187	70	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N[6]	3:2:3:	3:3:3:	3:4:4:	C[6a,6a]-3:N[6a]-2:N[6]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(N[6]C[6]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(C[6a]N[6a]N[6])	N[6](C[6a]C[6a,6a]N[6a])(C[6]C[6]HH)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(N[6]C[6]2){1|N<2>,2|C<4>,3|C<3>,5|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(C[6a]N[6a]N[6]){1|H<1>,2|C<4>,3|C<3>}	N[6](C[6a]C[6a,6a]N[6a])(C[6]C[6]HH)2{1|O<2>,3|C<3>,4|H<1>}	120.3560	0.000	1	120.3560	0.000	1	120.7632	0.515	6	120.7632	0.515	6	119.0534	3.187	70	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N[6]	3:2:3:	3:3:3:	3:4:4:	C[6a,6a]-3:N[6a]-2:N[6]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(N[6]C[6]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[6a]N[6])(C[6a]C[6a]H)	N[6](C[6a]C[6a,6a]N[6a])(C[6]C[6]HH)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(N[6]C[6]2){1|N<2>,2|C<3>,2|C<4>,6|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[6a]N[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	N[6](C[6a]C[6a,6a]N[6a])(C[6]C[6]HH)2{1|C<4>,3|C<3>,4|H<1>}	121.3850	0.000	1	121.3850	0.000	1	120.7632	0.515	6	120.7632	0.515	6	119.0534	3.187	70	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N[6]	3:3:3:	3:3:2:	3:3:4:	C[6a,6a]-3:N[6]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6]-3:In[6]-4:	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6]In[6]C[6])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[6])(N[6a]C[6a])	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6,6a]H)(In[6]O[6]CC)	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6]In[6]C[6])(C[6a]C[6a]H){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[6])(N[6a]C[6a]){1|In<4>,3|C<3>,4|H<1>}	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6,6a]H)(In[6]O[6]CC){1|H<1>,1|N<2>,4|C<3>}	116.7890	0.115	4	116.7890	0.013	4	116.7890	0.013	4	116.7890	0.013	4	119.0534	3.187	70	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N[6]	3:3:3:	3:3:2:	3:4:3:	C[6a,6a]-3:N[6]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:S[6]-4:C[6]-3:	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6]C[6]S[6])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[6])(N[6a]C[6a])	N[6](C[6a]C[6a,6a]C[6a])(S[6]C[6,6a]OO)(C[6]C[6]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6]C[6]S[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,2|O<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[6])(N[6a]C[6a]){1|S<4>,3|C<3>,4|H<1>}	N[6](C[6a]C[6a,6a]C[6a])(S[6]C[6,6a]OO)(C[6]C[6]C){1|N<2>,2|H<1>,4|C<3>}	118.0445	0.576	2	118.0445	0.332	2	118.0445	0.332	2	118.0445	0.332	2	119.0534	3.187	70	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N[6]	3:3:3:	3:3:2:	3:4:4:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6]C[6]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]N[6])(N[6a]C[6a])	N[6](C[6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6]C[6]2){1|N<2>,1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]N[6])(N[6a]C[6a]){1|N<3>,3|C<3>,3|C<4>}	N[6](C[6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)2{1|C<4>,1|N<2>,3|C<3>,4|H<1>}	119.7682	0.542	4	119.7682	0.294	4	119.7682	0.294	4	119.4982	0.585	5	119.0534	3.187	70	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N[6]	3:3:3:	3:3:2:	3:4:4:	C[6a,6a]-3:C[6a]-3:N[6]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[6]C[6]2)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[6])(N[6a]C[6a])	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[6]C[6]2){2|C<4>,3|C<3>,5|H<1>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[6])(N[6a]C[6a]){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2{1|N<2>,1|N<3>,2|C<3>,5|H<1>}	118.4180	0.000	1	118.4180	0.000	1	118.4180	0.000	1	119.4982	0.585	5	119.0534	3.187	70	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N[6]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6])(N[6]C[6,6a]2)	C[6a,6a](C[6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[6](C[6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6])(N[6]C[6,6a]2){1|N<3>,2|H<1>,8|C<3>}	C[6a,6a](C[6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	N[6](C[6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])2{2|H<1>,2|N<3>,7|C<3>}	119.2530	1.392	2	120.2378	2.031	4	120.2378	2.031	4	119.4611	1.792	14	119.0534	3.187	70	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N[6]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6])(N[6]C[6,6a]2)	C[6a,6a](C[6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[6](C[6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6])(N[6]C[6,6a]2){1|O<2>,2|H<1>,8|C<3>}	C[6a,6a](C[6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	N[6](C[6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])2{1|N<3>,1|O<2>,2|H<1>,7|C<3>}	121.2225	0.528	2	120.2378	2.031	4	120.2378	2.031	4	119.4611	1.792	14	119.0534	3.187	70	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N[6]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6]-3:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]H)(N[6]C[6]2)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]N[6])(C[6a]N[6a]O)	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]H)2	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]H)(N[6]C[6]2){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]N[6])(C[6a]N[6a]O){1|C<4>,1|H<1>,6|C<3>}	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]H)2{3|H<1>,4|C<3>}	120.6820	0.000	1	120.6820	0.000	1	120.6820	0.000	1	119.4611	1.792	14	119.0534	3.187	70	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N[6]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]2)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]C)(C[6]C[6]N)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]2){1|N<3>,2|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[6])(C[6a]C[6a]H){4|C<3>,4|H<1>}	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]C)(C[6]C[6]N){1|C<2>,1|C<4>,1|H<1>,4|C<3>}	119.3000	0.000	1	118.9155	0.296	2	118.9150	0.148	3	119.4611	1.792	14	119.0534	3.187	70	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N[6]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]2)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]C)(C[6]C[6]N)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]2){1|N<3>,2|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[6])(C[6a]C[6a]H){4|C<3>,4|H<1>}	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]C)(C[6]C[6]N){1|C<4>,1|H<1>,5|C<3>}	118.5310	0.000	1	118.9155	0.296	2	118.9150	0.148	3	119.4611	1.792	14	119.0534	3.187	70	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N[6]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]2)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]C)(C[6]N[6]S)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]2){1|C<4>,1|N<2>,1|S<1>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[6])(C[6a]C[6a]H){4|C<3>,4|H<1>}	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]C)(C[6]N[6]S){2|H<1>,4|C<3>}	118.9140	0.000	1	118.9140	0.000	1	118.9150	0.148	3	119.4611	1.792	14	119.0534	3.187	70	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N[6]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:N[6]-3:C[6a]-3:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6]C[6,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6]C[6,6a]2)(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]N[6])(C[6a]C[6a]H){2|H<1>,6|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a]){1|N<3>,2|H<1>,8|C<3>}	120.0510	0.000	1	120.0510	0.000	1	120.0510	0.000	1	119.4611	1.792	14	119.0534	3.187	70	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N[6]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:N[6]-3:C[6a]-3:	C[6,6a,6a]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(N[6]C[6,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6,6a,6a]C[6,6a]2)(C[6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(N[6]C[6,6a]2)(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[6a,6a](C[6,6a,6a]C[6,6a]2)(C[6a]C[6a]N[6])(C[6a]C[6a]H){2|H<1>,6|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a,6a]C[6a]){1|O<2>,3|H<1>,7|C<3>}	118.9790	0.000	1	117.9313	0.887	3	117.9313	0.887	3	119.4611	1.792	14	119.0534	3.187	70	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N[6]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:N[6]-3:C[6a]-3:	C[6,6a,6a]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(N[6]C[6,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6,6a,6a]C[6,6a]2)(C[6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(N[6]C[6,6a]2)(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[6a,6a](C[6,6a,6a]C[6,6a]2)(C[6a]C[6a]N[6])(C[6a]C[6a]H){2|H<1>,6|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a,6a]C[6a]){1|S<2>,3|H<1>,7|C<3>}	117.4075	0.357	2	117.9313	0.887	3	117.9313	0.887	3	119.4611	1.792	14	119.0534	3.187	70	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N[6]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:N[6]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6]C[6,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6]C[6,6a]2)(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[6])(C[6a]C[6a]H){4|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a,6a]C[6a]){1|O<2>,3|H<1>,7|C<3>}	119.0890	0.000	1	119.0890	0.000	1	120.1165	2.112	2	119.4611	1.792	14	119.0534	3.187	70	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N[6]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:N[6]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6]C[6,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]N[6])	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6]C[6,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]N[6]){1|C<4>,2|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a,6a]C[6a]){1|O<2>,3|H<1>,7|C<3>}	121.1440	0.000	1	121.1440	0.000	1	120.1165	2.112	2	119.4611	1.792	14	119.0534	3.187	70	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[6a,6a]-3:N[6]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:B[6]-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6]B[6]C[6])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6,6a]H)(B[6]O[6]FF)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6]B[6]C[6])(C[6a]C[6a]H){1|O<2>,2|F<1>,3|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[6])(C[6a]C[6a]H){1|B<4>,3|C<3>,4|H<1>}	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6,6a]H)(B[6]O[6]FF){1|H<1>,5|C<3>}	118.9690	0.718	3	118.9690	0.516	3	118.9690	0.516	3	118.9690	0.516	3	119.0534	3.187	70	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N[6]	3:3:3:	3:3:3:	3:4:2:	C[6a,6a]-3:N[6]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:B[6]-4:N[6]-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6]B[6]N[6])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6a]C[6a,6a]C[6a])(B[6]N[5,6]FF)(N[6]C[6])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6]B[6]N[6])(C[6a]C[6a]H){1|N<3>,2|F<1>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[6])(C[6a]C[6a]H){1|B<4>,1|N<2>,2|C<3>,4|H<1>}	N[6](C[6a]C[6a,6a]C[6a])(B[6]N[5,6]FF)(N[6]C[6]){1|C<2>,1|H<1>,5|C<3>}	120.7070	0.000	1	120.7070	0.000	1	120.5487	0.202	3	120.5487	0.202	3	119.0534	3.187	70	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N[6]	3:3:3:	3:3:3:	3:4:2:	C[6a,6a]-3:N[6]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:B[6]-4:N[6]-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6]B[6]N[6])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6a]C[6a,6a]C[6a])(B[6]N[6]FF)(N[6]C[6,6])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6]B[6]N[6])(C[6a]C[6a]H){1|N<3>,2|F<1>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[6])(C[6a]C[6a]H){1|B<4>,1|N<2>,2|C<3>,4|H<1>}	N[6](C[6a]C[6a,6a]C[6a])(B[6]N[6]FF)(N[6]C[6,6]){2|H<1>,5|C<3>}	120.4695	0.605	2	120.4695	0.366	2	120.5487	0.202	3	120.5487	0.202	3	119.0534	3.187	70	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6a,6a]-3:C[6a,6a]-3:N[6]-3:	C[6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(N[6]C[6]2)	C[6a,6a](C[6a]C[6a,6a]N[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[6](C[6a]C[6a,6a]2)(C[6]C[6]HH)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(N[6]C[6]2){2|C<4>,5|C<3>,6|H<1>}	C[6a,6a](C[6a]C[6a,6a]N[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	N[6](C[6a]C[6a,6a]2)(C[6]C[6]HH)2{1|C<4>,4|C<3>,4|H<1>}	120.1825	3.297	4	120.1825	10.872	4	120.1825	10.872	4	119.0361	4.295	28	119.0534	3.187	70	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6a,6a]-3:C[6a]-3:N[6]-3:	C[6,6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]2)	C[6a,6a](C[6,6a,6a]C[6,6a]2)(C[6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]2){2|C<4>,3|C<3>,6|H<1>}	C[6a,6a](C[6,6a,6a]C[6,6a]2)(C[6a]C[6a]N[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2{1|C<4>,3|C<3>,5|H<1>}	118.6066	0.555	5	118.9526	1.821	9	118.9526	1.821	9	119.0361	4.295	28	119.0534	3.187	70	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6a,6a]-3:C[6a]-3:N[6]-3:	C[6,6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]2)	C[6a,6a](C[6,6a,6a]C[6,6a]2)(C[6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]2){2|C<4>,3|C<3>,6|H<1>}	C[6a,6a](C[6,6a,6a]C[6,6a]2)(C[6a]C[6a]N[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2{1|N<4>,3|C<3>,5|H<1>}	118.1220	0.000	1	118.9526	1.821	9	118.9526	1.821	9	119.0361	4.295	28	119.0534	3.187	70	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6a,6a]-3:C[6a]-3:N[6]-3:	C[6,6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]2)	C[6a,6a](C[6,6a,6a]C[6,6a]2)(C[6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]2){2|C<4>,3|C<3>,6|H<1>}	C[6a,6a](C[6,6a,6a]C[6,6a]2)(C[6a]C[6a]N[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2{1|O<2>,3|C<3>,5|H<1>}	118.5240	0.041	2	118.9526	1.821	9	118.9526	1.821	9	119.0361	4.295	28	119.0534	3.187	70	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6a,6a]-3:C[6a]-3:N[6]-3:	C[6,6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]2)	C[6a,6a](C[6,6a,6a]C[6,6a]2)(C[6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]2){2|C<4>,3|C<3>,6|H<1>}	C[6a,6a](C[6,6a,6a]C[6,6a]2)(C[6a]C[6a]N[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2{1|S<2>,3|C<3>,5|H<1>}	122.3700	0.000	1	118.9526	1.821	9	118.9526	1.821	9	119.0361	4.295	28	119.0534	3.187	70	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6a,6a]-3:C[6a]-3:N[6]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N[6])	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6]C[6]2){1|N<2>,2|C<4>,3|C<3>,5|H<1>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N[6]){2|C<4>,3|H<1>,4|C<3>}	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2{1|O<2>,3|C<3>,5|H<1>}	119.4920	0.000	1	119.4920	0.000	1	119.4920	0.000	1	119.0361	4.295	28	119.0534	3.187	70	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6a,6a]-3:C[6a]-3:N[6]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])(N[6]C[6]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])(N[6]C[6]2){1|O<2>,2|C<3>,2|C<4>,2|N<2>,6|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2{1|N<3>,4|C<3>,4|H<1>}	118.2450	0.000	2	118.2450	0.000	2	118.7296	4.764	14	119.0361	4.295	28	119.0534	3.187	70	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6a,6a]-3:C[6a]-3:N[6]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]H)(N[6]C[6]2)	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]H)(N[6]C[6]2){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]N[6])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|C<4>,3|H<1>}	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2{1|C<4>,3|C<3>,5|H<1>}	118.1315	0.110	2	118.1315	0.012	2	118.7296	4.764	14	119.0361	4.295	28	119.0534	3.187	70	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6a,6a]-3:C[6a]-3:N[6]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]2)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H)(C[6a]C[6a]N[6])	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]2){2|C<4>,3|C<3>,6|H<1>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H)(C[6a]C[6a]N[6]){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2{1|C<4>,3|C<3>,5|H<1>}	117.3102	0.262	4	117.3272	0.053	5	118.7296	4.764	14	119.0361	4.295	28	119.0534	3.187	70	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6a,6a]-3:C[6a]-3:N[6]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]2)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H)(C[6a]C[6a]N[6])	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]2){2|C<4>,3|C<3>,6|H<1>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H)(C[6a]C[6a]N[6]){2|C<4>,3|C<3>,3|H<1>}	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2{1|C<4>,3|C<3>,5|H<1>}	117.3950	0.000	1	117.3272	0.053	5	118.7296	4.764	14	119.0361	4.295	28	119.0534	3.187	70	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6a,6a]-3:C[6a]-3:N[6]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]2)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]2){2|C<4>,3|C<3>,6|H<1>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2{1|C<4>,3|C<3>,5|H<1>}	118.1360	0.000	1	118.1360	0.000	1	118.7296	4.764	14	119.0361	4.295	28	119.0534	3.187	70	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6a,6a]-3:C[6a]-3:N[6]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]2){1|N<2>,2|C<3>,2|C<4>,6|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2{1|N<3>,3|C<3>,5|H<1>}	119.7027	0.522	3	119.7027	0.273	3	118.7296	4.764	14	119.0361	4.295	28	119.0534	3.187	70	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6a,6a]-3:C[6a]-3:N[6]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(N[6]C[6]2)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(N[6]C[6]2){2|C<4>,3|C<3>,6|H<1>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2{1|C<4>,1|N<3>,3|C<3>,4|H<1>}	125.5820	0.000	1	125.5820	0.000	1	118.7296	4.764	14	119.0361	4.295	28	119.0534	3.187	70	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6,6]	3:3:2:	3:3:1:	3:4:2:	N[6,6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[3x6]-4:O[6,6]-2:	C[6a](N[6,6]C[3x6]O[6,6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6,6]N[6a])(C[6a]C[6a]H)(H)	N[6,6](C[6a]C[6a]N[6a])(C[3x6]C[6,6]2H)(O[6,6]C[3x6])	C[6a](N[6,6]C[3x6]O[6,6])(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]N[6,6]N[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	N[6,6](C[6a]C[6a]N[6a])(C[3x6]C[6,6]2H)(O[6,6]C[3x6]){2|C<4>,3|C<3>,4|H<1>}	120.7700	0.000	1	120.7700	0.000	1	120.7700	0.000	1	120.7700	0.000	1	119.8015	3.449	125	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6,6]	3:3:3:	3:3:1:	3:3:3:	N[6,6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6]-3:C[6,6]-3:C[6a]-3:	C[6a](N[6,6]C[6,6]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]N[6,6]C[6a])(C[6a]C[6a]C)(H)	N[6,6](C[6,6]C[4,6,6]O)2(C[6a]C[6a]2)	C[6a](N[6,6]C[6,6]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,2|O<1>,3|C<4>}	C[6a](C[6a]N[6,6]C[6a])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,3|C<3>}	N[6,6](C[6,6]C[4,6,6]O)2(C[6a]C[6a]2){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	114.4500	1.274	2	114.4500	1.624	2	116.6000	8.030	5	116.6000	8.030	5	119.8015	3.449	125	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6,6]	3:3:3:	3:3:1:	3:3:3:	N[6,6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6]-3:C[6,6]-3:C[6a]-3:	C[6a](N[6,6]C[6,6]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]N[6,6]C[6a])(C[6a]C[6a]H)(H)	N[6,6](C[6,6]C[4,6,6]O)2(C[6a]C[6a]2)	C[6a](N[6,6]C[6,6]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[6a](C[6a]N[6,6]C[6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6,6](C[6,6]C[4,6,6]O)2(C[6a]C[6a]2){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	114.8810	0.000	1	114.8810	0.000	1	116.6000	8.030	5	116.6000	8.030	5	119.8015	3.449	125	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6,6]	3:3:3:	3:3:1:	3:3:3:	N[6,6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6]-3:C[6,6]-3:C[6a]-3:	C[6a](N[6,6]C[6,6]2)(C[6a]C[6a]H)2	C[6a](C[6a]N[6,6]C[6a])(C[6a]C[6a]H)(H)	N[6,6](C[6,6]C[4,6,6]O)2(C[6a]C[6a]2)	C[6a](N[6,6]C[6,6]2)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[6a](C[6a]N[6,6]C[6a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[6,6](C[6,6]C[4,6,6]O)2(C[6a]C[6a]2){2|H<1>,3|C<3>,3|C<4>}	119.6095	0.425	2	119.6095	0.181	2	116.6000	8.030	5	116.6000	8.030	5	119.8015	3.449	125	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6,6]	3:3:3:	3:3:1:	4:2:3:	N[6,6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[3x6]-4:O[6,6]-2:C[6a]-3:	C[6a](N[6,6]C[3x6]O[6,6])(C[6a]C[6a]H)2	C[6a](C[6a]N[6,6]C[6a])(C[6a]C[6a]H)(H)	N[6,6](C[3x6]C[6,6]2H)(O[6,6]C[3x6])(C[6a]C[6a]2)	C[6a](N[6,6]C[3x6]O[6,6])(C[6a]C[6a]H)2{1|C<3>,3|C<4>,3|H<1>}	C[6a](C[6a]N[6,6]C[6a])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<2>}	N[6,6](C[3x6]C[6,6]2H)(O[6,6]C[3x6])(C[6a]C[6a]2){3|C<3>,3|C<4>,5|H<1>}	120.1980	2.530	8	120.1980	6.403	8	120.1980	6.403	8	120.1980	6.403	8	119.8015	3.449	125	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6,6]	3:3:3:	3:3:1:	4:3:3:	N[6,6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[3x6]-4:C[6,6]-3:C[6a]-3:	C[6a](N[6,6]C[3x6]C[6,6])(C[6a]C[6a]H)2	C[6a](C[6a]N[6,6]C[6a])(C[6a]C[6a]H)(H)	N[6,6](C[3x6]N[5,6,6]C[6,6]H)(C[6,6]C[3x6]O)(C[6a]C[6a]2)	C[6a](N[6,6]C[3x6]C[6,6])(C[6a]C[6a]H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[6a](C[6a]N[6,6]C[6a])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[6,6](C[3x6]N[5,6,6]C[6,6]H)(C[6,6]C[3x6]O)(C[6a]C[6a]2){2|C<4>,3|C<3>,5|H<1>}	119.9662	0.597	6	119.9662	0.356	6	119.9662	0.356	6	120.5876	1.714	35	119.8015	3.449	125	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6,6]	3:3:3:	3:3:1:	4:3:3:	N[6,6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[3x6]-4:N[6,6]-3:C[6a]-3:	C[6a](N[6,6]C[3x6]N[6,6])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]N[6,6]C[6a])(C[6a]C[6a]C)(H)	N[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(C[6a]C[6a]2)	C[6a](N[6,6]C[3x6]N[6,6])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>,5|C<4>}	C[6a](C[6a]N[6,6]C[6a])(C[6a]C[6a]C)(H){1|C<3>,2|C<4>,2|N<3>}	N[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(C[6a]C[6a]2){2|C<3>,3|C<4>,6|H<1>}	119.3990	0.000	1	119.3990	0.000	1	120.6050	13.936	3	120.5876	1.714	35	119.8015	3.449	125	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6,6]	3:3:3:	3:3:1:	4:3:3:	N[6,6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[3x6]-4:N[6,6]-3:C[6a]-3:	C[6a](N[6,6]C[3x6]N[6,6])(C[6a]C[6a]H)2	C[6a](C[6a]N[6,6]C[6a])(C[6a]C[6a]H)(H)	N[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(C[6a]C[6a]2)	C[6a](N[6,6]C[3x6]N[6,6])(C[6a]C[6a]H)2{1|C<3>,3|H<1>,4|C<4>}	C[6a](C[6a]N[6,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	N[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(C[6a]C[6a]2){2|C<3>,2|C<4>,7|H<1>}	121.2080	5.069	2	121.2080	25.690	2	120.6050	13.936	3	120.5876	1.714	35	119.8015	3.449	125	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6,6]	3:3:3:	3:3:1:	4:3:3:	N[6,6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6]-4:C[6a]-3:P[6,6]-3:	C[6a](N[6,6]C[6,6]P[6,6])(C[6a]C[6a]H)2	C[6a](C[6a]N[6,6]C[6a])(C[6a]C[6a]C)(H)	N[6,6](C[6,6]C[6,6a]2H)(C[6a]C[6a]2)(P[6,6]O[6]2)	C[6a](N[6,6]C[6,6]P[6,6])(C[6a]C[6a]H)2{1|H<1>,2|C<4>,2|O<2>,3|C<3>}	C[6a](C[6a]N[6,6]C[6a])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|P<3>,2|H<1>}	N[6,6](C[6,6]C[6,6a]2H)(C[6a]C[6a]2)(P[6,6]O[6]2){2|H<1>,6|C<3>}	120.3065	2.866	2	120.3065	8.213	2	120.3065	8.213	2	120.5876	1.714	35	119.8015	3.449	125	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6,6]	3:3:3:	3:3:1:	4:3:3:	N[6,6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6]-4:P[3x6]-3:C[6a]-3:	C[6a](N[6,6]C[6,6]P[3x6])(C[6a]C[6a]H)2	C[6a](C[6a]N[6,6]C[6a])(C[6a]C[6a]H)(H)	N[6,6](C[6,6]P[3x6]HH)(P[3x6]N[6,6]2)(C[6a]C[6a]2)	C[6a](N[6,6]C[6,6]P[3x6])(C[6a]C[6a]H)2{1|C<3>,1|P<3>,2|N<3>,4|H<1>}	C[6a](C[6a]N[6,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|P<3>,2|H<1>}	N[6,6](C[6,6]P[3x6]HH)(P[3x6]N[6,6]2)(C[6a]C[6a]2){2|C<4>,2|H<1>,4|C<3>}	120.6705	0.966	6	120.7642	0.747	24	120.7642	0.747	24	120.5876	1.714	35	119.8015	3.449	125	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6,6]	3:3:3:	3:3:1:	4:3:3:	N[6,6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6]-4:P[3x6]-3:C[6a]-3:	C[6a](N[6,6]C[6,6]P[3x6])(C[6a]C[6a]H)2	C[6a](C[6a]N[6,6]C[6a])(C[6a]C[6a]H)(H)	N[6,6](C[6,6]P[3x6]HH)(P[3x6]N[6,6]2)(C[6a]C[6a]2)	C[6a](N[6,6]C[6,6]P[3x6])(C[6a]C[6a]H)2{1|C<3>,1|P<4>,2|N<3>,4|H<1>}	C[6a](C[6a]N[6,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|P<3>,2|H<1>}	N[6,6](C[6,6]P[3x6]HH)(P[3x6]N[6,6]2)(C[6a]C[6a]2){1|Mo<6>,2|C<4>,2|H<1>,4|C<3>}	120.7954	0.856	18	120.7642	0.747	24	120.7642	0.747	24	120.5876	1.714	35	119.8015	3.449	125	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6,6]	3:3:3:	3:3:1:	4:4:3:	N[6,6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[3x6]-4:C[6,6]-4:C[6a]-3:	C[6a](N[6,6]C[3x6]C[6,6])(C[6a]C[6a]H)2	C[6a](C[6a]N[6,6]C[6a])(C[6a]C[6a]H)(H)	N[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]CH)(C[6a]C[6a]2)	C[6a](N[6,6]C[3x6]C[6,6])(C[6a]C[6a]H)2{2|C<3>,3|H<1>,4|C<4>}	C[6a](C[6a]N[6,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	N[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]CH)(C[6a]C[6a]2){3|C<4>,3|H<1>,4|C<3>}	121.0435	3.917	2	121.0435	15.340	2	121.0435	15.340	2	121.3318	4.096	14	119.8015	3.449	125	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6,6]	3:3:3:	3:3:1:	4:4:3:	N[6,6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6]-4:C[3x6]-4:C[6a]-3:	C[6a](N[6,6]C[3x6]C[6,6])(C[6a]C[6a]H)2	C[6a](C[6a]N[6,6]C[6a])(C[6a]C[6a]H)(H)	N[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2H)(C[6a]C[6a]2)	C[6a](N[6,6]C[3x6]C[6,6])(C[6a]C[6a]H)2{2|C<3>,3|C<4>,4|H<1>}	C[6a](C[6a]N[6,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	N[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2H)(C[6a]C[6a]2){1|C<4>,5|C<3>,7|H<1>}	121.3885	2.239	2	121.3263	3.846	4	121.3263	3.846	4	121.3318	4.096	14	119.8015	3.449	125	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6,6]	3:3:3:	3:3:1:	4:4:3:	N[6,6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6]-4:C[3x6]-4:C[6a]-3:	C[6a](N[6,6]C[3x6]C[6,6])(C[6a]C[6a]H)2	C[6a](C[6a]N[6,6]C[6a])(C[6a]C[6a]H)(H)	N[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2H)(C[6a]C[6a]2)	C[6a](N[6,6]C[3x6]C[6,6])(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]N[6,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	N[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2H)(C[6a]C[6a]2){1|C<4>,5|H<1>,6|C<3>}	121.2640	2.551	2	121.3263	3.846	4	121.3263	3.846	4	121.3318	4.096	14	119.8015	3.449	125	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6,6]	3:3:3:	3:3:1:	4:4:3:	N[6,6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6a]-3:	C[6a](N[6,6]C[6,6]2)(C[6a]C[6a]H)2	C[6a](C[6a]N[6,6]C[6a])(C[6a]C[6a]H)(H)	N[6,6](C[6,6]C[6]2H)2(C[6a]C[6a]2)	C[6a](N[6,6]C[6,6]2)(C[6a]C[6a]H)2{1|C<3>,4|C<4>,4|H<1>}	C[6a](C[6a]N[6,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	N[6,6](C[6,6]C[6]2H)2(C[6a]C[6a]2){10|H<1>,1|C<4>,3|C<3>}	121.5705	1.183	2	121.5090	1.494	4	121.4066	3.736	8	121.3318	4.096	14	119.8015	3.449	125	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6,6]	3:3:3:	3:3:1:	4:4:3:	N[6,6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6a]-3:	C[6a](N[6,6]C[6,6]2)(C[6a]C[6a]H)2	C[6a](C[6a]N[6,6]C[6a])(C[6a]C[6a]H)(H)	N[6,6](C[6,6]C[6]2H)2(C[6a]C[6a]2)	C[6a](N[6,6]C[6,6]2)(C[6a]C[6a]H)2{1|C<3>,4|C<4>,4|H<1>}	C[6a](C[6a]N[6,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	N[6,6](C[6,6]C[6]2H)2(C[6a]C[6a]2){10|H<1>,1|C<4>,3|C<3>}	121.4475	1.752	2	121.5090	1.494	4	121.4066	3.736	8	121.3318	4.096	14	119.8015	3.449	125	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6,6]	3:3:3:	3:3:1:	4:4:3:	N[6,6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6a]-3:	C[6a](N[6,6]C[6,6]2)(C[6a]C[6a]H)2	C[6a](C[6a]N[6,6]C[6a])(C[6a]C[6a]H)(H)	N[6,6](C[6,6]N[5,6]C[6]H)(C[6,6]C[6]2H)(C[6a]C[6a]2)	C[6a](N[6,6]C[6,6]2)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]N[6,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	N[6,6](C[6,6]N[5,6]C[6]H)(C[6,6]C[6]2H)(C[6a]C[6a]2){1|N<3>,2|C<4>,3|C<3>,6|H<1>}	121.2825	1.852	2	121.2825	3.430	2	121.4066	3.736	8	121.3318	4.096	14	119.8015	3.449	125	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6,6]	3:3:3:	3:3:1:	4:4:3:	N[6,6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6a]-3:	C[6a](N[6,6]C[6,6]2)(C[6a]C[6a]H)2	C[6a](C[6a]N[6,6]C[6a])(C[6a]C[6a]H)(H)	N[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6]N[6]H)(C[6a]C[6a]2)	C[6a](N[6,6]C[6,6]2)(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,2|C<4>,4|H<1>}	C[6a](C[6a]N[6,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	N[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6]N[6]H)(C[6a]C[6a]2){1|C<4>,4|C<3>,6|H<1>}	121.3260	4.261	2	121.3260	18.156	2	121.4066	3.736	8	121.3318	4.096	14	119.8015	3.449	125	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6,6]	3:3:3:	3:3:4:	3:3:3:	N[6,6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6,6]-3:C[6,6]-3:C[6a]-3:	C[6a](N[6,6]C[6,6]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]N[6,6]C[6a])(C[6a]C[6a]H)(CC3)	N[6,6](C[6,6]C[4,6,6]O)2(C[6a]C[6a]2)	C[6a](N[6,6]C[6,6]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,2|O<1>,3|C<4>}	C[6a](C[6a]N[6,6]C[6a])(C[6a]C[6a]H)(CC3){2|H<1>,3|C<3>}	N[6,6](C[6,6]C[4,6,6]O)2(C[6a]C[6a]2){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	123.2120	1.236	2	122.9813	0.923	3	122.9813	0.923	3	119.4645	2.203	37	119.8015	3.449	125	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6,6]	3:3:3:	3:3:4:	3:3:3:	N[6,6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6,6]-3:C[6,6]-3:C[6a]-3:	C[6a](N[6,6]C[6,6]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]N[6,6]C[6a])(C[6a]C[6a]H)(CC3)	N[6,6](C[6,6]C[4,6,6]O)2(C[6a]C[6a]2)	C[6a](N[6,6]C[6,6]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[6a](C[6a]N[6,6]C[6a])(C[6a]C[6a]H)(CC3){2|H<1>,3|C<3>}	N[6,6](C[6,6]C[4,6,6]O)2(C[6a]C[6a]2){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	122.5200	0.000	1	122.9813	0.923	3	122.9813	0.923	3	119.4645	2.203	37	119.8015	3.449	125	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6,6]	3:3:3:	3:3:4:	3:3:3:	N[6,6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Ge[3x6]-3:C[6,6]-3:C[6a]-3:	C[6a](N[6,6]Ge[3x6]C[6,6])(C[6a]C[6a]C)2	C[6a](C[6a]N[6,6]C[6a])(C[6a]C[6a]H)(CCCH)	N[6,6](Ge[3x6]C[6,6]N[6,6])(C[6,6]C[3x6]C)(C[6a]C[6a]2)	C[6a](N[6,6]Ge[3x6]C[6,6])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]N[6,6]C[6a])(C[6a]C[6a]H)(CCCH){1|Ge<3>,1|C<4>,1|H<1>,2|C<3>}	N[6,6](Ge[3x6]C[6,6]N[6,6])(C[6,6]C[3x6]C)(C[6a]C[6a]2){2|C<4>,2|H<1>,5|C<3>}	119.8680	0.657	4	119.2714	0.715	8	119.2714	0.715	8	119.4645	2.203	37	119.8015	3.449	125	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6,6]	3:3:3:	3:3:4:	3:3:3:	N[6,6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Ge[3x6]-3:C[6,6]-3:C[6a]-3:	C[6a](N[6,6]Ge[3x6]C[6,6])(C[6a]C[6a]C)2	C[6a](C[6a]N[6,6]C[6a])(C[6a]C[6a]H)(CCCH)	N[6,6](Ge[3x6]C[6,6]N[6,6])(C[6,6]C[3x6]C)(C[6a]C[6a]2)	C[6a](N[6,6]Ge[3x6]C[6,6])(C[6a]C[6a]C)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]N[6,6]C[6a])(C[6a]C[6a]H)(CCCH){1|Ge<3>,1|C<4>,1|H<1>,2|C<3>}	N[6,6](Ge[3x6]C[6,6]N[6,6])(C[6,6]C[3x6]C)(C[6a]C[6a]2){2|C<4>,2|H<1>,5|C<3>}	118.6748	0.536	4	119.2714	0.715	8	119.2714	0.715	8	119.4645	2.203	37	119.8015	3.449	125	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6,6]	3:3:3:	3:3:4:	3:3:3:	N[6,6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	P[4,6,6]-3:C[6,6]-3:C[6a]-3:	C[6a](N[6,6]P[4,6,6]C[6,6])(C[6a]C[6a]C)2	C[6a](C[6a]N[6,6]C[6a])(C[6a]C[6a]H)(CCCH)	N[6,6](P[4,6,6]N[4,6]2)(C[6,6]N[6,6]H)(C[6a]C[6a]2)	C[6a](N[6,6]P[4,6,6]C[6,6])(C[6a]C[6a]C)2{1|C<3>,3|H<1>,3|N<3>}	C[6a](C[6a]N[6,6]C[6a])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,1|P<3>,2|C<3>}	N[6,6](P[4,6,6]N[4,6]2)(C[6,6]N[6,6]H)(C[6a]C[6a]2){1|P<3>,3|C<3>,4|C<4>}	118.7480	0.980	8	118.7480	0.960	8	119.1181	1.277	26	119.4645	2.203	37	119.8015	3.449	125	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6,6]	3:3:3:	3:3:4:	3:3:3:	N[6,6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	P[4,6,6]-3:C[6,6]-3:C[6a]-3:	C[6a](N[6,6]P[4,6,6]C[6,6])(C[6a]C[6a]C)2	C[6a](C[6a]N[6,6]C[6a])(C[6a]C[6a]H)(CH3)	N[6,6](P[4,6,6]N[4,6]2)(C[6,6]N[6,6]H)(C[6a]C[6a]2)	C[6a](N[6,6]P[4,6,6]C[6,6])(C[6a]C[6a]C)2{1|C<3>,3|H<1>,3|N<3>}	C[6a](C[6a]N[6,6]C[6a])(C[6a]C[6a]H)(CH3){1|P<3>,2|C<3>,2|C<4>}	N[6,6](P[4,6,6]N[4,6]2)(C[6,6]N[6,6]H)(C[6a]C[6a]2){1|P<3>,2|C<4>,5|C<3>}	119.1465	1.538	4	119.0080	1.679	8	119.1181	1.277	26	119.4645	2.203	37	119.8015	3.449	125	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6,6]	3:3:3:	3:3:4:	3:3:3:	N[6,6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	P[4,6,6]-3:C[6,6]-3:C[6a]-3:	C[6a](N[6,6]P[4,6,6]C[6,6])(C[6a]C[6a]C)2	C[6a](C[6a]N[6,6]C[6a])(C[6a]C[6a]H)(CH3)	N[6,6](P[4,6,6]N[4,6]2)(C[6,6]N[6,6]H)(C[6a]C[6a]2)	C[6a](N[6,6]P[4,6,6]C[6,6])(C[6a]C[6a]C)2{1|C<3>,3|H<1>,3|N<3>}	C[6a](C[6a]N[6,6]C[6a])(C[6a]C[6a]H)(CH3){1|P<3>,2|C<3>,2|C<4>}	N[6,6](P[4,6,6]N[4,6]2)(C[6,6]N[6,6]H)(C[6a]C[6a]2){1|P<3>,3|C<3>,4|C<4>}	118.8695	1.226	4	119.0080	1.679	8	119.1181	1.277	26	119.4645	2.203	37	119.8015	3.449	125	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6,6]	3:3:3:	3:3:4:	3:3:3:	N[6,6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	P[4,6,6]-3:C[6,6]-3:C[6a]-3:	C[6a](N[6,6]P[4,6,6]C[6,6])(C[6a]C[6a]C)2	C[6a](C[6a]N[6,6]C[6a])(C[6a]C[6a]H)(CH3)	N[6,6](P[4,6,6]N[4,6]2)(C[6,6]N[6,6]Ir)(C[6a]C[6a]2)	C[6a](N[6,6]P[4,6,6]C[6,6])(C[6a]C[6a]C)2{1|Ir<4>,1|C<3>,2|H<1>,3|N<3>}	C[6a](C[6a]N[6,6]C[6a])(C[6a]C[6a]H)(CH3){1|P<3>,2|C<3>,2|C<4>}	N[6,6](P[4,6,6]N[4,6]2)(C[6,6]N[6,6]Ir)(C[6a]C[6a]2){1|P<3>,3|C<3>,4|C<4>}	119.3385	0.418	4	119.5022	1.199	10	119.1181	1.277	26	119.4645	2.203	37	119.8015	3.449	125	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6,6]	3:3:3:	3:3:4:	3:3:3:	N[6,6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	P[4,6,6]-3:C[6,6]-3:C[6a]-3:	C[6a](N[6,6]P[4,6,6]C[6,6])(C[6a]C[6a]C)2	C[6a](C[6a]N[6,6]C[6a])(C[6a]C[6a]H)(CH3)	N[6,6](P[4,6,6]N[4,6]2)(C[6,6]N[6,6]Ir)(C[6a]C[6a]2)	C[6a](N[6,6]P[4,6,6]C[6,6])(C[6a]C[6a]C)2{1|Ir<6>,1|C<3>,2|H<1>,3|N<3>}	C[6a](C[6a]N[6,6]C[6a])(C[6a]C[6a]H)(CH3){1|P<3>,2|C<3>,2|C<4>}	N[6,6](P[4,6,6]N[4,6]2)(C[6,6]N[6,6]Ir)(C[6a]C[6a]2){1|P<3>,3|C<3>,4|C<4>}	119.6347	1.319	4	119.5022	1.199	10	119.1181	1.277	26	119.4645	2.203	37	119.8015	3.449	125	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6,6]	3:3:3:	3:3:4:	3:3:3:	N[6,6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	P[4,6,6]-3:C[6,6]-3:C[6a]-3:	C[6a](N[6,6]P[4,6,6]C[6,6])(C[6a]C[6a]C)2	C[6a](C[6a]N[6,6]C[6a])(C[6a]C[6a]H)(CH3)	N[6,6](P[4,6,6]N[4,6]2)(C[6,6]N[6,6]Ir)(C[6a]C[6a]2)	C[6a](N[6,6]P[4,6,6]C[6,6])(C[6a]C[6a]C)2{1|Ir<6>,1|C<3>,2|H<1>,3|N<3>}	C[6a](C[6a]N[6,6]C[6a])(C[6a]C[6a]H)(CH3){1|P<3>,2|C<3>,2|C<4>}	N[6,6](P[4,6,6]N[4,6]2)(C[6,6]N[6,6]Ir)(C[6a]C[6a]2){1|P<4>,3|C<3>,4|C<4>}	119.5645	2.205	2	119.5022	1.199	10	119.1181	1.277	26	119.4645	2.203	37	119.8015	3.449	125	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6,6]	3:3:3:	3:3:4:	4:2:3:	N[6,6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[3x6]-4:C[6,6]-2:C[6a]-3:	C[6a](N[6,6]C[3x6]C[6,6])(C[6a]C[6a]C)2	C[6a](C[6a]N[6,6]C[6a])(C[6a]C[6a]H)(CCCH)	N[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6])(C[6a]C[6a]2)	C[6a](N[6,6]C[3x6]C[6,6])(C[6a]C[6a]C)2{1|C<3>,2|H<1>,4|C<4>}	C[6a](C[6a]N[6,6]C[6a])(C[6a]C[6a]H)(CCCH){1|C<2>,1|C<3>,1|H<1>,2|C<4>}	N[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6])(C[6a]C[6a]2){2|C<3>,4|H<1>,5|C<4>}	119.1715	0.043	2	119.1715	0.002	2	119.1715	0.002	2	119.1715	0.002	2	119.8015	3.449	125	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6,6]	3:3:3:	3:3:4:	4:3:3:	N[6,6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[3x6]-4:C[6,6]-3:C[6a]-3:	C[6a](N[6,6]C[3x6]C[6,6])(C[6a]C[6a]C)2	C[6a](C[6a]N[6,6]C[6a])(C[6a]C[6a]H)(CCCH)	N[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]B)(C[6a]C[6a]2)	C[6a](N[6,6]C[3x6]C[6,6])(C[6a]C[6a]C)2{1|B<4>,1|C<3>,2|H<1>,4|C<4>}	C[6a](C[6a]N[6,6]C[6a])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	N[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]B)(C[6a]C[6a]2){2|C<3>,4|H<1>,5|C<4>}	118.4903	0.577	16	118.4903	0.333	16	118.5431	0.342	18	118.6347	0.601	21	119.8015	3.449	125	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6,6]	3:3:3:	3:3:4:	4:3:3:	N[6,6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[3x6]-4:C[6,6]-3:C[6a]-3:	C[6a](N[6,6]C[3x6]C[6,6])(C[6a]C[6a]C)2	C[6a](C[6a]N[6,6]C[6a])(C[6a]C[6a]H)(CCCH)	N[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]Se)(C[6a]C[6a]2)	C[6a](N[6,6]C[3x6]C[6,6])(C[6a]C[6a]C)2{1|Se<1>,1|C<3>,2|H<1>,4|C<4>}	C[6a](C[6a]N[6,6]C[6a])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	N[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]Se)(C[6a]C[6a]2){2|C<3>,4|H<1>,5|C<4>}	118.9655	0.650	2	118.9655	0.422	2	118.5431	0.342	18	118.6347	0.601	21	119.8015	3.449	125	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6,6]	3:3:3:	3:3:4:	4:3:3:	N[6,6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[3x6]-4:N[6,6]-3:C[6a]-3:	C[6a](N[6,6]C[3x6]N[6,6])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]N[6,6]C[6a])(C[6a]C[6a]H)(CH3)	N[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(C[6a]C[6a]2)	C[6a](N[6,6]C[3x6]N[6,6])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>,5|C<4>}	C[6a](C[6a]N[6,6]C[6a])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	N[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(C[6a]C[6a]2){2|C<3>,3|C<4>,6|H<1>}	118.7460	0.000	1	118.7460	0.000	1	118.7460	0.000	1	118.6347	0.601	21	119.8015	3.449	125	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6,6]	3:3:3:	3:3:4:	4:3:3:	N[6,6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	P[4,6,6]-4:C[6,6]-3:C[6a]-3:	C[6a](N[6,6]P[4,6,6]C[6,6])(C[6a]C[6a]C)2	C[6a](C[6a]N[6,6]C[6a])(C[6a]C[6a]H)(CH3)	N[6,6](P[4,6,6]N[4,6]2Ir)(C[6,6]N[6,6]Ir)(C[6a]C[6a]2)	C[6a](N[6,6]P[4,6,6]C[6,6])(C[6a]C[6a]C)2{2|Ir<6>,1|C<3>,2|H<1>,3|N<3>}	C[6a](C[6a]N[6,6]C[6a])(C[6a]C[6a]H)(CH3){1|P<4>,2|C<3>,2|C<4>}	N[6,6](P[4,6,6]N[4,6]2Ir)(C[6,6]N[6,6]Ir)(C[6a]C[6a]2){1|P<3>,3|C<3>,4|C<4>}	119.4035	2.204	2	119.4035	4.858	2	119.4035	4.858	2	118.6347	0.601	21	119.8015	3.449	125	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6,6]	3:3:3:	3:3:4:	4:4:3:	N[6,6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6,6]-4:C[3x6]-4:C[6a]-3:	C[6a](N[6,6]C[3x6]C[6,6])(C[6a]C[6a]C)2	C[6a](C[6a]N[6,6]C[6a])(C[6a]C[6a]H)(CCCH)	N[6,6](C[6,6]C[3x6]B[5a]H)(C[3x6]C[6,6]2C)(C[6a]C[6a]2)	C[6a](N[6,6]C[3x6]C[6,6])(C[6a]C[6a]C)2{1|B<3>,1|C<3>,3|H<1>,4|C<4>}	C[6a](C[6a]N[6,6]C[6a])(C[6a]C[6a]H)(CCCH){1|C<3>,1|H<1>,3|C<4>}	N[6,6](C[6,6]C[3x6]B[5a]H)(C[3x6]C[6,6]2C)(C[6a]C[6a]2){2|C<3>,2|O<2>,4|H<1>,5|C<4>}	120.3835	2.408	2	120.3835	5.797	2	120.3835	5.797	2	120.3835	5.797	2	119.8015	3.449	125	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	2:3:3:	3:2:1:	3:3:3:	N[6a]-2:C[6a]-3:N[6]-3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]Cl)(N[6]C[6]2)	C[6a](C[6a]N[6a]N[6])(N[6a]C[6a,6a])(Cl)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]H)2	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]Cl)(N[6]C[6]2){2|H<1>,4|C<3>}	C[6a](C[6a]N[6a]N[6])(N[6a]C[6a,6a])(Cl){4|C<3>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6]H)2{1|Cl<1>,1|N<2>,2|C<3>,2|H<1>}	122.4670	0.000	1	122.4670	0.000	1	122.4670	0.000	1	122.4670	0.000	1	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	2:3:3:	3:2:1:	3:4:4:	N[6a]-2:C[6a]-3:N[6]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(N[6]C[6]2)	C[6a](C[6a]N[6a]N[6])(N[6a]C[6a,6a])(H)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(N[6]C[6]2){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]N[6a]N[6])(N[6a]C[6a,6a])(H){2|C<3>,2|C<4>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|C<3>,1|N<2>,1|S<2>,5|H<1>}	120.8770	0.000	1	120.8770	0.000	1	120.8770	0.000	1	120.8770	0.000	1	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	2:3:3:	3:3:1:	3:3:3:	N[6a]-2:N[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(N[6]C[6,6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N[6])(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(N[6]C[6,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N[6])(H){4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]N[6a]){1|C<4>,3|H<1>,6|C<3>}	120.9490	0.000	1	119.7332	0.929	4	119.7332	0.929	4	119.7332	0.929	4	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	2:3:3:	3:3:1:	3:3:3:	N[6a]-2:N[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(N[6]C[6,6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N[6])(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(N[6]C[6,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N[6])(H){4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]N[6a]){1|O<2>,3|H<1>,6|C<3>}	119.5985	0.613	2	119.7332	0.929	4	119.7332	0.929	4	119.7332	0.929	4	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	2:3:3:	3:3:1:	3:3:3:	N[6a]-2:N[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(N[6]C[6,6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N[6])(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(N[6]C[6,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N[6])(H){4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]N[6a]){1|S<2>,3|H<1>,6|C<3>}	118.7870	0.000	1	119.7332	0.929	4	119.7332	0.929	4	119.7332	0.929	4	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	2:3:3:	3:3:1:	3:4:4:	N[6a]-2:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]F)(N[6]C[6]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N[6])(F)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]F)(N[6]C[6]2){1|C<3>,1|N<2>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N[6])(F){2|C<3>,2|C<4>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|F<1>,1|N<3>,2|C<3>,4|H<1>}	123.1020	0.000	1	124.0580	1.828	2	124.0580	1.828	2	122.7002	1.098	10	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	2:3:3:	3:3:1:	3:4:4:	N[6a]-2:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]F)(N[6]C[6]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N[6])(F)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]F)(N[6]C[6]2){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N[6])(F){2|C<3>,2|C<4>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|F<1>,1|N<4>,2|C<3>,4|H<1>}	125.0140	0.000	1	124.0580	1.828	2	124.0580	1.828	2	122.7002	1.098	10	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	2:3:3:	3:3:1:	3:4:4:	N[6a]-2:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]N[6a]N[6])(C[6a]C[6,6a]H)(H)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,3|C<4>,5|H<1>}	C[6a](C[6a]N[6a]N[6])(C[6a]C[6,6a]H)(H){2|C<3>,2|C<4>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|C<4>,2|C<3>,5|H<1>}	122.8990	0.000	1	122.7835	0.027	2	122.3607	0.493	8	122.7002	1.098	10	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	2:3:3:	3:3:1:	3:4:4:	N[6a]-2:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]N[6a]N[6])(C[6a]C[6,6a]H)(H)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,3|C<4>,5|H<1>}	C[6a](C[6a]N[6a]N[6])(C[6a]C[6,6a]H)(H){2|C<3>,2|C<4>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|O<2>,2|C<3>,5|H<1>}	122.6680	0.000	1	122.7835	0.027	2	122.3607	0.493	8	122.7002	1.098	10	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	2:3:3:	3:3:1:	3:4:4:	N[6a]-2:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N[6])(H)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N[6])(H){2|C<3>,2|C<4>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|O<2>,2|C<3>,5|H<1>}	122.1665	0.008	2	121.7127	0.618	3	122.3607	0.493	8	122.7002	1.098	10	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	2:3:3:	3:3:1:	3:4:4:	N[6a]-2:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N[6])(H)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(N[6]C[6]2){2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N[6])(H){2|C<3>,2|C<4>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|O<2>,2|C<3>,5|H<1>}	120.8050	0.000	1	121.7127	0.618	3	122.3607	0.493	8	122.7002	1.098	10	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	2:3:3:	3:3:1:	3:4:4:	N[6a]-2:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]N[6a,6a]O)(C[6a]N[6a]N[6])(H)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	C[6a](C[6a]N[6a,6a]O)(C[6a]N[6a]N[6])(H){2|C<3>,2|C<4>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|O<2>,2|C<3>,5|H<1>}	122.7270	0.288	3	122.7270	0.083	3	122.3607	0.493	8	122.7002	1.098	10	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	2:3:3:	3:3:3:	3:4:4:	N[6a]-2:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(C[6a]N[6a]N[6])	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6]C[6]2){1|N<2>,2|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(C[6a]N[6a]N[6]){1|H<1>,2|C<4>,4|C<3>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|N<3>,3|C<3>,4|H<1>}	120.0780	0.000	1	120.0780	0.000	1	120.0780	0.000	1	120.0780	0.000	1	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:2:3:	3:3:1:	3:3:3:	C[6a]-3:N[6a]-2:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[6]C[6]2)	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]N[6a])(C[6]C[6,6a]H)(C[6]C[6]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[6]C[6]2){1|N<2>,3|C<3>,3|H<1>}	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6,6a]H)(C[6]C[6]N){2|H<1>,4|C<3>}	121.0960	0.000	1	121.0960	0.000	1	121.1395	6.877	6	121.1395	6.877	6	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:2:3:	3:3:1:	3:3:3:	C[6a]-3:N[6a]-2:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[6]C[6]2)	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]N[6a])(C[6]C[6,6a]O)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[6]C[6]2){2|H<1>,2|O<1>,3|C<3>}	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,3|C<3>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6,6a]O)2{1|H<1>,5|C<3>}	119.5500	0.000	1	118.7640	1.236	2	121.1395	6.877	6	121.1395	6.877	6	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:2:3:	3:3:1:	3:3:3:	C[6a]-3:N[6a]-2:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[6]C[6]2)	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]N[6a])(C[6]C[6,6a]O)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[6]C[6]2){2|H<1>,2|O<1>,3|C<3>}	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6,6a]O)2{1|H<1>,5|C<3>}	117.9780	0.000	1	118.7640	1.236	2	121.1395	6.877	6	121.1395	6.877	6	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:2:3:	3:3:1:	3:3:3:	C[6a]-3:N[6a]-2:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[6]C[6]2)	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(C[6]C[6]P)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[6]C[6]2){1|P<3>,3|C<3>,3|H<1>}	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(C[6]C[6]P){3|C<3>,3|H<1>}	122.7377	2.664	3	122.7377	7.099	3	121.1395	6.877	6	121.1395	6.877	6	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:2:3:	3:3:1:	3:4:3:	C[6a]-3:N[6a]-2:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[6]C[6]2)	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)(C[6]N[6]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[6]C[6]2){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)(C[6]N[6]H){1|C<4>,3|C<3>,3|H<1>}	120.9730	0.000	1	120.9730	0.000	1	120.9730	0.000	1	120.9730	0.000	1	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:2:3:	3:3:1:	3:4:4:	C[6a]-3:N[6a]-2:N[6]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(N[6]C[6]2)	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(Cl)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(N[6]C[6]2){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,2|C<4>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|Cl<1>,1|O<2>,2|C<3>,4|H<1>}	122.0320	0.000	1	122.0320	0.000	1	122.0320	0.000	1	121.9687	1.372	27	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:2:3:	3:3:1:	3:4:4:	C[6a]-3:N[6a]-2:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[6]C[6]2)	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]2)(H)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[6]C[6]2){2|C<3>,3|C<4>,4|H<1>}	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]2)(H){3|C<3>,3|C<4>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|N<4>,2|C<3>,5|H<1>}	120.2260	0.000	1	120.2260	0.000	1	121.9663	1.427	26	121.9687	1.372	27	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:2:3:	3:3:1:	3:4:4:	C[6a]-3:N[6a]-2:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[6]C[6]2)	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|N<3>,2|C<3>,5|H<1>}	121.6874	1.446	10	121.7040	1.583	13	121.9663	1.427	26	121.9687	1.372	27	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:2:3:	3:3:1:	3:4:4:	C[6a]-3:N[6a]-2:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[6]C[6]2)	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|N<4>,2|C<3>,5|H<1>}	121.4770	0.000	1	121.7040	1.583	13	121.9663	1.427	26	121.9687	1.372	27	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:2:3:	3:3:1:	3:4:4:	C[6a]-3:N[6a]-2:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[6]C[6]2)	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|N<3>,2|C<3>,5|H<1>}	121.7390	0.000	1	121.7040	1.583	13	121.9663	1.427	26	121.9687	1.372	27	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:2:3:	3:3:1:	3:4:4:	C[6a]-3:N[6a]-2:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[6]C[6]2)	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[6]C[6]2){2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|O<2>,2|C<3>,5|H<1>}	122.0620	0.000	1	121.7040	1.583	13	121.9663	1.427	26	121.9687	1.372	27	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:2:3:	3:3:1:	3:4:4:	C[6a]-3:N[6a]-2:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[6]C[6]2)	C[6a](C[6a]N[6a]N[6])(C[6a]N[6a]C)(H)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[6]C[6]2){1|N<2>,1|N<3>,3|C<4>,4|H<1>}	C[6a](C[6a]N[6a]N[6])(C[6a]N[6a]C)(H){1|C<3>,2|C<4>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|C<4>,2|C<3>,5|H<1>}	123.1370	0.000	1	123.1370	0.000	1	121.9663	1.427	26	121.9687	1.372	27	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:2:3:	3:3:1:	3:4:4:	C[6a]-3:N[6a]-2:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[6]C[6]2)	C[6a](C[6a]N[6a]N[6])(C[6a]N[6a]Cl)(H)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[6]C[6]2){1|Cl<1>,1|N<2>,1|N<3>,2|C<4>,4|H<1>}	C[6a](C[6a]N[6a]N[6])(C[6a]N[6a]Cl)(H){1|C<3>,2|C<4>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|C<4>,2|C<3>,5|H<1>}	122.1415	0.579	2	122.3145	0.496	4	121.9663	1.427	26	121.9687	1.372	27	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:2:3:	3:3:1:	3:4:4:	C[6a]-3:N[6a]-2:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[6]C[6]2)	C[6a](C[6a]N[6a]N[6])(C[6a]N[6a]Cl)(H)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[6]C[6]2){1|Cl<1>,1|N<2>,1|N<3>,2|C<4>,4|H<1>}	C[6a](C[6a]N[6a]N[6])(C[6a]N[6a]Cl)(H){1|C<3>,2|C<4>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|O<2>,2|C<3>,5|H<1>}	121.7690	0.000	1	122.3145	0.496	4	121.9663	1.427	26	121.9687	1.372	27	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:2:3:	3:3:1:	3:4:4:	C[6a]-3:N[6a]-2:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[6]C[6]2)	C[6a](C[6a]N[6a]N[6])(C[6a]N[6a]Cl)(H)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[6]C[6]2){1|Cl<1>,1|N<2>,1|S<2>,2|C<4>,4|H<1>}	C[6a](C[6a]N[6a]N[6])(C[6a]N[6a]Cl)(H){1|C<3>,2|C<4>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|C<4>,2|C<3>,5|H<1>}	123.2060	0.000	1	122.3145	0.496	4	121.9663	1.427	26	121.9687	1.372	27	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:2:3:	3:3:1:	3:4:4:	C[6a]-3:N[6a]-2:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[6]C[6]2)	C[6a](C[6a]N[6a]N[6])(C[6a]N[6a]N)(H)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[6]C[6]2){1|N<2>,1|N<3>,1|O<2>,2|C<4>,4|H<1>}	C[6a](C[6a]N[6a]N[6])(C[6a]N[6a]N)(H){1|C<3>,2|C<4>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|O<2>,2|C<3>,5|H<1>}	123.4210	0.267	2	123.4210	0.071	2	121.9663	1.427	26	121.9687	1.372	27	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:2:3:	3:3:1:	3:4:4:	C[6a]-3:N[6a]-2:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[6]C[6]2)	C[6a](C[6a]N[6a]N[6])(C[6a]N[6a]O)(H)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[6]C[6]2){1|N<2>,1|N<3>,1|O<2>,2|C<4>,4|H<1>}	C[6a](C[6a]N[6a]N[6])(C[6a]N[6a]O)(H){1|C<3>,2|C<4>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|C<4>,2|C<3>,5|H<1>}	123.6180	0.000	1	123.6180	0.000	1	121.9663	1.427	26	121.9687	1.372	27	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:2:3:	3:3:1:	3:4:4:	C[6a]-3:N[6a]-2:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[6]C[6]2)	C[6a](C[6a]N[6a]N[6])2(H)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[6]C[6]2){1|N<2>,2|C<4>,2|N<3>,4|H<1>}	C[6a](C[6a]N[6a]N[6])2(H){1|C<3>,4|C<4>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|C<4>,2|C<3>,5|H<1>}	122.1130	0.000	1	122.1130	0.000	1	121.9663	1.427	26	121.9687	1.372	27	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:2:3:	3:3:1:	3:4:4:	C[6a]-3:N[6a]-2:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(N[6]C[6]2)	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]2)(H)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(N[6]C[6]2){2|C<3>,3|C<4>,4|H<1>}	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|C<3>,1|N<3>,1|O<2>,5|H<1>}	121.4910	0.000	1	121.4910	0.000	1	121.9663	1.427	26	121.9687	1.372	27	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:2:3:	3:3:1:	3:4:4:	C[6a]-3:N[6a]-2:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(N[6]C[6]2)	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(N[6]C[6]2){1|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|N<2>,2|C<4>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|C<3>,1|N<2>,1|N<3>,5|H<1>}	121.1435	0.879	2	121.1435	0.773	2	121.9663	1.427	26	121.9687	1.372	27	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:2:3:	3:3:2:	3:4:4:	C[6a]-3:N[6a]-2:N[6]-3:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a,6a]C)(N[6a]C[6a])(N[6]C[6]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]N[6])(CN)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6a](C[6a]C[6a,6a]C)(N[6a]C[6a])(N[6]C[6]2){1|C<3>,1|N<2>,1|N<3>,2|C<4>,4|H<1>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]N[6])(CN){2|C<4>,3|C<3>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|C<2>,1|C<4>,2|C<3>,4|H<1>}	124.7150	1.452	2	124.7150	2.109	2	124.7150	2.109	2	123.1031	3.379	9	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:2:3:	3:3:2:	3:4:4:	C[6a]-3:N[6a]-2:N[6]-3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[6]C[6]2)	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]2)(CN)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[6]C[6]2){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]2)(CN){1|C<2>,2|C<4>,3|C<3>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|C<2>,1|C<4>,2|C<3>,4|H<1>}	122.5470	0.000	1	121.3630	2.804	2	122.5847	5.879	3	123.1031	3.379	9	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:2:3:	3:3:2:	3:4:4:	C[6a]-3:N[6a]-2:N[6]-3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[6]C[6]2)	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]2)(CN)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[6]C[6]2){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]2)(CN){1|C<2>,2|C<4>,3|C<3>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|C<2>,1|O<2>,2|C<3>,4|H<1>}	120.1790	0.000	1	121.3630	2.804	2	122.5847	5.879	3	123.1031	3.379	9	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:2:3:	3:3:2:	3:4:4:	C[6a]-3:N[6a]-2:N[6]-3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[6]C[6]2)	C[6a](C[6a]N[6a]N[6])(C[6a]N[6a]N)(CN)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[6]C[6]2){1|N<2>,1|N<3>,2|C<4>,5|H<1>}	C[6a](C[6a]N[6a]N[6])(C[6a]N[6a]N)(CN){1|C<3>,2|C<4>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|C<2>,1|C<4>,2|C<3>,4|H<1>}	125.0280	0.000	1	125.0280	0.000	1	122.5847	5.879	3	123.1031	3.379	9	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:2:3:	3:3:2:	3:4:4:	C[6a]-3:N[6a]-2:N[6]-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(N[6]C[6]2)	C[6a](C[6a]N[6a]N[6])(C[6a]N[6a]O)(NO)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(N[6]C[6]2){1|N<2>,1|N<3>,1|O<2>,2|C<4>,4|H<1>}	C[6a](C[6a]N[6a]N[6])(C[6a]N[6a]O)(NO){1|C<3>,2|C<4>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|C<4>,1|N<2>,2|C<3>,4|H<1>}	122.7870	0.000	1	122.7870	0.000	1	122.0683	0.945	3	123.1031	3.379	9	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:2:3:	3:3:2:	3:4:4:	C[6a]-3:N[6a]-2:N[6]-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(N[6]C[6]2)	C[6a](C[6a]N[6a]N[6])2(NO)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(N[6]C[6]2){1|N<2>,2|C<4>,2|N<3>,4|H<1>}	C[6a](C[6a]N[6a]N[6])2(NO){1|C<3>,4|C<4>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|N<2>,1|O<2>,2|C<3>,4|H<1>}	121.7090	1.056	2	121.7090	1.116	2	122.0683	0.945	3	123.1031	3.379	9	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:2:3:	3:3:2:	3:4:4:	C[6a]-3:N[6a]-2:N[6]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(N[6]C[6]2)	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]2)(N[6a]N[6a])	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(N[6]C[6]2){1|N<2>,2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]2)(N[6a]N[6a]){2|C<4>,2|H<1>,3|C<3>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|N<2>,1|O<2>,2|C<3>,4|H<1>}	124.5390	0.000	1	124.5390	0.000	1	124.5390	0.000	1	123.1031	3.379	9	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:2:3:	3:3:3:	3:4:4:	C[6a]-3:N[6a]-2:N[6]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[6]C[6]2)	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(CNO)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(CNO){1|C<3>,1|H<1>,2|C<4>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|O<2>,3|C<3>,4|H<1>}	120.8760	0.000	1	120.8760	0.000	1	121.6119	0.453	7	122.0310	1.794	8	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:2:3:	3:3:3:	3:4:4:	C[6a]-3:N[6a]-2:N[6]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[6]C[6]2)	C[6a](C[6a]N[6a]N[6])(C[6a]N[6a]Cl)(CHO)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[6]C[6]2){1|Cl<1>,1|N<2>,1|N<3>,2|C<4>,4|H<1>}	C[6a](C[6a]N[6a]N[6])(C[6a]N[6a]Cl)(CHO){1|C<3>,2|C<4>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|C<4>,3|C<3>,4|H<1>}	122.1000	0.000	1	122.2030	0.021	2	121.6119	0.453	7	122.0310	1.794	8	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:2:3:	3:3:3:	3:4:4:	C[6a]-3:N[6a]-2:N[6]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[6]C[6]2)	C[6a](C[6a]N[6a]N[6])(C[6a]N[6a]Cl)(CHO)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[6]C[6]2){1|Cl<1>,1|N<2>,1|N<3>,2|C<4>,4|H<1>}	C[6a](C[6a]N[6a]N[6])(C[6a]N[6a]Cl)(CHO){1|C<3>,2|C<4>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|O<2>,3|C<3>,4|H<1>}	122.3060	0.000	1	122.2030	0.021	2	121.6119	0.453	7	122.0310	1.794	8	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:2:3:	3:3:3:	3:4:4:	C[6a]-3:N[6a]-2:N[6]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[6]C[6]2)	C[6a](C[6a]N[6a]N[6])(C[6a]N[6a]N)(CHO)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[6]C[6]2){1|N<2>,2|C<4>,2|N<3>,4|H<1>}	C[6a](C[6a]N[6a]N[6])(C[6a]N[6a]N)(CHO){1|C<3>,2|C<4>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|C<4>,3|C<3>,4|H<1>}	120.8840	0.000	1	120.8840	0.000	1	121.6119	0.453	7	122.0310	1.794	8	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:2:3:	3:3:3:	3:4:4:	C[6a]-3:N[6a]-2:N[6]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[6]C[6]2)	C[6a](C[6a]N[6a]N[6])2(CCH)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[6]C[6]2){1|N<2>,2|C<4>,2|N<3>,4|H<1>}	C[6a](C[6a]N[6a]N[6])2(CCH){1|C<3>,4|C<4>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|C<4>,3|C<3>,4|H<1>}	121.7057	0.672	3	121.7057	0.452	3	121.6119	0.453	7	122.0310	1.794	8	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:2:3:	3:3:3:	3:4:4:	C[6a]-3:N[6a]-2:N[6]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(N[6]C[6]2)	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(NOO)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(NOO){1|C<3>,1|N<3>,2|C<4>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	124.9650	0.000	1	124.9650	0.000	1	124.9650	0.000	1	122.0310	1.794	8	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:2:3:	3:3:4:	3:4:4:	C[6a]-3:N[6a]-2:N[6]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[6]C[6]2)	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(CC[6a]HH)	N[6](C[6a]C[6a]N[6a])(C[6]C[6a]C[6]H)(C[6]C[6]HH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[6]C[6]2){2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(CC[6a]HH){1|C<3>,1|H<1>,2|C<4>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6a]C[6]H)(C[6]C[6]HH){1|C<4>,1|N<4>,4|C<3>,4|H<1>}	117.5570	0.000	1	117.5570	0.000	1	117.5570	0.000	1	117.5570	0.000	1	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:2:	N[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6,6]-3:C[6a]-3:N[6]-2:	C[6a](N[6]C[6,6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]N[6a])(N[6]C[6,6])	C[6a](N[6]C[6,6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	N[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]N[6a])(N[6]C[6,6]){1|H<1>,1|O<1>,6|C<3>}	119.2460	0.000	1	119.2460	0.000	1	119.2460	0.000	1	119.2230	0.044	3	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:2:	N[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6a](N[6]C[6,6a]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]N[6a])(N[6]C[6])	C[6a](N[6]C[6,6a]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]N[6a])(N[6]C[6]){1|N<2>,2|H<1>,5|C<3>}	119.2115	0.295	2	119.2115	0.087	2	119.2115	0.087	2	119.2230	0.044	3	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:3:	N[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]N[6a])	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,5|C<3>}	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(H){4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]N[6a]){1|C<4>,3|H<1>,6|C<3>}	119.6310	0.000	1	119.6310	0.000	1	119.6310	0.000	1	119.1623	0.330	3	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:3:	N[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]N[6a])(C[6]C[6]O)	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]N[6a])(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	118.9280	0.576	2	118.9280	0.331	2	118.9280	0.331	2	119.1623	0.330	3	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:4:	N[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6,6]-3:C[6a]-3:C[6]-4:	C[6a](N[6]C[6,6]C[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6]N[6,6]N[6])(C[6a]C[6a]N[6a])(C[6]C[6]HH)	C[6a](N[6]C[6,6]C[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<2>,1|N<3>,4|H<1>}	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,2|C<3>}	N[6](C[6,6]N[6,6]N[6])(C[6a]C[6a]N[6a])(C[6]C[6]HH){2|C<3>,3|C<4>,3|H<1>}	122.6290	0.000	1	121.6121	2.932	7	121.8994	3.173	8	121.8994	3.173	8	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:4:	N[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6,6]-3:C[6a]-3:C[6]-4:	C[6a](N[6]C[6,6]C[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6]N[6,6]N[6])(C[6a]C[6a]N[6a])(C[6]C[6]HH)	C[6a](N[6]C[6,6]C[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<2>,2|N<3>,3|H<1>}	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	N[6](C[6,6]N[6,6]N[6])(C[6a]C[6a]N[6a])(C[6]C[6]HH){2|C<3>,3|C<4>,3|H<1>}	122.8610	1.466	3	121.6121	2.932	7	121.8994	3.173	8	121.8994	3.173	8	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:4:	N[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6,6]-3:C[6a]-3:C[6]-4:	C[6a](N[6]C[6,6]C[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6]N[6,6]N[6])(C[6a]C[6a]N[6a])(C[6]C[6]HH)	C[6a](N[6]C[6,6]C[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,2|N<3>,4|H<1>}	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	N[6](C[6,6]N[6,6]N[6])(C[6a]C[6a]N[6a])(C[6]C[6]HH){2|C<3>,3|C<4>,4|H<1>}	119.9770	0.076	2	121.6121	2.932	7	121.8994	3.173	8	121.8994	3.173	8	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:4:	N[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6,6]-3:C[6a]-3:C[6]-4:	C[6a](N[6]C[6,6]C[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6]N[6,6]N[6])(C[6a]C[6a]N[6a])(C[6]C[6]HH)	C[6a](N[6]C[6,6]C[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,3|H<1>,3|N<3>}	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	N[6](C[6,6]N[6,6]N[6])(C[6a]C[6a]N[6a])(C[6]C[6]HH){2|C<3>,3|C<4>,4|H<1>}	120.1190	0.000	1	121.6121	2.932	7	121.8994	3.173	8	121.8994	3.173	8	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:4:	N[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6,6]-3:C[6a]-3:C[6]-4:	C[6a](N[6]C[6,6]C[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]N[6])2(H)	N[6](C[6,6]N[6,6]N[6])(C[6a]C[6a]N[6a])(C[6]C[6]HH)	C[6a](N[6]C[6,6]C[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|N<2>,2|N<3>,3|H<1>}	C[6a](C[6a]N[6a]N[6])2(H){2|C<4>,3|C<3>}	N[6](C[6,6]N[6,6]N[6])(C[6a]C[6a]N[6a])(C[6]C[6]HH){2|C<3>,3|C<4>,3|H<1>}	123.9100	0.000	1	123.9100	0.000	1	121.8994	3.173	8	121.8994	3.173	8	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:4:2:	N[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:N[6]-2:	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]N[6a])(C[6]C[6,6a]HN)(N[6]C[6])	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6,6a]HN)(N[6]C[6]){2|H<1>,4|C<3>}	121.0780	0.000	1	121.0780	0.000	1	121.5220	0.394	2	121.5220	0.394	2	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:4:2:	N[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:N[6]-2:	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]N[6a])(C[6]N[6]HO)(N[6]C[6])	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	N[6](C[6a]C[6a]N[6a])(C[6]N[6]HO)(N[6]C[6]){1|H<1>,1|N<3>,4|C<3>}	121.9660	0.000	1	121.9660	0.000	1	121.5220	0.394	2	121.5220	0.394	2	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:4:3:	N[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:N[6]-3:	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]CH)(N[6]C[6]H)	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,3|C<4>,4|H<1>}	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6]CH)(N[6]C[6]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	121.6810	0.000	1	121.6810	0.000	1	121.3910	0.208	3	121.3910	0.208	3	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:4:3:	N[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:N[6]-3:	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)(N[6]C[6]C)	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)(N[6]C[6]C){1|C<4>,3|C<3>,4|H<1>}	121.6270	0.000	1	121.6270	0.000	1	121.3910	0.208	3	121.3910	0.208	3	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:4:3:	N[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:N[6]-3:	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HN)(N[6]C[6]C)	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HN)(N[6]C[6]C){3|C<3>,4|H<1>}	120.8650	0.000	1	120.8650	0.000	1	121.3910	0.208	3	121.3910	0.208	3	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:4:4:	N[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:P[6]-4:	C[6a](N[6]C[6]P[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]N[6a])(C[6]C[6,6a]HH)(P[6]O[6]OO)	C[6a](N[6]C[6]P[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|O<1>,2|C<3>,2|O<2>,3|H<1>}	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|P<4>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6,6a]HH)(P[6]O[6]OO){1|H<1>,4|C<3>}	122.8290	0.000	1	122.8290	0.000	1	122.8290	0.000	1	122.0955	1.076	2	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:4:4:	N[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P[6]-4:C[6]-4:	C[6a](N[6]C[6]P[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]N[6a])(P[6]C[6a]O[6]O)(C[6]C[6,6a]HH)	C[6a](N[6]C[6]P[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|P<4>}	N[6](C[6a]C[6a]N[6a])(P[6]C[6a]O[6]O)(C[6]C[6,6a]HH){1|H<1>,6|C<3>}	121.3620	0.000	1	121.3620	0.000	1	121.3620	0.000	1	122.0955	1.076	2	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:2:	3:3:1:	4:3:4:	N[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	P[6,6]-4:C[6a]-3:C[6]-4:	C[6a](N[6]P[6,6]C[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]C)(H)	N[6](P[6,6]N[6]2O[6])(C[6a]C[6a]N[6a])(C[6]C[6,6a]HH)	C[6a](N[6]P[6,6]C[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|O<2>,2|C<3>,2|N<2>,3|H<1>}	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|H<1>,1|P<4>}	N[6](P[6,6]N[6]2O[6])(C[6a]C[6a]N[6a])(C[6]C[6,6a]HH){1|H<1>,2|P<4>,4|C<3>}	121.8570	0.000	1	121.2650	0.701	2	121.9428	0.882	4	121.9428	0.882	4	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:2:	3:3:1:	4:3:4:	N[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	P[6,6]-4:C[6a]-3:C[6]-4:	C[6a](N[6]P[6,6]C[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]C)(H)	N[6](P[6,6]N[6]2O[6])(C[6a]C[6a]N[6a])(C[6]C[6,6a]HH)	C[6a](N[6]P[6,6]C[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|C<3>,2|C<4>,2|H<1>,2|N<2>}	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|H<1>,1|P<4>}	N[6](P[6,6]N[6]2O[6])(C[6a]C[6a]N[6a])(C[6]C[6,6a]HH){1|H<1>,2|P<4>,4|C<3>}	120.6730	0.000	1	121.2650	0.701	2	121.9428	0.882	4	121.9428	0.882	4	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:2:	3:3:1:	4:3:4:	N[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	P[6,6]-4:C[6a]-3:C[6]-4:	C[6a](N[6]P[6,6]C[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(H)	N[6](P[6,6]N[6]2O[6])(C[6a]C[6a]N[6a])(C[6]C[6,6a]HH)	C[6a](N[6]P[6,6]C[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|O<2>,2|C<3>,2|N<2>,3|H<1>}	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|P<4>}	N[6](P[6,6]N[6]2O[6])(C[6a]C[6a]N[6a])(C[6]C[6,6a]HH){1|H<1>,2|P<4>,4|C<3>}	122.6205	0.329	2	122.6205	0.108	2	121.9428	0.882	4	121.9428	0.882	4	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:2:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(N[6a]C[6a])(H)	N[6](C[6a]C[6a]2)(C[6]C[6]O)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(N[6]C[6]2){1|C<3>,1|H<1>,2|C<4>,2|O<1>}	C[6a](C[6a]C[6a]N[6])(N[6a]C[6a])(H){2|H<1>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]O)2{1|C<3>,1|N<2>,1|N<3>,6|H<1>}	119.0140	0.000	1	119.0140	0.000	1	119.0140	0.000	1	118.9720	0.004	2	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:2:1:	3:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]N[6])(N[6a]C[6a])(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)(C[6a]N[6a]H){1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6])(N[6a]C[6a])(H){1|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|C<4>,1|N<2>,4|H<1>,5|C<3>}	118.9300	0.000	1	118.9300	0.000	1	118.9300	0.000	1	118.9720	0.004	2	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:2:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(N[6a]C[6a])(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(N[6]C[6]2){1|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]N[6])(N[6a]C[6a])(H){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<3>,1|N<2>,1|N<3>,6|H<1>}	121.9700	0.000	1	121.9700	0.000	1	121.9700	0.000	1	121.9700	0.000	1	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:2:4:	3:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)(C[6a]N[6a]C)	C[6a](C[6a]C[6a]N[6])(N[6a]C[6a])(CH3)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)(C[6a]N[6a]C){1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6])(N[6a]C[6a])(CH3){1|H<1>,1|N<3>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|N<2>,2|C<4>,3|H<1>,5|C<3>}	120.1870	0.000	1	120.1870	0.000	1	120.1870	0.000	1	120.1870	0.000	1	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:2:4:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[5,6a]H)(C[6a]N[6a]C)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(N[6a]C[5,6a])(CC[6a]HH)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[5,6a]H)(C[6a]N[6a]C)(N[6]C[6]2){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(N[6a]C[5,6a])(CC[6a]HH){1|C<3>,1|H<1>,3|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<3>,1|C<4>,1|N<2>,1|O<2>,5|H<1>}	116.8250	0.000	1	116.8250	0.000	1	116.8250	0.000	1	116.8250	0.000	1	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:2:4:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-2:B[6]-4:	C[6a](N[6]B[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(N[6]C[6,6a])(B[6]O[6]FF)	C[6a](N[6]B[6]N[6])(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|F<1>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|N<2>,2|H<1>}	N[6](C[6a]C[6a]2)(N[6]C[6,6a])(B[6]O[6]FF){2|H<1>,4|C<3>}	119.4800	1.295	2	119.4800	1.678	2	119.4800	1.678	2	119.4800	1.678	2	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-2:	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]C)(H)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6])	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]H)2{1|N<3>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]C)(H){1|C<2>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]){1|C<4>,3|H<1>,5|C<3>}	119.3305	0.033	2	119.3305	0.001	2	119.3305	0.001	2	119.5079	0.987	145	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6a](N[6]C[6,6a]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6])	C[6a](N[6]C[6,6a]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]){1|N<2>,1|O<2>,2|H<1>,5|C<3>}	120.3535	0.281	2	120.3535	0.079	2	119.5081	0.843	66	119.5079	0.987	145	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6a](N[6]C[6,6a]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6,6a]N[6a])(C[6a]C[6a]2)(N[6]C[6])	C[6a](N[6]C[6,6a]N[6])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6,6a]N[6a])(C[6a]C[6a]2)(N[6]C[6]){2|H<1>,6|C<3>}	119.3370	1.476	2	119.3370	2.180	2	119.5081	0.843	66	119.5079	0.987	145	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6a](N[6]C[6,6a]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6])	C[6a](N[6]C[6,6a]N[6])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,1|N<2>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]){1|N<2>,3|H<1>,5|C<3>}	120.1912	1.138	6	119.4714	0.808	60	119.5081	0.843	66	119.5079	0.987	145	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6a](N[6]C[6,6a]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6])	C[6a](N[6]C[6,6a]N[6])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]){1|N<2>,3|H<1>,5|C<3>}	119.8830	0.305	2	119.4714	0.808	60	119.5081	0.843	66	119.5079	0.987	145	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6a](N[6]C[6,6a]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6])	C[6a](N[6]C[6,6a]N[6])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]){1|C<4>,1|N<2>,3|H<1>,4|C<3>}	119.1829	0.563	16	119.4714	0.808	60	119.5081	0.843	66	119.5079	0.987	145	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6a](N[6]C[6,6a]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6])	C[6a](N[6]C[6,6a]N[6])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]){1|N<2>,3|H<1>,5|C<3>}	119.4568	0.949	36	119.4714	0.808	60	119.5081	0.843	66	119.5079	0.987	145	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6a](N[6]C[6,6a]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]2)(N[6]C[6])	C[6a](N[6]C[6,6a]N[6])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]2)(N[6]C[6]){2|H<1>,2|S<2>,4|C<3>}	119.9345	1.722	2	119.9345	2.965	2	119.5081	0.843	66	119.5079	0.987	145	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:N[6]-2:	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(N[6]C[6])	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(N[6]C[6]){1|C<2>,1|C<4>,2|H<1>,5|C<3>}	119.9500	0.492	4	119.9500	0.242	4	119.5031	0.529	8	119.5079	0.987	145	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:N[6]-2:	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6a]N[6])(C[6a]C[6a]2)(N[6]C[6,6a])	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[6](C[6]C[6a]N[6])(C[6a]C[6a]2)(N[6]C[6,6a]){2|H<1>,6|C<3>}	119.0563	0.677	4	119.0563	0.459	4	119.5031	0.529	8	119.5079	0.987	145	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:O[6]-2:	C[6a](N[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(O[6]C[6])	C[6a](N[6]C[6]O[6])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	N[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(O[6]C[6]){1|C<4>,3|H<1>,4|C<3>}	119.6925	2.036	2	119.6925	4.144	2	119.6925	4.144	2	119.5079	0.987	145	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:N[6]-2:	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6])	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]N){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<2>}	N[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]){1|N<2>,3|C<3>,3|H<1>}	117.5000	0.000	1	117.5000	0.000	1	119.5082	1.202	67	119.5079	0.987	145	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:N[6]-2:	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]Br)(H)	N[6](C[6a]C[6a]2)(C[6]N[6]O)(N[6]C[6])	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)2{1|Br<1>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]Br)(H){1|N<2>,2|C<3>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]N[6]O)(N[6]C[6]){1|C<2>,1|N<2>,2|H<1>,3|C<3>}	118.9315	0.197	8	118.9315	0.039	8	119.5082	1.202	67	119.5079	0.987	145	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:N[6]-2:	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6])	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]){1|C<4>,3|C<3>,3|H<1>}	120.6855	2.205	2	120.6855	4.864	2	119.5082	1.202	67	119.5079	0.987	145	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:N[6]-2:	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]O)(N[6]C[6])	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,1|N<2>,2|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]O)(N[6]C[6]){1|C<4>,3|C<3>,4|H<1>}	119.8885	2.136	2	119.6433	0.661	10	119.5082	1.202	67	119.5079	0.987	145	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:N[6]-2:	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]O)(N[6]C[6])	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]O)(N[6]C[6]){1|C<4>,3|C<3>,4|H<1>}	119.6520	0.805	2	119.6433	0.661	10	119.5082	1.202	67	119.5079	0.987	145	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:N[6]-2:	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]O)(N[6]C[6])	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]O)(N[6]C[6]){1|O<2>,3|C<3>,4|H<1>}	119.4670	0.346	4	119.6433	0.661	10	119.5082	1.202	67	119.5079	0.987	145	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:N[6]-2:	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]O)(N[6]C[6])	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]O)(N[6]C[6]){2|C<3>,2|C<4>,4|H<1>}	119.7420	0.342	2	119.6433	0.661	10	119.5082	1.202	67	119.5079	0.987	145	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:N[6]-2:	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]N[6]C)(N[6]C[6])	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[6](C[6a]C[6a]2)(C[6]N[6]C)(N[6]C[6]){1|N<3>,2|H<1>,3|C<3>}	119.5630	1.503	2	119.5630	2.260	2	119.5082	1.202	67	119.5079	0.987	145	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:N[6]-2:	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]N[6]O)(N[6]C[6])	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)2{1|Br<1>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]N[6]O)(N[6]C[6]){1|C<2>,1|N<2>,2|H<1>,3|C<3>}	119.4640	0.341	8	119.5720	1.306	44	119.5082	1.202	67	119.5079	0.987	145	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:N[6]-2:	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]N[6]O)(N[6]C[6])	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[6](C[6a]C[6a]2)(C[6]N[6]O)(N[6]C[6]){1|N<2>,2|H<1>,4|C<3>}	120.1018	2.228	6	119.5720	1.306	44	119.5082	1.202	67	119.5079	0.987	145	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:N[6]-2:	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]N[6]O)(N[6]C[6])	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]N[6]O)(N[6]C[6]){1|C<2>,1|N<2>,2|H<1>,3|C<3>}	119.2480	0.754	8	119.5720	1.306	44	119.5082	1.202	67	119.5079	0.987	145	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:N[6]-2:	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]N[6]O)(N[6]C[6])	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]N[6]O)(N[6]C[6]){1|N<2>,2|H<1>,4|C<3>}	119.4674	1.092	18	119.5720	1.306	44	119.5082	1.202	67	119.5079	0.987	145	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:N[6]-2:	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]N[6]O)(N[6]C[6])	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]N[6]O)(N[6]C[6]){1|N<3>,2|H<1>,4|C<3>}	120.1112	0.876	4	119.5720	1.306	44	119.5082	1.202	67	119.5079	0.987	145	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]H)(N[6]C[6]2)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]N[6])(H)	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]H)2	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]H)(N[6]C[6]2){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]N[6])(H){1|N<3>,1|O<1>,5|C<3>}	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]H)2{3|H<1>,4|C<3>}	116.7710	0.000	1	116.7710	0.000	1	116.7710	0.000	1	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]C)(C[6]C[6]N)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]2){1|N<3>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]C)(C[6]C[6]N){1|C<2>,1|C<4>,1|H<1>,4|C<3>}	119.3070	0.000	1	119.4710	0.054	2	119.6290	0.102	3	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]C)(C[6]C[6]N)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]2){1|N<3>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]C)(C[6]C[6]N){1|C<4>,1|H<1>,5|C<3>}	119.6350	0.000	1	119.4710	0.054	2	119.6290	0.102	3	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]C)(C[6]N[6]S)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]2){1|C<4>,1|N<2>,1|S<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]C)(C[6]N[6]S){2|H<1>,4|C<3>}	119.9450	0.000	1	119.9450	0.000	1	119.6290	0.102	3	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:N[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6]C[6,6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]N[6])(C[6a]C[6a,6a]H)(H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6]C[6,6a]2)(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[6a](C[6a]C[6a,6a]N[6])(C[6a]C[6a,6a]H)(H){5|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a]){1|N<3>,2|H<1>,8|C<3>}	119.4950	0.000	1	119.4950	0.000	1	120.3097	3.919	6	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:N[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(N[6]C[6,6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]N[6])(C[6a]C[6,6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(N[6]C[6,6a]2)(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[6a](C[6a]C[6a,6a]N[6])(C[6a]C[6,6a]H)(H){5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a,6a]C[6a]){1|O<2>,3|H<1>,7|C<3>}	120.1700	0.000	1	121.7863	1.998	3	120.3097	3.919	6	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:N[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(N[6]C[6,6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]N[6])(C[6a]C[6,6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(N[6]C[6,6a]2)(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[6a](C[6a]C[6a,6a]N[6])(C[6a]C[6,6a]H)(H){5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a,6a]C[6a]){1|S<2>,3|H<1>,7|C<3>}	122.5945	0.279	2	121.7863	1.998	3	120.3097	3.919	6	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:N[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6]C[6,6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6]C[6,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,6|C<3>}	C[6a](C[6a]C[6a,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a,6a]C[6a]){1|O<2>,3|H<1>,7|C<3>}	117.5380	0.000	1	118.5020	1.859	2	120.3097	3.919	6	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:N[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6]C[6,6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6]C[6,6a]2)(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[6a](C[6a]C[6a,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a,6a]C[6a]){1|O<2>,3|H<1>,7|C<3>}	119.4660	0.000	1	118.5020	1.859	2	120.3097	3.919	6	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6]-3:C[6]-3:C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]N[6])(H)	N[6](C[6]C[5,6]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,1|H<1>,1|O<2>,2|C<4>,2|O<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]N[6])(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	N[6](C[6]C[5,6]O)2(C[6a]C[6a]2){1|C<4>,4|C<3>,4|H<1>}	117.9520	0.000	1	118.1525	0.080	2	118.3137	0.118	3	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6]-3:C[6]-3:C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]N[6])(H)	N[6](C[6]C[5,6]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,1|H<1>,1|O<2>,2|C<4>,2|O<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]N[6])(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	N[6](C[6]C[5,6]O)2(C[6a]C[6a]2){2|C<3>,3|C<4>,4|H<1>}	118.3530	0.000	1	118.1525	0.080	2	118.3137	0.118	3	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6]-3:C[6]-3:C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]N[6])(H)	N[6](C[6]C[6,6]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,1|H<1>,1|O<2>,2|C<4>,2|O<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]N[6])(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	N[6](C[6]C[6,6]O)2(C[6a]C[6a]2){2|C<3>,3|C<4>,4|H<1>}	118.6360	0.000	1	118.6360	0.000	1	118.3137	0.118	3	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]N[6])(H)	N[6](C[6a]C[6a]2)(C[6]C[6]O)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,1|H<1>,1|O<2>,2|C<4>,2|O<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]N[6])(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]O)2{1|C<4>,2|C<3>,6|H<1>}	116.8220	0.000	1	117.9360	2.482	2	117.9360	2.482	2	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]N[6])(H)	N[6](C[6a]C[6a]2)(C[6]C[6]O)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,1|H<1>,1|O<2>,2|C<4>,2|O<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]N[6])(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]O)2{2|C<3>,3|C<4>,4|H<1>}	119.0500	0.000	1	117.9360	2.482	2	117.9360	2.482	2	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:Br-1:	C[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(Br)	N[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(N[6]C[6]2){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(Br){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]O){1|Br<1>,3|H<1>,4|C<3>}	120.1380	0.000	1	120.1380	0.000	1	120.1380	0.000	1	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(Br)	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]N[6]S)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(N[6]C[6]2){1|C<4>,1|N<3>,1|S<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(Br){2|H<1>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]N[6]S){1|Br<1>,1|C<4>,2|C<3>,3|H<1>}	120.4030	0.000	1	120.4030	0.000	1	120.4030	0.000	1	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]Cl)(Cl)	N[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(N[6]C[6]2){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>,2|O<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]Cl)(Cl){2|H<1>,3|C<3>}	N[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]O){1|Cl<1>,3|H<1>,4|C<3>}	119.4250	0.000	1	119.4250	0.000	1	119.4250	0.000	1	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]Cl)(Cl)	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]N[6]S)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(N[6]C[6]2){1|Cl<1>,1|C<4>,1|H<1>,1|N<3>,1|S<1>,2|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]Cl)(Cl){2|H<1>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]N[6]S){1|Cl<1>,1|C<4>,2|C<3>,3|H<1>}	119.7590	0.000	1	119.7590	0.000	1	120.4637	0.414	11	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(Cl)	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]N[6]S)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(N[6]C[6]2){1|C<4>,1|H<1>,1|S<1>,2|C<3>,2|N<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(Cl){2|H<1>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]N[6]S){1|Cl<1>,1|C<4>,2|C<3>,3|H<1>}	120.4460	0.000	1	120.8618	0.108	4	120.4637	0.414	11	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(Cl)	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]N[6]S)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(N[6]C[6]2){1|C<4>,1|N<3>,1|S<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(Cl){2|H<1>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]N[6]S){1|Cl<1>,1|C<4>,2|C<3>,3|H<1>}	120.8925	0.156	2	120.8618	0.108	4	120.4637	0.414	11	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(Cl)	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]N[6]S)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(N[6]C[6]2){1|C<4>,1|N<3>,1|S<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(Cl){2|H<1>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]N[6]S){1|Cl<1>,1|C<4>,2|H<1>,3|C<3>}	121.2160	0.000	1	120.8618	0.108	4	120.4637	0.414	11	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]Cl)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]Cl)(Cl)	N[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6a](C[6a]C[6a]Cl)2(N[6]C[6]2){1|Cl<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|O<2>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]H)2{2|Cl<1>,2|H<1>,3|C<3>}	119.6960	0.000	1	119.6960	0.000	1	120.4637	0.414	11	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]Cl)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(Cl)	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]N[6]S)	C[6a](C[6a]C[6a]Cl)2(N[6]C[6]2){1|C<4>,1|N<3>,1|S<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(Cl){2|Cl<1>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]N[6]S){2|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	121.0390	0.506	2	121.0390	0.256	2	120.4637	0.414	11	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]Cl)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]O)(Cl)	N[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6a](C[6a]C[6a]Cl)2(N[6]C[6]2){1|Cl<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]O)(Cl){1|Cl<1>,1|O<2>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]H)2{2|Cl<1>,2|H<1>,3|C<3>}	119.9320	0.000	1	119.9320	0.000	1	120.4637	0.414	11	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]Cl)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]N[6a]Cl)(Cl)	N[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6a](C[6a]C[6a]Cl)2(N[6]C[6]2){2|Cl<1>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]N[6a]Cl)(Cl){1|Cl<1>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]H)2{2|Cl<1>,2|H<1>,3|C<3>}	120.0945	0.787	2	120.0945	0.619	2	120.4637	0.414	11	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:F-1:	C[6,6]-3:C[6,6]-3:C[6a]-3:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(N[6]C[6,6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(F)	N[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(N[6]C[6,6]2){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(F){2|H<1>,3|C<3>}	N[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2){1|F<1>,3|C<4>,4|C<3>,5|H<1>}	120.5940	0.000	1	120.5940	0.000	1	120.5940	0.000	1	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:F-1:	C[6]-3:C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]F)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]F)(F)	N[6](C[6]C[6,6a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(N[6]C[6]2){2|F<1>,2|O<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]F)(F){2|F<1>,3|C<3>}	N[6](C[6]C[6,6a]O)2(C[6a]C[6a]2){2|F<1>,5|C<3>}	121.0660	0.201	2	121.0660	0.040	2	121.0660	0.040	2	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(F)	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]N[6]S)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(N[6]C[6]2){1|C<4>,1|N<3>,1|S<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(F){2|H<1>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]N[6]S){1|C<4>,1|F<1>,2|C<3>,3|H<1>}	121.2000	0.000	1	121.2000	0.000	1	121.2000	0.000	1	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	B[6]-3:C[6a]-3:B[6]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]B[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](B[6]C[6,6]C)(C[6a]C[6a]2)(B[6]N[6]C)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]B[6]2){1|Cl<1>,1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,2|B<3>}	N[6](B[6]C[6,6]C)(C[6a]C[6a]2)(B[6]N[6]C){1|Cr<9>,2|C<3>,2|H<1>,3|C<4>}	118.8075	0.192	2	118.8075	0.037	2	118.8075	0.037	2	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[5,6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]C)(H)	N[6](C[5,6]C[5,6a]C[5,6])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[6]C[5,6]2){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]C)(H){2|H<1>,3|C<3>}	N[6](C[5,6]C[5,6a]C[5,6])2(C[6a]C[6a]2){1|C<4>,2|H<1>,8|C<3>}	118.5800	0.000	1	118.5800	0.000	1	119.7125	0.889	4	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[5,6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[6]C[5,6]2){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[6](C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2){2|C<4>,4|H<1>,6|C<3>}	119.8820	0.834	2	119.8820	0.696	2	119.7125	0.889	4	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[5,6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[5,6]C[5,6a]C[5,6])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[6]C[5,6]2){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[6](C[5,6]C[5,6a]C[5,6])2(C[6a]C[6a]2){1|C<4>,2|H<1>,8|C<3>}	120.5060	0.000	1	120.5060	0.000	1	119.7125	0.889	4	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6]-3:C[6,6]-3:C[6a]-3:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(N[6]C[6,6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(N[6]C[6,6]2){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,3|C<3>}	N[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2){1|F<1>,3|C<4>,4|C<3>,5|H<1>}	121.3200	0.000	1	121.3200	0.000	1	119.8718	0.505	27	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6]-3:C[6,6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6,6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]Cl)(H)	N[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[6]C[6,6]2){1|Cl<1>,1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]Cl)(H){2|H<1>,3|C<3>}	N[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2){3|C<4>,4|C<3>,6|H<1>}	120.2230	0.000	1	120.2230	0.000	1	119.8718	0.505	27	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6]-3:C[6,6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6,6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[6]C[6,6]2){1|Cl<1>,1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2){3|C<4>,4|C<3>,6|H<1>}	119.6890	0.000	1	119.7998	0.449	25	119.8718	0.505	27	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6]-3:C[6,6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6,6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[6]C[6,6]2){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,3|C<3>}	N[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2){3|C<4>,4|C<3>,6|H<1>}	119.6445	0.993	2	119.7998	0.449	25	119.8718	0.505	27	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6]-3:C[6,6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6,6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[6]C[6,6]2){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2){1|S<2>,2|C<4>,4|C<3>,6|H<1>}	119.9805	1.535	2	119.7998	0.449	25	119.8718	0.505	27	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6]-3:C[6,6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6,6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[6]C[6,6]2){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2){3|C<4>,4|C<3>,6|H<1>}	120.0418	0.426	6	119.7998	0.449	25	119.8718	0.505	27	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6]-3:C[6,6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6,6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[6]C[6,6]2){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,3|C<3>}	N[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2){3|C<4>,4|C<3>,6|H<1>}	119.8870	0.932	4	119.7998	0.449	25	119.8718	0.505	27	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6]-3:C[6,6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6,6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[6]C[6,6]2){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,3|C<3>}	N[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2){3|C<4>,4|C<3>,6|H<1>}	119.6805	1.203	2	119.7998	0.449	25	119.8718	0.505	27	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6]-3:C[6,6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6,6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[6]C[6,6]2){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2){3|C<4>,4|C<3>,6|H<1>}	119.6121	0.488	8	119.7998	0.449	25	119.8718	0.505	27	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6]-3:C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[5,6a]H)(H)	N[6](C[6]C[5,6]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,1|H<1>,1|O<2>,2|C<4>,2|O<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[5,6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	N[6](C[6]C[5,6]O)2(C[6a]C[6a]2){1|C<4>,4|C<3>,4|H<1>}	119.8180	0.000	1	119.5245	0.172	2	119.5658	0.947	106	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6]-3:C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[5,6a]H)(H)	N[6](C[6]C[5,6]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,1|H<1>,1|O<2>,2|C<4>,2|O<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[5,6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	N[6](C[6]C[5,6]O)2(C[6a]C[6a]2){2|C<3>,3|C<4>,4|H<1>}	119.2310	0.000	1	119.5245	0.172	2	119.5658	0.947	106	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6]-3:C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[5,6a]H)(H)	N[6](C[6]C[6,6]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,1|H<1>,1|O<2>,2|C<4>,2|O<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[5,6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	N[6](C[6]C[6,6]O)2(C[6a]C[6a]2){2|C<3>,3|C<4>,4|H<1>}	119.5700	0.000	1	119.5700	0.000	1	119.5658	0.947	106	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]C)(H)	N[6](C[6]C[6,6a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2){1|H<1>,2|O<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]C)(H){1|H<1>,4|C<3>}	N[6](C[6]C[6,6a]O)2(C[6a]C[6a]2){1|H<1>,6|C<3>}	117.2490	0.000	1	117.2490	0.000	1	119.5658	0.947	106	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6,6a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2){2|H<1>,2|O<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[6](C[6]C[6,6a]O)2(C[6a]C[6a]2){1|H<1>,6|C<3>}	118.1298	0.675	6	118.1298	0.456	6	119.5658	0.947	106	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])2(H)	N[6](C[6]C[6,6]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,1|H<1>,1|N<3>,2|C<4>,2|O<1>}	C[6a](C[6a]C[6a]N[6])2(H){2|C<4>,5|C<3>}	N[6](C[6]C[6,6]O)2(C[6a]C[6a]2){1|H<1>,2|C<3>,6|C<4>}	119.6399	0.685	7	119.6399	0.469	7	119.5658	0.947	106	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]C)(H)	N[6](C[6]C[6,6a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2){1|H<1>,2|O<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]C)(H){1|H<1>,1|O<2>,3|C<3>}	N[6](C[6]C[6,6a]O)2(C[6a]C[6a]2){1|H<1>,1|O<2>,5|C<3>}	120.9220	0.000	1	120.9220	0.000	1	119.5658	0.947	106	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6,6a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2){2|H<1>,2|O<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	N[6](C[6]C[6,6a]O)2(C[6a]C[6a]2){1|H<1>,1|O<2>,5|C<3>}	121.3150	0.000	1	120.3220	1.972	2	119.5658	0.947	106	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6,6a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2){2|H<1>,2|O<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|O<2>,4|C<3>}	N[6](C[6]C[6,6a]O)2(C[6a]C[6a]2){1|H<1>,1|O<2>,5|C<3>}	119.3290	0.000	1	120.3220	1.972	2	119.5658	0.947	106	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]O)(H)	N[6](C[6]C[6a]N[6])(C[6]C[6,6a]N)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2){1|H<1>,1|N<2>,1|N<3>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,3|C<3>}	N[6](C[6]C[6a]N[6])(C[6]C[6,6a]N)(C[6a]C[6a]2){1|H<1>,1|O<2>,6|C<3>}	119.9310	0.000	1	119.9310	0.000	1	119.5658	0.947	106	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]C)(H)	N[6](C[6]C[6,6a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<2>,1|H<1>,2|O<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]C)(H){2|H<1>,3|C<3>}	N[6](C[6]C[6,6a]O)2(C[6a]C[6a]2){2|H<1>,5|C<3>}	120.3780	0.000	1	120.3780	0.000	1	119.5658	0.947	106	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[5,6]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[6](C[6]C[5,6]O)2(C[6a]C[6a]2){1|Si<4>,2|C<3>,3|C<4>,3|H<1>}	119.5348	1.116	8	119.5348	1.246	8	119.5658	0.947	106	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6,6]O)(C[6]C[6,6]S)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,1|O<1>,1|S<1>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[6](C[6]C[6,6]O)(C[6]C[6,6]S)(C[6a]C[6a]2){1|Si<4>,2|C<3>,3|C<4>,3|H<1>}	118.8545	1.047	2	118.8545	1.097	2	119.5658	0.947	106	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6,6]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6]C[6,6]O)2(C[6a]C[6a]2){2|C<3>,2|H<1>,5|C<4>}	119.7665	0.784	4	119.6836	1.065	10	119.5658	0.947	106	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6,6]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[6](C[6]C[6,6]O)2(C[6a]C[6a]2){1|Si<4>,2|C<3>,3|C<4>,3|H<1>}	119.5500	0.731	4	119.6836	1.065	10	119.5658	0.947	106	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6,6]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){2|H<1>,2|O<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6]C[6,6]O)2(C[6a]C[6a]2){1|N<3>,2|H<1>,4|C<3>}	119.7850	2.454	2	119.6836	1.065	10	119.5658	0.947	106	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6,6a]N)(C[6]C[3,6]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[6](C[6]C[6,6a]N)(C[6]C[3,6]O)(C[6a]C[6a]2){1|O<2>,2|H<1>,5|C<3>}	119.5710	0.802	2	119.5710	0.643	2	119.5658	0.947	106	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6,6a]N)(C[6]N[5]N[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|N<3>,2|C<3>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[6](C[6]C[6,6a]N)(C[6]N[5]N[6])(C[6a]C[6a]2){2|C<4>,2|H<1>,4|C<3>}	120.8455	0.754	2	120.8455	0.569	2	119.5658	0.947	106	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6,6a]O)(C[6]C[6,6]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	N[6](C[6]C[6,6a]O)(C[6]C[6,6]O)(C[6a]C[6a]2){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	119.7230	0.704	2	119.6015	1.232	4	119.5658	0.947	106	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6,6a]O)(C[6]C[6,6]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[6](C[6]C[6,6a]O)(C[6]C[6,6]O)(C[6a]C[6a]2){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	119.4800	1.772	2	119.6015	1.232	4	119.5658	0.947	106	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6,6a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<2>,1|H<1>,2|O<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[6](C[6]C[6,6a]O)2(C[6a]C[6a]2){2|H<1>,5|C<3>}	119.0970	0.000	1	119.7955	0.861	28	119.5658	0.947	106	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6,6a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|H<1>,1|O<2>,2|O<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	N[6](C[6]C[6,6a]O)2(C[6a]C[6a]2){2|H<1>,5|C<3>}	120.2230	0.000	1	119.7955	0.861	28	119.5658	0.947	106	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6,6a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|H<1>,1|O<2>,2|O<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[6](C[6]C[6,6a]O)2(C[6a]C[6a]2){2|H<1>,5|C<3>}	120.0560	0.000	1	119.7955	0.861	28	119.5658	0.947	106	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6,6a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){2|H<1>,2|O<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,3|C<3>}	N[6](C[6]C[6,6a]O)2(C[6a]C[6a]2){2|H<1>,5|C<3>}	119.9700	0.008	2	119.7955	0.861	28	119.5658	0.947	106	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6,6a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){2|H<1>,2|O<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6]C[6,6a]O)2(C[6a]C[6a]2){2|H<1>,5|C<3>}	119.7832	1.668	4	119.7955	0.861	28	119.5658	0.947	106	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6,6a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){2|H<1>,2|O<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,3|C<3>}	N[6](C[6]C[6,6a]O)2(C[6a]C[6a]2){2|H<1>,5|C<3>}	119.6505	1.430	2	119.7955	0.861	28	119.5658	0.947	106	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6,6a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){2|H<1>,2|O<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	N[6](C[6]C[6,6a]O)2(C[6a]C[6a]2){2|H<1>,5|C<3>}	119.9949	0.867	9	119.7955	0.861	28	119.5658	0.947	106	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6,6a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){2|H<1>,2|O<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[6](C[6]C[6,6a]O)2(C[6a]C[6a]2){2|H<1>,5|C<3>}	119.5711	0.865	8	119.7955	0.861	28	119.5658	0.947	106	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6,6a]S)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){2|H<1>,2|S<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	N[6](C[6]C[6,6a]S)2(C[6a]C[6a]2){2|H<1>,5|C<3>}	119.0975	0.513	4	119.0975	0.263	4	119.5658	0.947	106	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[6](C[6]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]2){1|Fe<10>,2|H<1>,3|C<4>,4|C<3>}	119.9080	0.748	4	119.9080	0.560	4	119.5658	0.947	106	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6a]C[6])(C[6]C[5a,6]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[6](C[6]C[6a]C[6])(C[6]C[5a,6]H)(C[6a]C[6a]2){1|N<3>,2|H<1>,6|C<3>}	118.7725	0.596	2	118.7725	0.355	2	119.5658	0.947	106	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6a]C[6])(C[6]C[6,6a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6]C[6a]C[6])(C[6]C[6,6a]H)(C[6a]C[6a]2){3|H<1>,6|C<3>}	119.1935	0.883	2	119.2338	0.308	4	119.5658	0.947	106	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6a]C[6])(C[6]C[6,6a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	N[6](C[6]C[6a]C[6])(C[6]C[6,6a]H)(C[6a]C[6a]2){3|H<1>,6|C<3>}	119.2740	0.369	2	119.2338	0.308	4	119.5658	0.947	106	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6a]C[6])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6]C[6a]C[6])2(C[6a]C[6a]2){4|H<1>,7|C<3>}	120.5570	1.905	2	120.5570	3.629	2	119.5658	0.947	106	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6a]N[6])(C[6]C[6,6a]N)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[6](C[6]C[6a]N[6])(C[6]C[6,6a]N)(C[6a]C[6a]2){2|H<1>,6|C<3>}	118.9330	1.243	2	119.7014	0.482	8	119.5658	0.947	106	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6a]N[6])(C[6]C[6,6a]N)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){2|H<1>,2|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	N[6](C[6]C[6a]N[6])(C[6]C[6,6a]N)(C[6a]C[6a]2){2|H<1>,6|C<3>}	119.9575	0.225	6	119.7014	0.482	8	119.5658	0.947	106	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]O)(H)	N[6](C[6]C[6,6a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|H<1>,1|O<2>,2|O<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,3|C<3>}	N[6](C[6]C[6,6a]O)2(C[6a]C[6a]2){2|H<1>,5|C<3>}	118.6530	0.000	1	119.0600	0.331	2	119.5658	0.947	106	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]O)(H)	N[6](C[6]C[6,6a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|H<1>,1|O<2>,2|O<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	N[6](C[6]C[6,6a]O)2(C[6a]C[6a]2){2|H<1>,5|C<3>}	119.4670	0.000	1	119.0600	0.331	2	119.5658	0.947	106	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N[6])(H)	N[6](C[6]C[6a]C[6])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|N<2>,6|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N[6])(H){1|H<1>,1|N<2>,4|C<3>}	N[6](C[6]C[6a]C[6])2(C[6a]C[6a]2){4|H<1>,7|C<3>}	119.1450	0.243	2	119.1450	0.059	2	119.5658	0.947	106	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(N[6]C[6]2){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,3|C<3>}	N[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]O){1|Br<1>,3|H<1>,4|C<3>}	120.8460	0.000	1	120.8460	0.000	1	119.4415	1.129	76	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6,6]O)(C[6a]C[6a]2)(C[6]C[6]O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[6](C[6]C[6,6]O)(C[6a]C[6a]2)(C[6]C[6]O){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	118.8410	0.000	1	118.8410	0.000	1	119.4415	1.129	76	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(N[6]C[6]2){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>,2|O<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,3|C<3>}	N[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]O){1|Cl<1>,3|H<1>,4|C<3>}	120.0210	0.000	1	120.0210	0.000	1	119.4415	1.129	76	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	N[6](C[6]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]N){1|H<1>,1|O<2>,6|C<3>}	121.1930	0.000	1	121.1930	0.000	1	119.4415	1.129	76	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]Se)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2){1|Se<1>,1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	N[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]Se){1|O<2>,2|H<1>,5|C<3>}	120.2770	0.059	2	120.2770	0.004	2	119.4415	1.129	76	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]C)(H)	N[6](C[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|H<1>,3|C<3>,3|C<4>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]C)(H){2|H<1>,3|C<3>}	N[6](C[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,2|H<1>,4|C<3>}	118.4345	0.556	2	118.4345	0.310	2	119.4415	1.129	76	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[5,6]C[6a])(C[6a]C[6a]2)(C[6]N[6]O)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6]C[5,6]C[6a])(C[6a]C[6a]2)(C[6]N[6]O){1|C<4>,2|H<1>,6|C<3>}	119.9010	3.038	2	119.6608	7.479	4	119.4415	1.129	76	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[5,6]C[6a])(C[6a]C[6a]2)(C[6]N[6]O)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[6](C[6]C[5,6]C[6a])(C[6a]C[6a]2)(C[6]N[6]O){1|C<4>,2|H<1>,6|C<3>}	119.4205	3.603	2	119.6608	7.479	4	119.4415	1.129	76	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[5,6]O)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	N[6](C[6]C[5,6]O)(C[6a]C[6a]2)(C[6]C[6]H){2|C<4>,3|C<3>,3|H<1>}	120.1532	1.012	4	120.1532	1.024	4	119.4415	1.129	76	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[5,6]O)(C[6a]C[6a]2)(C[6]C[6]N)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	N[6](C[6]C[5,6]O)(C[6a]C[6a]2)(C[6]C[6]N){1|C<2>,2|C<4>,2|H<1>,3|C<3>}	119.8280	0.641	2	119.8280	0.410	2	119.4415	1.129	76	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[5a,6]N)(C[6a]C[6a]2)(C[6]N[6]O)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|O<2>,2|C<3>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,3|C<3>}	N[6](C[6]C[5a,6]N)(C[6a]C[6a]2)(C[6]N[6]O){2|H<1>,4|C<3>}	119.6315	0.631	4	119.6315	0.398	4	119.4415	1.129	76	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6,6]O)(C[6a]C[6a]2)(C[6]C[6]O)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	N[6](C[6]C[6,6]O)(C[6a]C[6a]2)(C[6]C[6]O){2|C<3>,2|C<4>,5|H<1>}	119.4675	0.596	2	119.6778	0.198	4	119.4415	1.129	76	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6,6]O)(C[6a]C[6a]2)(C[6]C[6]O)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){2|H<1>,2|O<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6]C[6,6]O)(C[6a]C[6a]2)(C[6]C[6]O){2|H<1>,5|C<3>}	119.8880	0.246	2	119.6778	0.198	4	119.4415	1.129	76	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6,6]S)(C[6a]C[6a]2)(C[6]C[6]O)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,1|O<1>,1|S<1>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[6](C[6]C[6,6]S)(C[6a]C[6a]2)(C[6]C[6]O){2|C<4>,3|C<3>,4|H<1>}	119.0845	0.449	2	119.0845	0.202	2	119.4415	1.129	76	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]N[6]C)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	N[6](C[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]N[6]C){2|H<1>,4|C<3>}	120.2160	1.704	2	120.2160	2.904	2	119.4415	1.129	76	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]N[6]O)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[6](C[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]N[6]O){3|H<1>,4|C<3>}	119.6248	1.172	5	119.6248	1.373	5	119.4415	1.129	76	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6,6a]N)(C[6a]C[6a]2)(C[6]N[6]C)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<2>,2|C<3>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[6](C[6]C[6,6a]N)(C[6a]C[6a]2)(C[6]N[6]C){2|H<1>,4|C<3>}	119.1140	0.252	2	119.1140	0.063	2	119.4415	1.129	76	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6,6a]N)(C[6a]C[6a]2)(C[6]N[6]Cl)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|Cl<1>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	N[6](C[6]C[6,6a]N)(C[6a]C[6a]2)(C[6]N[6]Cl){2|H<1>,4|C<3>}	119.2115	0.472	2	119.2115	0.222	2	119.4415	1.129	76	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]O)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,3|C<3>}	N[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]O){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	119.3543	0.417	4	119.4200	0.193	8	119.4415	1.129	76	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]O)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	N[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]O){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	119.7020	0.597	2	119.4200	0.193	8	119.4415	1.129	76	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]O)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]O){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	119.2695	0.501	2	119.4200	0.193	8	119.4415	1.129	76	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]N[6]S)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|N<3>,1|O<1>,1|S<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	N[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]N[6]S){3|H<1>,4|C<3>}	119.5565	1.100	2	119.2657	1.774	4	119.4415	1.129	76	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]N[6]S)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|N<3>,1|O<1>,1|S<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]N[6]S){3|H<1>,4|C<3>}	118.9750	1.943	2	119.2657	1.774	4	119.4415	1.129	76	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]Se[6]O)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|Se<2>,2|C<3>,2|H<1>,2|O<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]Se[6]O){2|H<1>,4|C<3>}	119.4220	1.195	2	119.4220	1.428	2	119.4415	1.129	76	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6,6a]S)(C[6a]C[6a]2)(C[6]N[6]S)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|H<1>,2|C<3>,2|N<3>,2|S<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[6](C[6]C[6,6a]S)(C[6a]C[6a]2)(C[6]N[6]S){3|H<1>,4|C<3>}	120.0240	0.000	1	120.0240	0.000	1	119.4415	1.129	76	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,3|C<3>}	N[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]C){1|N<3>,4|H<1>,5|C<3>}	119.9620	0.027	2	119.9620	0.001	2	119.4415	1.129	76	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	N[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H){2|C<4>,2|H<1>,5|C<3>}	118.5973	0.470	4	118.5973	0.221	4	119.4415	1.129	76	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]O)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]O){1|C<4>,4|H<1>,5|C<3>}	119.8420	0.000	1	119.8420	0.000	1	119.4415	1.129	76	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]Se)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|Se<1>,1|H<1>,1|N<2>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]Se){3|H<1>,5|C<3>}	118.0520	0.000	1	118.0520	0.000	1	119.4415	1.129	76	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6a]O[6])(C[6a]C[6a]2)(C[6]N[6]O)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[6](C[6]C[6a]O[6])(C[6a]C[6a]2)(C[6]N[6]O){1|B<4>,1|C<4>,2|H<1>,4|C<3>}	118.8130	2.688	2	118.8312	3.452	4	119.4415	1.129	76	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6a]O[6])(C[6a]C[6a]2)(C[6]N[6]O)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[6](C[6]C[6a]O[6])(C[6a]C[6a]2)(C[6]N[6]O){1|B<4>,2|H<1>,5|C<3>}	118.8495	1.768	2	118.8312	3.452	4	119.4415	1.129	76	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]N[5,6]O)(C[6a]C[6a]2)(C[6]N[6]O)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,2|H<1>,2|N<3>,2|O<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[6](C[6]N[5,6]O)(C[6a]C[6a]2)(C[6]N[6]O){2|C<4>,2|H<1>,3|C<3>}	119.5315	1.298	2	119.5315	1.684	2	119.4415	1.129	76	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]N[5,6]S)(C[6a]C[6a]2)(C[6]N[6]N)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,1|N<3>,1|S<1>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[6](C[6]N[5,6]S)(C[6a]C[6a]2)(C[6]N[6]N){1|C<4>,2|H<1>,3|C<3>}	119.2505	0.144	4	119.2505	0.021	4	119.4415	1.129	76	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]N[5a,6]N)(C[6a]C[6a]2)(C[6]N[6]N)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,2|H<1>,2|N<2>,2|N<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6]N[5a,6]N)(C[6a]C[6a]2)(C[6]N[6]N){2|H<1>,4|C<3>}	119.4795	0.579	2	119.4795	0.335	2	119.4415	1.129	76	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]N)(H)	N[6](C[6]C[6,6a]S)(C[6a]C[6a]2)(C[6]N[6]S)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|H<1>,2|C<3>,2|N<3>,2|S<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]N)(H){2|H<1>,3|C<3>}	N[6](C[6]C[6,6a]S)(C[6a]C[6a]2)(C[6]N[6]S){3|H<1>,4|C<3>}	117.4740	0.000	1	117.4740	0.000	1	119.4415	1.129	76	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]O)(H)	N[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]Se)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|Se<1>,1|H<1>,1|N<2>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	N[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]Se){3|H<1>,5|C<3>}	118.3860	0.000	1	118.3860	0.000	1	119.4415	1.129	76	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:B[6]-3:B[6]-3:	C[6a](C[6a]C[6a]H)2(N[6]B[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(B[6]B[6]N)2	C[6a](C[6a]C[6a]H)2(N[6]B[6]2){1|C<3>,2|B<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,2|B<3>,2|H<1>}	N[6](C[6a]C[6a]2)(B[6]B[6]N)2{2|C<3>,2|H<1>,3|N<3>}	120.8395	0.610	2	120.8395	0.372	2	120.8395	0.372	2	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[5,6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]O)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,1|H<1>,1|O<2>,2|C<4>,2|O<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[5,6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]O)2{1|C<4>,2|C<3>,6|H<1>}	120.8650	0.000	1	119.8330	2.130	2	119.3730	1.145	228	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[5,6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]O)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,1|H<1>,1|O<2>,2|C<4>,2|O<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[5,6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]O)2{2|C<3>,3|C<4>,4|H<1>}	118.8010	0.000	1	119.8330	2.130	2	119.3730	1.145	228	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]N[6]S)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(N[6]C[6]2){1|C<4>,1|N<3>,1|S<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]N[6]S){1|Br<1>,1|C<4>,2|C<3>,3|H<1>}	118.4500	0.000	1	118.4500	0.000	1	119.3730	1.145	228	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]N[6]S)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2){1|C<4>,1|N<3>,1|S<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){2|C<4>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]N[6]S){2|C<3>,2|C<4>,3|H<1>}	119.1240	0.000	1	119.1240	0.000	1	119.3730	1.145	228	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]N[6]S)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(N[6]C[6]2){1|C<4>,1|N<3>,1|S<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]N[6]S){1|Cl<1>,1|C<4>,2|C<3>,3|H<1>}	120.0160	0.239	2	119.9530	0.056	4	119.3730	1.145	228	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]N[6]S)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(N[6]C[6]2){1|C<4>,1|N<3>,1|S<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]N[6]S){1|Cl<1>,1|C<4>,2|H<1>,3|C<3>}	119.6720	0.000	1	119.9530	0.056	4	119.3730	1.145	228	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]N[6]S)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(N[6]C[6]2){1|Cl<1>,1|C<4>,1|H<1>,1|N<3>,1|S<1>,2|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]N[6]S){1|Cl<1>,1|C<4>,2|C<3>,3|H<1>}	120.1080	0.000	1	119.9530	0.056	4	119.3730	1.145	228	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]N)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]N[6]S)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(N[6]C[6]2){1|C<4>,1|H<1>,1|S<1>,2|C<3>,2|N<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]N)(H){1|Cl<1>,1|H<1>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]N[6]S){1|Cl<1>,1|C<4>,2|C<3>,3|H<1>}	119.7860	0.000	1	119.7860	0.000	1	119.3730	1.145	228	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]N[6]S)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(N[6]C[6]2){1|C<4>,1|N<3>,1|S<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]N[6]S){1|C<4>,1|F<1>,2|C<3>,3|H<1>}	120.8830	0.000	1	120.8830	0.000	1	119.3730	1.145	228	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]N[6]S)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[6]C[6]2){1|C<4>,1|N<3>,1|S<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]N[6]S){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	119.8670	0.000	1	119.8670	0.000	1	119.3730	1.145	228	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[6]C[6]2){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|N<3>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,3|C<3>,3|H<1>}	114.6090	0.000	1	115.6445	2.145	2	119.3730	1.145	228	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[6]C[6]2){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){2|N<3>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,3|C<3>,3|H<1>}	116.6800	0.000	1	115.6445	2.145	2	119.3730	1.145	228	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){2|O<2>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]N){1|C<2>,1|C<4>,1|H<1>,1|O<2>,3|C<3>}	120.7110	0.000	1	120.7110	0.000	1	119.3730	1.145	228	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]O)2{2|C<3>,2|O<2>,5|H<1>}	119.0550	0.000	1	119.0550	0.000	1	119.3730	1.145	228	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]O)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(N[6]C[6]2){1|C<3>,1|H<1>,2|C<4>,2|O<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]O)2{1|C<3>,1|N<2>,1|N<3>,6|H<1>}	121.6910	0.000	1	121.6910	0.000	1	119.3730	1.145	228	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]2)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]2)(H){2|H<1>,5|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]H)2{3|C<3>,4|H<1>}	118.0100	0.359	2	118.0100	0.129	2	119.3730	1.145	228	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]C)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]N)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]C)(H){2|H<1>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]N){1|C<4>,2|H<1>,4|C<3>}	119.0230	0.000	1	119.0230	0.000	1	119.3730	1.145	228	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]C)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]N[6]S)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|H<1>,1|N<3>,1|S<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]C)(H){2|H<1>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]N[6]S){1|C<4>,2|C<3>,4|H<1>}	119.6055	0.308	2	119.6055	0.095	2	119.3730	1.145	228	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]C)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]C)(H){2|H<1>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]H)2{3|C<3>,4|H<1>}	119.3655	0.548	2	119.2965	0.106	6	119.3730	1.145	228	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]C)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]C)(H){1|H<1>,4|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]H)2{3|C<3>,4|H<1>}	119.5430	0.000	1	119.2965	0.106	6	119.3730	1.145	228	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]C)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]C)(H){2|H<1>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]H)2{3|C<3>,4|H<1>}	119.1683	0.237	3	119.2965	0.106	6	119.3730	1.145	228	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]C)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]O)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,1|H<1>,2|O<1>,3|C<4>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]C)(H){2|H<1>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]O)2{1|C<4>,3|C<3>,5|H<1>}	120.0850	0.550	2	120.0850	0.303	2	119.3730	1.145	228	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]Cl)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]N[6]S)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|Cl<1>,1|C<4>,1|H<1>,1|N<3>,1|S<1>,2|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]Cl)(H){2|H<1>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]N[6]S){1|C<4>,2|C<3>,4|H<1>}	119.9630	0.424	2	119.9630	0.180	2	119.3730	1.145	228	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]Cl)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]N)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|Cl<1>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]Cl)(H){2|H<1>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]N)2{1|C<2>,2|H<1>,4|C<3>}	119.7050	0.000	1	119.7050	0.000	1	119.3730	1.145	228	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]Cl)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]S)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|S<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]Cl)(H){1|C<2>,1|H<1>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]S){2|C<3>,2|C<4>,4|H<1>}	117.8700	0.035	2	117.9793	0.019	4	119.3730	1.145	228	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]Cl)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]S)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|S<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]Cl)(H){1|C<2>,1|H<1>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]S){2|C<3>,3|C<4>,3|H<1>}	118.0885	0.086	2	117.9793	0.019	4	119.3730	1.145	228	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]F)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]N[6]S)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<4>,1|F<1>,1|H<1>,1|N<3>,1|S<1>,2|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]F)(H){2|H<1>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]N[6]S){1|C<4>,2|C<3>,4|H<1>}	119.6750	0.000	1	119.6750	0.000	1	119.3730	1.145	228	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H){1|C<4>,3|C<3>,3|H<1>}	119.8505	0.240	2	119.8505	0.057	2	119.3730	1.145	228	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]N)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]N){1|C<4>,2|H<1>,4|C<3>}	119.9450	0.000	1	119.6398	1.005	11	119.3730	1.145	228	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]N)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]N){1|C<4>,3|H<1>,4|C<3>}	119.5110	1.590	2	119.6398	1.005	11	119.3730	1.145	228	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]N)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]N){1|C<2>,1|C<4>,2|H<1>,3|C<3>}	120.0427	0.767	4	119.6398	1.005	11	119.3730	1.145	228	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]N)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]N){1|C<4>,2|H<1>,4|C<3>}	119.2250	1.196	4	119.6398	1.005	11	119.3730	1.145	228	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]O)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<2>,1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]O){1|C<4>,2|C<3>,5|H<1>}	119.8885	1.258	2	119.6447	0.854	10	119.3730	1.145	228	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]O)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]O){2|C<4>,2|H<1>,4|C<3>}	119.6805	1.364	4	119.6447	0.854	10	119.3730	1.145	228	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]O)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]O){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	119.4025	0.214	2	119.6447	0.854	10	119.3730	1.145	228	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]O)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]O){1|C<2>,1|C<4>,2|C<3>,5|H<1>}	119.5715	0.474	2	119.6447	0.854	10	119.3730	1.145	228	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]N[6]O)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]N[6]O){3|C<3>,4|H<1>}	119.3150	0.000	1	119.1360	0.515	4	119.3730	1.145	228	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]N[6]O)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]N[6]O){3|C<3>,4|H<1>}	120.0660	0.000	1	119.1360	0.515	4	119.3730	1.145	228	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]N[6]O)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]N[6]O){3|C<3>,4|H<1>}	118.7110	0.000	1	119.1360	0.515	4	119.3730	1.145	228	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]N[6]O)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|H<1>,1|I<1>,1|N<2>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]N[6]O){3|C<3>,3|H<1>}	118.4520	0.000	1	119.1360	0.515	4	119.3730	1.145	228	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]N[6]S)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<4>,1|F<1>,1|H<1>,1|N<3>,1|S<1>,2|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]N[6]S){1|C<4>,2|C<3>,4|H<1>}	119.8490	0.000	1	119.5673	0.483	13	119.3730	1.145	228	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]N[6]S)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<4>,1|N<3>,1|S<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]N[6]S){1|C<4>,2|C<3>,4|H<1>}	119.5975	1.133	2	119.5673	0.483	13	119.3730	1.145	228	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]N[6]S)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<4>,1|N<3>,1|S<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]N[6]S){1|C<4>,2|C<3>,4|H<1>}	119.6515	1.141	2	119.5673	0.483	13	119.3730	1.145	228	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]N[6]S)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<4>,1|N<3>,1|S<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]N[6]S){1|C<4>,2|C<3>,4|H<1>}	120.0535	0.267	2	119.5673	0.483	13	119.3730	1.145	228	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]N[6]S)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<4>,1|N<3>,1|S<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]N[6]S){1|C<4>,2|C<3>,4|H<1>}	119.7715	1.187	2	119.5673	0.483	13	119.3730	1.145	228	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]N[6]S)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|Cl<1>,1|C<4>,1|H<1>,1|N<3>,1|S<1>,2|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]N[6]S){1|C<4>,2|C<3>,4|H<1>}	119.0315	0.416	2	119.5673	0.483	13	119.3730	1.145	228	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]N[6]S)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|H<1>,1|N<3>,1|S<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]N[6]S){1|C<4>,2|C<3>,4|H<1>}	119.1575	0.012	2	119.5673	0.483	13	119.3730	1.145	228	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]C)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]C)2{1|C<4>,2|H<1>,4|C<3>}	120.5075	2.471	2	120.0505	2.319	4	119.3730	1.145	228	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]C)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]C)2{1|C<4>,2|H<1>,4|C<3>}	119.5935	0.120	2	120.0505	2.319	4	119.3730	1.145	228	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]N)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]N){3|C<3>,4|H<1>}	118.8550	0.307	2	118.8550	0.094	2	119.3730	1.145	228	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O){3|H<1>,4|C<3>}	120.0190	0.334	2	120.0190	0.111	2	119.3730	1.145	228	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]O)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]O){1|C<4>,3|C<3>,3|H<1>}	119.8100	1.516	2	119.8100	2.298	2	119.3730	1.145	228	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]H)2{3|C<3>,4|H<1>}	119.7095	1.466	2	119.1732	0.973	85	119.3730	1.145	228	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]H)2{3|C<3>,4|H<1>}	118.9848	0.771	4	119.1732	0.973	85	119.3730	1.145	228	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]H)2{3|C<3>,4|H<1>}	119.2575	0.801	4	119.1732	0.973	85	119.3730	1.145	228	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|C<4>,3|C<3>,3|H<1>}	120.3705	0.500	2	119.1732	0.973	85	119.3730	1.145	228	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|C<4>,2|H<1>,4|C<3>}	120.2450	0.880	2	119.1732	0.973	85	119.3730	1.145	228	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]H)2{3|C<3>,4|H<1>}	119.4890	0.574	4	119.1732	0.973	85	119.3730	1.145	228	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]H)2{3|C<3>,4|H<1>}	118.9514	1.191	30	119.1732	0.973	85	119.3730	1.145	228	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|C<4>,2|C<2>,2|C<3>,2|H<1>}	119.9330	0.731	2	119.1732	0.973	85	119.3730	1.145	228	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|C<4>,2|H<1>,4|C<3>}	120.0728	0.864	5	119.1732	0.973	85	119.3730	1.145	228	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]H)2{3|C<3>,4|H<1>}	118.9805	0.774	24	119.1732	0.973	85	119.3730	1.145	228	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]H)2{3|C<3>,4|H<1>}	119.3640	0.000	1	119.1732	0.973	85	119.3730	1.145	228	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]H)2{3|C<3>,4|H<1>}	118.8950	0.517	5	119.1732	0.973	85	119.3730	1.145	228	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]N)(C[6]C[6]S)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<4>,1|N<3>,1|S<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]N)(C[6]C[6]S){1|C<4>,3|H<1>,4|C<3>}	119.0900	0.824	2	119.0900	0.680	2	119.3730	1.145	228	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]N)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|Cl<1>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]N)2{1|C<2>,2|H<1>,4|C<3>}	117.2960	0.000	1	117.2960	0.000	1	119.3730	1.145	228	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]O)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,1|C<4>,1|N<3>,2|H<1>,2|O<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]O){2|C<4>,3|C<3>,3|H<1>}	119.8980	0.938	4	119.4198	0.977	10	119.3730	1.145	228	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]O)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,1|C<4>,1|N<3>,2|H<1>,2|O<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]O){1|Cl<1>,1|C<4>,2|H<1>,4|C<3>}	118.9760	1.213	4	119.4198	0.977	10	119.3730	1.145	228	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]O)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,1|C<4>,1|N<3>,2|H<1>,2|O<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]O){2|C<4>,3|C<3>,3|H<1>}	119.3510	0.147	2	119.4198	0.977	10	119.3730	1.145	228	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]S)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|S<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]S){2|C<3>,2|C<4>,4|H<1>}	120.8050	0.027	2	120.5000	0.125	4	119.3730	1.145	228	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]S)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|S<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]S){2|C<3>,3|C<4>,3|H<1>}	120.1950	0.041	2	120.5000	0.125	4	119.3730	1.145	228	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]O[6]O)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,1|C<4>,1|O<2>,2|H<1>,2|O<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]O[6]O){1|C<4>,2|C<3>,4|H<1>}	119.4690	2.563	2	119.4690	6.567	2	119.3730	1.145	228	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]S[6]N)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|S<2>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]S[6]N){1|C<4>,2|C<3>,4|H<1>}	119.2327	0.152	6	119.2327	0.023	6	119.3730	1.145	228	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]O)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,1|H<1>,2|O<1>,3|C<4>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]O)2{1|C<4>,3|C<3>,5|H<1>}	117.7410	0.957	2	118.6963	1.604	4	119.3730	1.145	228	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]O)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]O)2{3|C<3>,5|H<1>}	119.6515	0.494	2	118.6963	1.604	4	119.3730	1.145	228	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]N[6]N)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,1|N<3>,2|H<1>,3|N<2>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]N[6]N)2{2|H<1>,3|C<3>}	119.8960	1.278	4	119.8960	1.634	4	119.3730	1.145	228	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]N[6]O)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,2|H<1>,2|N<3>,2|O<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]N[6]O)2{1|C<4>,3|C<3>,3|H<1>}	119.2975	1.155	2	119.2975	1.333	2	119.3730	1.145	228	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]I)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]N[6]O)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|H<1>,1|I<1>,1|N<2>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]I)(H){2|H<1>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]N[6]O){3|C<3>,3|H<1>}	120.2970	0.000	1	120.2970	0.000	1	119.3730	1.145	228	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]O)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]H)2{3|C<3>,4|H<1>}	117.3250	1.363	2	117.3250	1.859	2	119.3730	1.145	228	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]N[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|N<2>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]N[6a]H)(H){1|H<1>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]H)2{3|C<3>,4|H<1>}	120.0533	0.925	18	120.0533	0.855	18	119.3730	1.145	228	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:N[6]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](C[6a]C[5,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]N[6])(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]C){1|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]N[6])(H){1|C<4>,1|S<4>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|C<4>,1|S<2>,3|H<1>,6|C<3>}	119.1050	0.117	2	119.1050	0.014	2	120.0323	1.180	18	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:N[6]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](C[6a]C[5,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]N[6])(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]N[6])(H){1|H<1>,1|P<4>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|O<2>,4|H<1>,6|C<3>}	120.0200	0.000	1	118.9313	1.085	4	120.0323	1.180	18	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:N[6]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](C[6a]C[5,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]N[6])(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]N[6])(H){1|H<1>,1|S<4>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|C<4>,1|O<2>,3|H<1>,6|C<3>}	119.5420	0.000	1	118.9313	1.085	4	120.0323	1.180	18	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:N[6]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](C[6a]C[5,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]N[6])(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]N[6])(H){1|H<1>,1|S<4>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|C<4>,4|H<1>,6|C<3>}	118.0815	0.501	2	118.9313	1.085	4	120.0323	1.180	18	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:N[6]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](C[6a]C[5,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]N[6])(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]N[6])(H){1|H<1>,7|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|C<4>,4|H<1>,6|C<3>}	120.9807	0.801	6	120.9807	0.642	6	120.0323	1.180	18	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:N[6]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](C[6a]C[5,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N[6])(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N[6])(H){1|H<1>,2|C<4>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|O<2>,4|H<1>,6|C<3>}	119.1710	0.000	1	120.1272	0.314	6	120.0323	1.180	18	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:N[6]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](C[6a]C[5,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N[6])(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N[6])(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|S<2>,4|H<1>,6|C<3>}	120.3184	0.343	5	120.1272	0.314	6	120.0323	1.180	18	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:N[6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]N[6])(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]N[6])(H){1|H<1>,1|N<3>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|S<2>,4|H<1>,6|C<3>}	122.0820	0.000	1	121.5005	0.676	2	121.5005	0.676	2	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:N[6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]N[6])(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]N[6])(H){1|H<1>,1|S<2>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|C<4>,1|S<2>,3|H<1>,6|C<3>}	120.9190	0.000	1	121.5005	0.676	2	121.5005	0.676	2	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:N[6]-3:C[6a]-3:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](C[6a]C[6,6,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]N[6])(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6,6,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]N[6])(H){1|C<4>,2|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|S<2>,4|H<1>,6|C<3>}	117.4700	0.000	1	117.4700	0.000	1	117.4700	0.000	1	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](C[6a]C[6,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N[6])(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]C){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N[6])(H){1|S<4>,3|C<4>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){2|C<4>,3|H<1>,6|C<3>}	118.0545	0.261	4	118.0545	0.068	4	119.3766	1.132	14	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](C[6a]C[6,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]N[6])(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]N[6])(H){1|H<1>,7|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|C<4>,4|H<1>,6|C<3>}	119.3230	0.000	1	119.3230	0.000	1	119.3766	1.132	14	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](C[6a]C[6,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N[6])(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N[6])(H){1|H<1>,1|S<4>,2|C<4>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|O<2>,4|H<1>,6|C<3>}	119.2430	0.000	1	119.2430	0.000	1	119.3766	1.132	14	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](C[6a]C[6,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N[6])(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<3>,5|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N[6])(H){1|H<1>,1|S<4>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|O<2>,4|H<1>,6|C<3>}	119.4590	0.000	1	119.4590	0.000	1	119.3766	1.132	14	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](C[6a]C[6,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]N[6])(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]H){1|H<1>,1|S<2>,5|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]N[6])(H){1|H<1>,1|N<3>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|O<2>,4|H<1>,6|C<3>}	119.9780	0.697	2	120.1470	0.555	7	119.3766	1.132	14	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](C[6a]C[6,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]N[6])(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]H){1|H<1>,1|S<2>,5|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]N[6])(H){1|H<1>,1|N<3>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|S<2>,4|H<1>,6|C<3>}	120.3110	0.927	4	120.1470	0.555	7	119.3766	1.132	14	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](C[6a]C[6,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]N[6])(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]H){1|H<1>,1|S<4>,5|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]N[6])(H){1|C<4>,1|H<1>,2|O<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|C<4>,4|H<1>,6|C<3>}	119.8290	0.000	1	120.1470	0.555	7	119.3766	1.132	14	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:N[6]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]F)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[6])(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]F){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[6])(H){1|F<1>,1|N<2>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|F<1>,1|O<2>,3|H<1>,6|C<3>}	121.9260	0.000	1	121.9260	0.000	1	119.9416	2.963	7	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:N[6]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]B[6a])(C[6a]C[6a]N[6])(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]H){1|B<3>,1|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]B[6a])(C[6a]C[6a]N[6])(H){1|H<1>,1|N<3>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|O<2>,4|H<1>,6|C<3>}	120.7175	0.091	2	120.7175	0.008	2	119.9416	2.963	7	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:N[6]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6])(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6])(H){2|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|P<4>,4|H<1>,6|C<3>}	118.1480	0.000	1	118.0420	0.022	2	119.9416	2.963	7	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:N[6]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6])(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6])(H){2|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|S<2>,4|H<1>,6|C<3>}	117.9360	0.000	1	118.0420	0.022	2	119.9416	2.963	7	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:N[6]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[6])(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<3>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[6])(H){1|C<4>,1|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|O<2>,4|H<1>,6|C<3>}	118.4370	0.000	1	118.4370	0.000	1	119.9416	2.963	7	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:N[6]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]S[6a])(C[6a]C[6a]N[6])(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]H){1|H<1>,1|S<2>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]S[6a])(C[6a]C[6a]N[6])(H){1|B<3>,1|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|Ge<4>,4|H<1>,6|C<3>}	121.7090	0.000	1	121.7090	0.000	1	119.9416	2.963	7	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:N[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]F)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N[6])(F)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]F){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N[6])(F){1|H<1>,1|N<2>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|F<1>,1|O<2>,3|H<1>,6|C<3>}	119.3230	0.000	1	119.3230	0.000	1	119.3230	0.000	1	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:N[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](C[6a]C[5,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[5,6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[5,6a]H)(H){1|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|C<4>,4|H<1>,6|C<3>}	119.1290	0.873	6	120.0531	1.501	16	119.8991	1.846	37	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:N[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](C[6a]C[5,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[5,6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[5,6a]H)(H){1|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|O<2>,4|H<1>,6|C<3>}	119.8600	0.000	1	120.0531	1.501	16	119.8991	1.846	37	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:N[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](C[6a]C[5,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[5,6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[5,6a]H)(H){1|H<1>,1|P<4>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|O<2>,4|H<1>,6|C<3>}	118.1010	0.000	1	120.0531	1.501	16	119.8991	1.846	37	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:N[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](C[6a]C[5,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[5,6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[5,6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|C<4>,1|O<2>,3|H<1>,6|C<3>}	121.8370	0.000	1	120.0531	1.501	16	119.8991	1.846	37	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:N[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](C[6a]C[5,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[5,6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[5,6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|C<4>,4|H<1>,6|C<3>}	121.1845	0.617	2	120.0531	1.501	16	119.8991	1.846	37	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:N[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](C[6a]C[5,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[5,6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[5,6a]H)(H){1|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|S<2>,4|H<1>,6|C<3>}	120.7818	0.486	5	120.0531	1.501	16	119.8991	1.846	37	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:N[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]N[6])(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]N[6])(H){1|H<1>,1|N<3>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|S<2>,4|H<1>,6|C<3>}	116.7500	0.000	1	118.2335	4.402	2	119.8991	1.846	37	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:N[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]N[6])(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]N[6])(H){1|H<1>,1|S<2>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|C<4>,1|S<2>,3|H<1>,6|C<3>}	119.7170	0.000	1	118.2335	4.402	2	119.8991	1.846	37	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:N[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](C[6a]C[6,6,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]N[6])(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6,6,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]N[6])(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|S<2>,4|H<1>,6|C<3>}	122.0890	0.000	1	122.0890	0.000	1	119.8991	1.846	37	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:N[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](C[6a]C[6,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6,6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|O<2>,4|H<1>,6|C<3>}	119.3720	0.000	1	119.6328	0.592	10	119.8991	1.846	37	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:N[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](C[6a]C[6,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6,6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6,6a]H)(H){1|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|C<4>,4|H<1>,6|C<3>}	119.6660	0.000	1	119.6328	0.592	10	119.8991	1.846	37	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:N[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](C[6a]C[6,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6,6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<3>,5|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|O<2>,4|H<1>,6|C<3>}	118.8410	0.000	1	119.6328	0.592	10	119.8991	1.846	37	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:N[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](C[6a]C[6,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6,6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]H){1|H<1>,1|S<2>,5|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|O<2>,4|H<1>,6|C<3>}	119.0830	0.699	2	119.6328	0.592	10	119.8991	1.846	37	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:N[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](C[6a]C[6,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6,6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]H){1|H<1>,1|S<2>,5|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|S<2>,4|H<1>,6|C<3>}	119.9595	0.903	4	119.6328	0.592	10	119.8991	1.846	37	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:N[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](C[6a]C[6,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6,6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]H){1|H<1>,1|S<4>,5|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6,6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|C<4>,4|H<1>,6|C<3>}	120.4450	0.000	1	119.6328	0.592	10	119.8991	1.846	37	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:N[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N[6])(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]H){1|B<3>,1|H<1>,5|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N[6])(H){1|H<1>,1|N<3>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|O<2>,4|H<1>,6|C<3>}	120.1575	0.562	2	120.5615	0.950	6	119.8991	1.846	37	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:N[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N[6])(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<3>,5|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N[6])(H){1|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|O<2>,4|H<1>,6|C<3>}	119.7800	0.000	1	120.5615	0.950	6	119.8991	1.846	37	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:N[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N[6])(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]H){1|H<1>,1|S<2>,5|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N[6])(H){1|B<3>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|Ge<4>,4|H<1>,6|C<3>}	120.1020	0.000	1	120.5615	0.950	6	119.8991	1.846	37	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:N[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N[6])(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N[6])(H){1|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|P<4>,4|H<1>,6|C<3>}	120.8150	0.000	1	120.5615	0.950	6	119.8991	1.846	37	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:N[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N[6])(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N[6])(H){1|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|S<2>,4|H<1>,6|C<3>}	122.3570	0.000	1	120.5615	0.950	6	119.8991	1.846	37	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:N[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C[6])(N[6]C[6,6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(N[6]C[6,6a]2)(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){3|H<1>,8|C<3>}	116.1400	0.000	1	116.1400	0.000	1	119.8991	1.846	37	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:N[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[6])(N[6]C[6,6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]C)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6])(N[6]C[6,6a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,7|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]C)(H){1|C<4>,1|N<3>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|N<3>,1|S<2>,3|H<1>,6|C<3>}	121.0230	0.000	1	121.0230	0.000	1	119.8991	1.846	37	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:N[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]N[6a]N[6])(C[6a]N[6a]O)(H)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(N[6]C[6]2){1|N<3>,2|C<3>,2|H<1>,2|O<1>}	C[6a](C[6a]N[6a]N[6])(C[6a]N[6a]O)(H){2|H<1>,3|C<3>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6]H)2{3|C<3>,4|H<1>}	122.0550	0.000	1	122.0550	0.000	1	122.0550	0.000	1	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]F)(F)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]F)2{2|F<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]F)(F){1|F<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|C<4>,2|F<1>,2|H<1>,6|C<3>}	121.4021	1.447	18	121.4051	2.035	20	121.4051	2.035	20	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]F)(F)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]F)2{2|F<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]F)(F){2|F<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|C<2>,1|N<3>,3|F<1>,6|C<3>}	121.4315	1.759	2	121.4051	2.035	20	121.4051	2.035	20	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:B[6]-3:C[6]-3:	C[6a](N[6]B[6]C[6])(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]F)(F)	N[6](C[6a]C[6a]2)(B[6]N[6]O)(C[6]C[6]C)	C[6a](N[6]B[6]C[6])(C[6a]C[6a]F)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|F<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]F)(F){1|B<3>,2|C<3>,2|F<1>}	N[6](C[6a]C[6a]2)(B[6]N[6]O)(C[6]C[6]C){1|H<1>,2|F<1>,4|C<3>}	120.9477	1.374	4	120.9477	1.889	4	120.9477	1.889	4	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	B[6]-3:C[6a]-3:C[6]-3:	C[6a](N[6]B[6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](B[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]N[6]S)	C[6a](N[6]B[6]C[6])(C[6a]C[6a]H)2{1|N<3>,1|O<2>,1|S<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|B<3>,1|C<4>,1|H<1>,2|C<3>}	N[6](B[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]N[6]S){3|H<1>,4|C<3>}	119.3688	1.219	4	119.3688	1.487	4	119.3688	1.487	4	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[6,6]-3:C[6a]-3:	C[6a](N[6]C[5,6]C[6,6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]C)(H)	N[6](C[5,6]C[5,6a]C[5,6])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)	C[6a](N[6]C[5,6]C[6,6])(C[6a]C[6a]H)2{1|H<1>,2|C<4>,4|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]C)(H){2|H<1>,3|C<3>}	N[6](C[5,6]C[5,6a]C[5,6])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2){2|C<4>,4|H<1>,6|C<3>}	117.5070	0.000	1	117.5070	0.000	1	119.6084	1.674	14	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[6,6]-3:C[6a]-3:	C[6a](N[6]C[5,6]C[6,6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)	C[6a](N[6]C[5,6]C[6,6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2){1|N<3>,1|O<1>,2|C<4>,4|C<3>,4|H<1>}	119.7945	1.513	2	119.6980	1.584	8	119.6084	1.674	14	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[6,6]-3:C[6a]-3:	C[6a](N[6]C[5,6]C[6,6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)	C[6a](N[6]C[5,6]C[6,6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	N[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2){1|N<3>,1|O<1>,2|C<4>,4|C<3>,4|H<1>}	119.8150	1.717	2	119.6980	1.584	8	119.6084	1.674	14	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[6,6]-3:C[6a]-3:	C[6a](N[6]C[5,6]C[6,6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)	C[6a](N[6]C[5,6]C[6,6])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2){1|O<2>,2|C<4>,4|C<3>,6|H<1>}	119.6720	1.861	2	119.6980	1.584	8	119.6084	1.674	14	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[6,6]-3:C[6a]-3:	C[6a](N[6]C[5,6]C[6,6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)	C[6a](N[6]C[5,6]C[6,6])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2){1|S<4>,3|C<3>,3|C<4>,6|H<1>}	119.5105	1.507	2	119.6980	1.584	8	119.6084	1.674	14	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[6,6]-3:C[6a]-3:	C[6a](N[6]C[5,6]C[6,6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[5,6]C[5,6a]C[5,6])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)	C[6a](N[6]C[5,6]C[6,6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[5,6]C[5,6a]C[5,6])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2){2|C<4>,4|H<1>,6|C<3>}	119.4760	0.939	2	119.8852	1.454	5	119.6084	1.674	14	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[6,6]-3:C[6a]-3:	C[6a](N[6]C[5,6]C[6,6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[5,6]C[5,6a]C[5,6])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)	C[6a](N[6]C[5,6]C[6,6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[6](C[5,6]C[5,6a]C[5,6])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2){2|C<4>,4|H<1>,6|C<3>}	119.6550	1.690	2	119.8852	1.454	5	119.6084	1.674	14	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[6,6]-3:C[6a]-3:	C[6a](N[6]C[5,6]C[6,6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[5,6]C[5,6a]C[5,6])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)	C[6a](N[6]C[5,6]C[6,6])(C[6a]C[6a]H)2{1|H<1>,2|C<4>,4|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[6](C[5,6]C[5,6a]C[5,6])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2){2|C<4>,4|H<1>,6|C<3>}	121.1640	0.000	1	119.8852	1.454	5	119.6084	1.674	14	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[6a]-3:C[6]-3:	C[6a](N[6]C[5,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]N)	C[6a](N[6]C[5,6]C[6])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]N){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	119.9375	0.622	2	119.9375	0.386	2	119.7863	0.180	6	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[6a]-3:C[6]-3:	C[6a](N[6]C[5,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[5,6]C[5,6]Se[5])(C[6a]C[6a]2)(C[6]C[6]S)	C[6a](N[6]C[5,6]C[6])(C[6a]C[6a]H)2{1|Se<2>,1|S<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[6](C[5,6]C[5,6]Se[5])(C[6a]C[6a]2)(C[6]C[6]S){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	120.0125	0.132	2	120.0125	0.017	2	119.7863	0.180	6	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[6a]-3:C[6]-3:	C[6a](N[6]C[5,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[5,6]N[5,6]N[5])(C[6a]C[6a]2)(C[6]C[6]S)	C[6a](N[6]C[5,6]C[6])(C[6a]C[6a]H)2{1|S<1>,2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	N[6](C[5,6]N[5,6]N[5])(C[6a]C[6a]2)(C[6]C[6]S){2|C<4>,2|H<1>,5|C<3>}	119.4090	0.250	2	119.4090	0.063	2	119.7863	0.180	6	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](N[6]C[5a,6]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[5a,6]C[5a,6]N[5a])2(C[6a]C[6a]2)	C[6a](N[6]C[5a,6]2)(C[6a]C[6a]H)(C[6a]C[6a]N){2|H<1>,2|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){2|N<3>,3|C<3>}	N[6](C[5a,6]C[5a,6]N[5a])2(C[6a]C[6a]2){1|H<1>,2|C<3>,2|N<2>,2|N<3>,2|O<2>}	118.8950	0.000	1	118.8950	0.000	1	120.4510	1.335	7	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](N[6]C[5a,6]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[5a,6]C[5a,6]C[5a])2(C[6a]C[6a]2)	C[6a](N[6]C[5a,6]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,3|C<3>}	N[6](C[5a,6]C[5a,6]C[5a])2(C[6a]C[6a]2){3|S<2>,4|C<3>,4|H<1>}	121.0550	0.628	2	120.7425	1.563	4	120.4510	1.335	7	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](N[6]C[5a,6]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[5a,6]C[5a,6]C[5a])2(C[6a]C[6a]2)	C[6a](N[6]C[5a,6]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[5a,6]C[5a,6]C[5a])2(C[6a]C[6a]2){3|S<2>,4|C<3>,4|H<1>}	120.4300	1.976	2	120.7425	1.563	4	120.4510	1.335	7	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](N[6]C[5a,6]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[5a,6]C[5a,6a]C[5a,6])(C[5a,6]C[5a,6]S[5a])(C[6a]C[6a]2)	C[6a](N[6]C[5a,6]2)(C[6a]C[6a]H)2{1|S<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	N[6](C[5a,6]C[5a,6a]C[5a,6])(C[5a,6]C[5a,6]S[5a])(C[6a]C[6a]2){2|H<1>,2|S<2>,6|C<3>}	120.6460	0.694	2	120.6460	0.482	2	120.4510	1.335	7	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[6a]-3:C[6]-3:	C[6a](N[6]C[5a,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]O)	C[6a](N[6]C[5a,6]C[6])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,3|C<3>}	N[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]O){1|N<3>,2|C<4>,2|H<1>,5|C<3>}	119.7550	0.208	2	119.7550	0.043	2	119.7550	0.043	2	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6]-3:C[6a]-3:C[6]-3:	C[6a](N[6]C[6,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6]C[3x6]N[6])(C[6a]C[6a]2)(C[6]C[6]O)	C[6a](N[6]C[6,6]C[6])(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[6](C[6,6]C[3x6]N[6])(C[6a]C[6a]2)(C[6]C[6]O){1|C<2>,2|C<4>,3|H<1>,4|C<3>}	119.5490	0.054	2	119.5490	0.003	2	119.8685	0.521	20	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6]-3:C[6a]-3:C[6]-3:	C[6a](N[6]C[6,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]N)	C[6a](N[6]C[6,6]C[6])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]N){1|C<2>,2|C<4>,3|C<3>,4|H<1>}	119.9237	0.421	6	120.0554	0.538	12	119.8685	0.521	20	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6]-3:C[6a]-3:C[6]-3:	C[6a](N[6]C[6,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]N)	C[6a](N[6]C[6,6]C[6])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,3|C<3>}	N[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]N){1|C<2>,2|C<4>,3|C<3>,4|H<1>}	119.6515	1.183	2	120.0554	0.538	12	119.8685	0.521	20	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6]-3:C[6a]-3:C[6]-3:	C[6a](N[6]C[6,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]N)	C[6a](N[6]C[6,6]C[6])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	N[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]N){1|C<2>,2|C<4>,3|C<3>,4|H<1>}	120.4550	0.925	4	120.0554	0.538	12	119.8685	0.521	20	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6]-3:C[6a]-3:C[6]-3:	C[6a](N[6]C[6,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]O)	C[6a](N[6]C[6,6]C[6])(C[6a]C[6a]H)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]O){2|C<4>,4|C<3>,5|H<1>}	119.5075	0.730	4	119.6010	0.585	6	119.8685	0.521	20	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6]-3:C[6a]-3:C[6]-3:	C[6a](N[6]C[6,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]O)	C[6a](N[6]C[6,6]C[6])(C[6a]C[6a]H)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]O){2|C<4>,4|C<3>,5|H<1>}	119.7880	1.106	2	119.6010	0.585	6	119.8685	0.521	20	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]B)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]B)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|B<3>,1|O<2>,3|H<1>,6|C<3>}	117.3870	0.000	1	117.3870	0.000	1	119.8688	1.182	326	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<4>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|N<3>,1|N<4>,3|H<1>,6|C<3>}	120.3570	0.000	1	120.3570	0.000	1	119.8688	1.182	326	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]N[6])2(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,1|N<3>,5|C<3>}	C[6a](C[6a]C[6a]N[6])2(H){2|O<2>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|O<2>,1|S<2>,3|H<1>,6|C<3>}	117.6960	0.000	1	117.6960	0.000	1	119.8688	1.182	326	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]S){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|C<4>,1|S<4>,3|H<1>,6|C<3>}	119.3734	0.663	5	119.3734	0.440	5	119.8688	1.182	326	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)(C[6a]N[6a]C)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)(C[6a]N[6a]C){1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|N<2>,2|C<4>,3|H<1>,5|C<3>}	120.7450	0.000	1	120.7450	0.000	1	119.8688	1.182	326	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)(C[6a]N[6a]H){1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|C<4>,1|N<2>,4|H<1>,5|C<3>}	122.7220	0.000	1	122.7220	0.000	1	119.8688	1.182	326	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]N[6])(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2{2|N<3>,5|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]N[6])(H){1|C<2>,1|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|O<2>,4|H<1>,6|C<3>}	119.5140	1.073	6	119.5140	1.151	6	119.8688	1.182	326	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]2)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2{1|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]2)(H){2|H<1>,2|N<2>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|C<4>,4|H<1>,6|C<3>}	118.9710	0.000	1	118.9710	0.000	1	119.8688	1.182	326	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]C)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2{1|C<2>,1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]C)(H){1|C<2>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|S<2>,4|H<1>,6|C<3>}	120.4165	0.153	2	120.2800	0.427	5	119.8688	1.182	326	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]C)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2{7|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]C)(H){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|S<2>,4|H<1>,6|C<3>}	121.1800	0.000	1	120.2800	0.427	5	119.8688	1.182	326	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]C)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2{7|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]C)(H){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|S<4>,4|H<1>,6|C<3>}	119.6935	0.387	2	120.2800	0.427	5	119.8688	1.182	326	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2){1|C<4>,4|H<1>,6|C<3>}	119.7758	0.941	4	119.7758	0.885	4	119.8688	1.182	326	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2){1|C<4>,3|H<1>,7|C<3>}	120.9718	0.505	4	120.9718	0.255	4	119.8688	1.182	326	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6,6a]C[6a])(C[6a]C[6a]2)	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6,6a]C[6a])(C[6a]C[6a]2){4|H<1>,7|C<3>}	119.2925	0.619	4	119.2925	0.384	4	119.8688	1.182	326	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2{1|C<2>,1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|S<2>,4|H<1>,6|C<3>}	121.8060	0.089	2	119.8276	1.146	276	119.8688	1.182	326	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2{1|H<1>,1|S<4>,5|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|C<4>,4|H<1>,6|C<3>}	118.2330	0.000	1	119.8276	1.146	276	119.8688	1.182	326	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2{1|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|C<4>,4|H<1>,6|C<3>}	120.3500	0.000	1	119.8276	1.146	276	119.8688	1.182	326	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|O<2>,4|H<1>,6|C<3>}	119.6610	0.728	2	119.8276	1.146	276	119.8688	1.182	326	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|C<4>,4|H<1>,6|C<3>}	119.8192	0.145	4	119.8276	1.146	276	119.8688	1.182	326	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|S<2>,4|H<1>,6|C<3>}	120.4540	2.040	4	119.8276	1.146	276	119.8688	1.182	326	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|N<3>,4|H<1>,6|C<3>}	119.9918	1.089	6	119.8276	1.146	276	119.8688	1.182	326	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|S<2>,4|H<1>,6|C<3>}	120.3655	2.300	2	119.8276	1.146	276	119.8688	1.182	326	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,7|C<3>}	118.6555	0.223	2	119.8276	1.146	276	119.8688	1.182	326	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|N<2>,4|H<1>,6|C<3>}	119.2175	0.590	30	119.8276	1.146	276	119.8688	1.182	326	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|S<3>,4|H<1>,6|C<3>}	119.4410	1.457	4	119.8276	1.146	276	119.8688	1.182	326	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|N<2>,4|H<1>,6|C<3>}	119.6550	1.284	2	119.8276	1.146	276	119.8688	1.182	326	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|S<2>,4|H<1>,6|C<3>}	119.6728	1.945	12	119.8276	1.146	276	119.8688	1.182	326	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|N<2>,4|H<1>,6|C<3>}	119.3100	1.237	2	119.8276	1.146	276	119.8688	1.182	326	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|N<3>,4|H<1>,6|C<3>}	119.4597	0.222	4	119.8276	1.146	276	119.8688	1.182	326	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|S<4>,4|H<1>,6|C<3>}	120.2080	0.096	2	119.8276	1.146	276	119.8688	1.182	326	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,7|C<3>}	119.1200	1.615	2	119.8276	1.146	276	119.8688	1.182	326	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|C<4>,4|H<1>,6|C<3>}	119.8024	1.551	14	119.8276	1.146	276	119.8688	1.182	326	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|S<2>,4|H<1>,6|C<3>}	120.2390	1.491	4	119.8276	1.146	276	119.8688	1.182	326	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){2|C<4>,3|H<1>,6|C<3>}	121.1635	1.876	4	119.8276	1.146	276	119.8688	1.182	326	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|C<4>,4|H<1>,6|C<3>}	119.9666	0.875	40	119.8276	1.146	276	119.8688	1.182	326	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|N<3>,4|H<1>,6|C<3>}	120.2750	0.619	2	119.8276	1.146	276	119.8688	1.182	326	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|O<2>,4|H<1>,6|C<3>}	119.9987	0.857	58	119.8276	1.146	276	119.8688	1.182	326	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|S<2>,4|H<1>,6|C<3>}	120.1863	1.256	16	119.8276	1.146	276	119.8688	1.182	326	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|Se<2>,4|H<1>,6|C<3>}	121.0540	1.437	2	119.8276	1.146	276	119.8688	1.182	326	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|C<4>,4|H<1>,6|C<3>}	119.7662	0.702	16	119.8276	1.146	276	119.8688	1.182	326	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|N<2>,4|H<1>,6|C<3>}	118.8485	0.488	4	119.8276	1.146	276	119.8688	1.182	326	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|N<3>,4|H<1>,6|C<3>}	119.5985	0.821	17	119.8276	1.146	276	119.8688	1.182	326	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|O<2>,4|H<1>,6|C<3>}	119.6227	1.259	3	119.8276	1.146	276	119.8688	1.182	326	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|P<4>,4|H<1>,6|C<3>}	119.7290	0.979	6	119.8276	1.146	276	119.8688	1.182	326	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|S<2>,4|H<1>,6|C<3>}	119.7305	0.793	4	119.8276	1.146	276	119.8688	1.182	326	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|S<4>,4|H<1>,6|C<3>}	119.4600	0.198	2	119.8276	1.146	276	119.8688	1.182	326	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,7|C<3>}	120.0160	0.328	2	119.8276	1.146	276	119.8688	1.182	326	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2){1|N<3>,3|H<1>,7|C<3>}	120.9120	0.458	5	120.6751	0.930	15	119.8688	1.182	326	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2){1|N<2>,3|H<1>,7|C<3>}	118.6895	0.960	2	120.6751	0.930	15	119.8688	1.182	326	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2){1|N<3>,3|H<1>,7|C<3>}	121.0234	0.551	8	120.6751	0.930	15	119.8688	1.182	326	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]S)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2{1|H<1>,1|S<4>,5|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]S)(H){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|C<4>,4|H<1>,6|C<3>}	121.3200	0.000	1	121.3200	0.000	1	119.8688	1.182	326	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]N)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2)	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,1|N<3>,5|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]N)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2){1|C<4>,1|P<4>,3|H<1>,6|C<3>}	119.2150	0.000	1	119.2150	0.000	1	119.8839	1.606	7	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]C)(H)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]N[6])(C[6a]C[6a]2)	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]H)2{1|N<3>,2|C<4>,4|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]C)(H){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]N[6])(C[6a]C[6a]2){2|N<3>,3|H<1>,6|C<3>}	120.0280	1.865	2	120.0280	3.480	2	119.8839	1.606	7	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C)(C[6a]C[6a]2)	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C)(C[6a]C[6a]2){3|H<1>,6|C<3>}	119.9790	1.370	4	119.9790	1.878	4	119.8839	1.606	7	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]C)(H)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]H)	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]H)2{1|H<1>,1|N<3>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]C)(H){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]H){3|H<1>,6|C<3>}	118.6305	0.648	4	118.6305	0.421	4	120.2072	3.499	68	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]C)(H)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]Ir)	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]H)2{1|Ir<6>,1|N<3>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]C)(H){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]Ir){1|C<4>,3|H<1>,5|C<3>}	118.9850	0.905	10	119.2776	1.490	14	120.2072	3.499	68	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]C)(H)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]Ir)	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]H)2{1|Ir<6>,1|N<3>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]C)(H){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]Ir){3|H<1>,6|C<3>}	120.0090	1.734	4	119.2776	1.490	14	120.2072	3.499	68	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]C)(H)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]S)	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]H)2{1|N<3>,1|S<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]C)(H){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]S){3|H<1>,6|C<3>}	119.4237	0.528	7	119.4237	0.279	7	120.2072	3.499	68	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[5a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]O)	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[5a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]O){1|C<4>,4|H<1>,5|C<3>}	120.0725	1.471	2	120.0725	2.165	2	120.2072	3.499	68	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]Ir)	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]H)2{1|Ir<6>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]Ir){1|C<4>,3|H<1>,5|C<3>}	119.4765	1.200	10	119.4765	1.441	10	120.2072	3.499	68	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]Rh)	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]H)2{1|Rh<6>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]Rh){1|C<4>,3|H<1>,5|C<3>}	118.9945	0.807	2	118.9945	0.651	2	120.2072	3.499	68	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]O)	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]O){1|O<2>,4|C<3>,5|H<1>}	119.9450	0.611	2	119.7382	0.251	6	120.2072	3.499	68	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]O)	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]O){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	119.6060	0.711	2	119.7382	0.251	6	120.2072	3.499	68	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]O)	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]O){1|C<4>,4|C<3>,5|H<1>}	119.6635	0.493	2	119.7382	0.251	6	120.2072	3.499	68	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]S[6a])(C[6a]C[6a]2)(C[6]C[6]N)	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]H)2{1|N<3>,1|S<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]S[6a])(C[6a]C[6a]2)(C[6]C[6]N){1|C<4>,2|H<1>,5|C<3>}	119.4472	0.775	4	119.4472	0.600	4	120.2072	3.499	68	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]S[6a])(C[6a]C[6a]2)(C[6]C[6]O)	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,1|S<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]S[6a])(C[6a]C[6a]2)(C[6]C[6]O){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	119.6195	0.354	2	119.6262	0.063	4	120.2072	3.499	68	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]S[6a])(C[6a]C[6a]2)(C[6]C[6]O)	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,1|S<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]S[6a])(C[6a]C[6a]2)(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	119.6330	0.255	2	119.6262	0.063	4	120.2072	3.499	68	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]Ir)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]C)(H)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]Ir)	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]Ir)(C[6a]C[6a]H){1|N<3>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]C)(H){1|Ir<7>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]Ir){1|C<4>,2|H<1>,5|C<3>}	122.3350	0.450	3	122.3350	0.202	3	120.2072	3.499	68	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]Ir)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]Ir)	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]Ir)(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|Ir<6>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]Ir){1|C<4>,2|H<1>,5|C<3>}	123.1018	1.704	10	123.2572	2.528	12	120.2072	3.499	68	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]Ir)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]Ir)	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]Ir)(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|Ir<7>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]Ir){1|C<4>,2|H<1>,5|C<3>}	124.0340	0.470	2	123.2572	2.528	12	120.2072	3.499	68	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:N[6]-3:	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(N[6]C[6]C)	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	N[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(N[6]C[6]C){1|C<4>,3|H<1>,4|C<3>}	120.1960	2.298	2	120.1960	5.281	2	120.0532	1.912	4	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:N[6]-3:	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(N[6]C[6]Ru)	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)2{1|Ru<10>,1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	N[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(N[6]C[6]Ru){1|O<2>,2|H<1>,4|C<3>}	119.9105	0.612	2	119.9105	0.374	2	120.0532	1.912	4	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]N[6]O)(N[6]C[6]C)	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]N[6]O)(N[6]C[6]C){1|N<2>,2|H<1>,4|C<3>}	120.0035	0.242	4	120.0035	0.058	4	120.0035	0.058	4	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[6]-3:C[6a]-3:C[6]-3:	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]O)	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	N[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]O){1|O<1>,2|H<1>,3|C<4>,4|C<3>}	119.8355	0.975	2	119.8355	0.951	2	119.8355	0.951	2	119.7547	1.454	1047	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6a,6a]-3:N[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:B[6]-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6]B[6]C[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6,6a]H)(B[6]O[6]FF)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6]B[6]C[6])(C[6a]C[6a]H){1|O<2>,2|F<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]N[6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,3|C<3>}	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6,6a]H)(B[6]O[6]FF){1|H<1>,5|C<3>}	120.0147	0.955	3	120.0147	0.911	3	120.0147	0.911	3	120.0432	1.977	130	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6a,6a]-3:N[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:In[6]-4:	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6]In[6]C[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6,6a]H)(In[6]O[6]CC)	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6]In[6]C[6])(C[6a]C[6a]H){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]N[6])(C[6a]C[6a]H)(H){1|In<4>,1|H<1>,1|N<2>,2|C<3>}	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6,6a]H)(In[6]O[6]CC){1|H<1>,1|N<2>,4|C<3>}	124.5275	0.688	4	124.5275	0.473	4	124.5275	0.473	4	120.0432	1.977	130	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[3,6]O)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6]C[3,6]O)(C[6a]C[6a]2)(C[6]C[6]HH){1|C<2>,1|H<1>,2|C<4>,4|C<3>}	118.4540	0.000	1	118.5020	0.005	2	119.6296	2.464	44	120.0432	1.977	130	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[3,6]O)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6]C[3,6]O)(C[6a]C[6a]2)(C[6]C[6]HH){1|C<2>,1|H<1>,3|C<3>,3|C<4>}	118.5500	0.000	1	118.5020	0.005	2	119.6296	2.464	44	120.0432	1.977	130	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[4,6,6]O)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6]C[4,6,6]O)(C[6a]C[6a]2)(C[6]C[6]HH){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	114.9227	0.218	3	114.9227	0.048	3	119.6296	2.464	44	120.0432	1.977	130	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6,6]O)(C[6a]C[6a]2)(C[6]C[6]CO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6]C[6,6]O)(C[6a]C[6a]2)(C[6]C[6]CO){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	122.0530	0.000	1	122.0530	0.000	1	119.6296	2.464	44	120.0432	1.977	130	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6,6]O)(C[6a]C[6a]2)(C[6]C[6]HO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6]C[6,6]O)(C[6a]C[6a]2)(C[6]C[6]HO){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	120.3647	0.279	3	120.3647	0.078	3	119.6296	2.464	44	120.0432	1.977	130	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	N[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]HH){1|O<2>,3|H<1>,4|C<3>}	121.9810	0.311	2	121.9810	0.097	2	119.6296	2.464	44	120.0432	1.977	130	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	N[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CH){1|H<1>,1|O<2>,7|C<3>}	120.7220	0.000	1	120.7220	0.000	1	119.6296	2.464	44	120.0432	1.977	130	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[5a,6]O)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[6](C[6]C[5a,6]O)(C[6a]C[6a]2)(C[6]C[6]HH){1|N<3>,3|C<3>,4|H<1>}	120.1840	0.195	2	120.1840	0.038	2	119.6296	2.464	44	120.0432	1.977	130	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6,6]O)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	N[6](C[6]C[6,6]O)(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	120.1126	0.476	8	120.1126	0.227	8	119.6296	2.464	44	120.0432	1.977	130	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH){4|C<3>,4|H<1>}	119.1809	0.521	10	119.1809	0.272	10	119.6296	2.464	44	120.0432	1.977	130	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]N[6]CC)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|N<2>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	N[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]N[6]CC){2|H<1>,4|C<3>}	120.0315	0.566	2	120.1528	0.337	6	119.6296	2.464	44	120.0432	1.977	130	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]N[6]CC)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]N[6]CC){3|H<1>,4|C<3>}	120.2135	0.663	4	120.1528	0.337	6	119.6296	2.464	44	120.0432	1.977	130	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]N[6]CH)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]N[6]CH){1|C<4>,2|H<1>,4|C<3>}	120.2730	1.715	2	120.2730	2.943	2	119.6296	2.464	44	120.0432	1.977	130	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]S[6]CH)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<4>,1|O<1>,1|S<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]S[6]CH){2|H<1>,4|C<3>}	119.8100	0.916	2	119.8100	0.840	2	119.6296	2.464	44	120.0432	1.977	130	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]N[6,6]O)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,1|H<1>,2|C<3>}	N[6](C[6]N[6,6]O)(C[6a]C[6a]2)(C[6]C[6]HH){2|C<3>,2|C<4>,4|H<1>}	119.9700	0.199	2	119.9700	0.040	2	119.6296	2.464	44	120.0432	1.977	130	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:N[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:B[6]-4:	C[6a](C[6a]C[6a]N[6])(N[6]B[6]C[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(B[6]O[6]FF)	C[6a](C[6a]C[6a]N[6])(N[6]B[6]C[6])(C[6a]C[6a]H){1|B<4>,1|O<2>,2|F<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|N<3>,2|C<3>}	N[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(B[6]O[6]FF){1|H<1>,1|N<3>,4|C<3>}	119.6150	0.336	4	119.6150	0.113	4	119.6150	0.113	4	120.0432	1.977	130	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6]-3:C[6a]-3:C[6]-4:	C[6a](N[6]C[6,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]N[6]CH)	C[6a](N[6]C[6,6]C[6])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]N[6]CH){2|C<4>,4|C<3>,4|H<1>}	120.0685	1.934	2	120.0685	3.740	2	120.4325	2.303	4	120.0432	1.977	130	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6]-3:C[6a]-3:C[6]-4:	C[6a](N[6]C[6,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]N[6]HH)	C[6a](N[6]C[6,6]C[6])(C[6a]C[6a]H)2{1|N<3>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	N[6](C[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]N[6]HH){2|C<4>,2|H<1>,5|C<3>}	120.7965	1.624	2	120.7965	2.638	2	120.4325	2.303	4	120.0432	1.977	130	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CC)	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]H)2{2|H<1>,3|C<3>,3|C<4>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CC){1|C<4>,4|C<3>,5|H<1>}	121.1535	0.153	2	121.1535	0.024	2	120.4740	0.803	8	120.0432	1.977	130	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH){1|P<4>,4|C<3>,5|H<1>}	120.2730	1.574	2	120.2475	0.873	6	120.4740	0.803	8	120.0432	1.977	130	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH){1|O<2>,4|C<3>,5|H<1>}	120.4800	1.273	2	120.2475	0.873	6	120.4740	0.803	8	120.0432	1.977	130	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH){1|P<4>,4|C<3>,5|H<1>}	119.9895	0.151	2	120.2475	0.873	6	120.4740	0.803	8	120.0432	1.977	130	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:B[6]-4:	C[6a](N[6]B[6]C[6])(C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(B[6]O[6]FF)	C[6a](N[6]B[6]C[6])(C[6a]C[6a]H)(C[6a]C[6a]S){1|O<2>,2|C<3>,2|F<1>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|S<2>,2|C<3>}	N[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(B[6]O[6]FF){1|H<1>,1|S<2>,4|C<3>}	119.3840	0.000	1	119.3840	0.000	1	119.9964	0.679	63	120.0432	1.977	130	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:B[6]-4:	C[6a](N[6]B[6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(B[6]O[6]CC)	C[6a](N[6]B[6]C[6])(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|B<4>,2|C<3>,2|H<1>}	N[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(B[6]O[6]CC){2|H<1>,4|C<3>}	119.9885	0.086	2	119.9885	0.007	2	119.9964	0.679	63	120.0432	1.977	130	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:B[6]-4:	C[6a](N[6]B[6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(B[6]O[6]CF)	C[6a](N[6]B[6]C[6])(C[6a]C[6a]H)2{1|F<1>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|Br<1>,1|B<4>,1|H<1>,2|C<3>}	N[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(B[6]O[6]CF){2|H<1>,4|C<3>}	120.2095	2.232	2	120.2095	4.983	2	119.9964	0.679	63	120.0432	1.977	130	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:B[6]-4:	C[6a](N[6]B[6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(B[6]O[6]FF)	C[6a](N[6]B[6]C[6])(C[6a]C[6a]H)2{1|N<3>,1|O<2>,2|C<3>,2|F<1>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|B<4>,2|C<3>,2|H<1>}	N[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(B[6]O[6]FF){2|H<1>,4|C<3>}	120.5280	0.000	1	120.0983	0.935	29	119.9964	0.679	63	120.0432	1.977	130	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:B[6]-4:	C[6a](N[6]B[6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(B[6]O[6]FF)	C[6a](N[6]B[6]C[6])(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|F<1>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|B<4>,1|C<2>,1|H<1>,2|C<3>}	N[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(B[6]O[6]FF){2|H<1>,4|C<3>}	120.5130	1.433	2	120.0983	0.935	29	119.9964	0.679	63	120.0432	1.977	130	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:B[6]-4:	C[6a](N[6]B[6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(B[6]O[6]FF)	C[6a](N[6]B[6]C[6])(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|F<1>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|B<4>,1|C<4>,1|H<1>,2|C<3>}	N[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(B[6]O[6]FF){2|H<1>,4|C<3>}	120.0001	0.839	8	120.0983	0.935	29	119.9964	0.679	63	120.0432	1.977	130	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:B[6]-4:	C[6a](N[6]B[6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(B[6]O[6]FF)	C[6a](N[6]B[6]C[6])(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|F<1>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|B<4>,1|F<1>,1|H<1>,2|C<3>}	N[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(B[6]O[6]FF){2|H<1>,4|C<3>}	119.4985	0.544	4	120.0983	0.935	29	119.9964	0.679	63	120.0432	1.977	130	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:B[6]-4:	C[6a](N[6]B[6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(B[6]O[6]FF)	C[6a](N[6]B[6]C[6])(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|F<1>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|N<3>,2|C<3>}	N[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(B[6]O[6]FF){2|H<1>,4|C<3>}	120.3627	0.574	6	120.0983	0.935	29	119.9964	0.679	63	120.0432	1.977	130	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:B[6]-4:	C[6a](N[6]B[6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(B[6]O[6]FF)	C[6a](N[6]B[6]C[6])(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|F<1>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|O<2>,2|C<3>}	N[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(B[6]O[6]FF){2|H<1>,4|C<3>}	120.1180	3.281	2	120.0983	0.935	29	119.9964	0.679	63	120.0432	1.977	130	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:B[6]-4:	C[6a](N[6]B[6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(B[6]O[6]FF)	C[6a](N[6]B[6]C[6])(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|F<1>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,3|C<3>}	N[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(B[6]O[6]FF){2|H<1>,4|C<3>}	120.4795	0.125	2	120.0983	0.935	29	119.9964	0.679	63	120.0432	1.977	130	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:B[6]-4:	C[6a](N[6]B[6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(B[6]O[6]FF)	C[6a](N[6]B[6]C[6])(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|F<1>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|B<4>,2|C<3>,2|H<1>}	N[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(B[6]O[6]FF){2|H<1>,4|C<3>}	119.9515	0.808	2	120.0983	0.935	29	119.9964	0.679	63	120.0432	1.977	130	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:B[6]-4:	C[6a](N[6]B[6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(B[6]O[6]FF)	C[6a](N[6]B[6]C[6])(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|F<1>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|Br<1>,1|B<4>,1|H<1>,2|C<3>}	N[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(B[6]O[6]FF){2|H<1>,4|C<3>}	120.0145	1.555	2	120.0983	0.935	29	119.9964	0.679	63	120.0432	1.977	130	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:B[6]-4:	C[6a](N[6]B[6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(B[6]O[6]OO)	C[6a](N[6]B[6]C[6])(C[6a]C[6a]H)2{2|C<3>,3|H<1>,3|O<2>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|B<4>,2|C<3>,2|H<1>}	N[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(B[6]O[6]OO){2|H<1>,4|C<3>}	119.6510	0.023	2	119.6510	0.001	2	119.9964	0.679	63	120.0432	1.977	130	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:B[6]-4:	C[6a](N[6]B[6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(B[6]N[6]FF)	C[6a](N[6]B[6]C[6])(C[6a]C[6a]H)2{1|N<3>,2|F<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|I<1>,2|C<3>}	N[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(B[6]N[6]FF){3|H<1>,6|C<3>}	120.1026	0.715	8	119.9491	0.368	26	119.9964	0.679	63	120.0432	1.977	130	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:B[6]-4:	C[6a](N[6]B[6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(B[6]N[6]FF)	C[6a](N[6]B[6]C[6])(C[6a]C[6a]H)2{1|N<3>,2|F<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|N<3>,2|C<3>}	N[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(B[6]N[6]FF){3|H<1>,6|C<3>}	119.9760	0.902	2	119.9491	0.368	26	119.9964	0.679	63	120.0432	1.977	130	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:B[6]-4:	C[6a](N[6]B[6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(B[6]N[6]FF)	C[6a](N[6]B[6]C[6])(C[6a]C[6a]H)2{1|N<3>,2|F<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|O<2>,2|C<3>}	N[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(B[6]N[6]FF){3|H<1>,6|C<3>}	120.1035	0.779	2	119.9491	0.368	26	119.9964	0.679	63	120.0432	1.977	130	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:B[6]-4:	C[6a](N[6]B[6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(B[6]N[6]FF)	C[6a](N[6]B[6]C[6])(C[6a]C[6a]H)2{1|N<3>,2|F<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|B<4>,2|C<3>,2|H<1>}	N[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(B[6]N[6]FF){3|H<1>,6|C<3>}	119.8354	0.539	14	119.9491	0.368	26	119.9964	0.679	63	120.0432	1.977	130	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:B[6]-4:	C[6a](N[6]B[6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])2(H)	N[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(B[6]O[6]FF)	C[6a](N[6]B[6]C[6])(C[6a]C[6a]H)2{1|N<3>,1|O<2>,2|C<3>,2|F<1>,2|H<1>}	C[6a](C[6a]C[6a]N[6])2(H){2|B<4>,2|H<1>,3|C<3>}	N[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(B[6]O[6]FF){2|H<1>,4|C<3>}	119.1620	0.000	1	119.1620	0.000	1	119.9964	0.679	63	120.0432	1.977	130	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:2:	C[6a,6a]-3:N[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:B[6]-4:N[6]-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6]B[6]N[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a,6a]C[6a])(B[6]N[5,6]FF)(N[6]C[6])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6]B[6]N[6])(C[6a]C[6a]H){1|N<3>,2|F<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]N[6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|N<2>,2|C<3>}	N[6](C[6a]C[6a,6a]C[6a])(B[6]N[5,6]FF)(N[6]C[6]){1|C<2>,1|H<1>,5|C<3>}	118.0620	0.000	1	118.0620	0.000	1	118.3847	0.229	3	120.0012	0.942	85	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:2:	C[6a,6a]-3:N[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:B[6]-4:N[6]-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6]B[6]N[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a,6a]C[6a])(B[6]N[6]FF)(N[6]C[6,6])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6]B[6]N[6])(C[6a]C[6a]H){1|N<3>,2|F<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]N[6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|N<2>,2|C<3>}	N[6](C[6a]C[6a,6a]C[6a])(B[6]N[6]FF)(N[6]C[6,6]){2|H<1>,5|C<3>}	118.5460	0.550	2	118.5460	0.303	2	118.3847	0.229	3	120.0012	0.942	85	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:2:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:B[6]-4:N[6]-2:	C[6a](N[6]B[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(B[6]N[6]FF)(N[6]C[6])	C[6a](N[6]B[6]N[6])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|F<1>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|B<4>,1|C<2>,1|C<3>,1|H<1>,1|N<2>}	N[6](C[6a]C[6a]2)(B[6]N[6]FF)(N[6]C[6]){1|C<2>,1|N<2>,2|H<1>,3|C<3>}	119.9675	0.318	4	119.9645	0.357	47	119.9724	0.361	63	120.0012	0.942	85	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:2:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:B[6]-4:N[6]-2:	C[6a](N[6]B[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(B[6]N[6]FF)(N[6]C[6])	C[6a](N[6]B[6]N[6])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|F<1>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|C<4>,1|H<1>,1|N<2>}	N[6](C[6a]C[6a]2)(B[6]N[6]FF)(N[6]C[6]){1|N<2>,2|H<1>,4|C<3>}	120.0198	0.635	27	119.9645	0.357	47	119.9724	0.361	63	120.0012	0.942	85	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:2:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:B[6]-4:N[6]-2:	C[6a](N[6]B[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(B[6]N[6]FF)(N[6]C[6])	C[6a](N[6]B[6]N[6])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|F<1>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|H<1>,1|N<2>,1|O<2>}	N[6](C[6a]C[6a]2)(B[6]N[6]FF)(N[6]C[6]){1|C<2>,1|N<2>,2|H<1>,3|C<3>}	120.3600	0.514	4	119.9645	0.357	47	119.9724	0.361	63	120.0012	0.942	85	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:2:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:B[6]-4:N[6]-2:	C[6a](N[6]B[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(B[6]N[6]FF)(N[6]C[6])	C[6a](N[6]B[6]N[6])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|F<1>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|N<2>,2|H<1>}	N[6](C[6a]C[6a]2)(B[6]N[6]FF)(N[6]C[6]){1|N<2>,2|H<1>,4|C<3>}	119.7073	0.554	12	119.9645	0.357	47	119.9724	0.361	63	120.0012	0.942	85	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:2:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:B[6]-4:N[6]-2:	C[6a](N[6]B[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(B[6]N[6]HH)(N[6]C[6])	C[6a](N[6]B[6]N[6])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|N<2>,2|H<1>}	N[6](C[6a]C[6a]2)(B[6]N[6]HH)(N[6]C[6]){1|N<2>,2|H<1>,4|C<3>}	119.9635	0.961	4	119.9635	0.924	4	119.9724	0.361	63	120.0012	0.942	85	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:2:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:B[6]-4:N[6]-2:	C[6a](N[6]B[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(B[6]N[6]OO)(N[6]C[6])	C[6a](N[6]B[6]N[6])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>,2|O<2>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|C<4>,1|H<1>,1|N<2>}	N[6](C[6a]C[6a]2)(B[6]N[6]OO)(N[6]C[6]){1|N<2>,2|H<1>,4|C<3>}	120.3377	0.481	4	120.0063	0.289	12	119.9724	0.361	63	120.0012	0.942	85	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:2:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:B[6]-4:N[6]-2:	C[6a](N[6]B[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(B[6]N[6]OO)(N[6]C[6])	C[6a](N[6]B[6]N[6])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>,2|O<2>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|N<2>,2|H<1>}	N[6](C[6a]C[6a]2)(B[6]N[6]OO)(N[6]C[6]){1|N<2>,2|H<1>,4|C<3>}	119.8406	0.510	8	120.0063	0.289	12	119.9724	0.361	63	120.0012	0.942	85	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:2:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:N[6]-2:	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6])	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]){1|O<2>,2|H<1>,4|C<3>}	120.3220	1.981	2	120.4965	1.551	4	120.2036	1.000	14	120.0012	0.942	85	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:2:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:N[6]-2:	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6])	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]){1|C<4>,3|C<3>,4|H<1>}	120.6710	0.778	2	120.4965	1.551	4	120.2036	1.000	14	120.0012	0.942	85	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:2:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:N[6]-2:	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]N[6]HH)(N[6]C[6])	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]N[6]HH)(N[6]C[6]){1|N<2>,2|H<1>,4|C<3>}	120.1843	0.959	8	120.0865	0.873	10	120.2036	1.000	14	120.0012	0.942	85	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:2:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:N[6]-2:	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]N[6]HH)(N[6]C[6])	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]N[6]HH)(N[6]C[6]){1|N<3>,2|H<1>,4|C<3>}	119.6955	1.018	2	120.0865	0.873	10	120.2036	1.000	14	120.0012	0.942	85	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:2:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:O[6]-2:	C[6a](N[6]C[6]O[6])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])	C[6a](N[6]C[6]O[6])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6]){1|O<2>,1|P<4>,2|C<3>,2|C<4>,3|H<1>}	121.7280	0.000	1	121.7280	0.000	1	120.7672	7.962	5	120.0012	0.942	85	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:2:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:O[6]-2:	C[6a](N[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])	C[6a](N[6]C[6]O[6])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6]){1|C<4>,3|H<1>,4|C<3>}	120.4275	5.216	2	120.4275	27.210	2	120.7672	7.962	5	120.0012	0.942	85	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:2:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:O[6]-2:	C[6a](N[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HN)(O[6]C[6])	C[6a](N[6]C[6]O[6])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]HN)(O[6]C[6]){1|C<4>,3|C<3>,4|H<1>}	120.6265	1.856	2	120.6265	3.445	2	120.7672	7.962	5	120.0012	0.942	85	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S[6]-4:C[6]-3:	C[6a](C[6,6a]C[6,6a]N[6])(N[6]C[6]S[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6,6a]C[6a])(S[6]C[6,6a]OO)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(N[6]C[6]S[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,2|O<1>,5|C<3>}	C[6a](C[6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|S<4>,2|C<3>}	N[6](C[6a]C[6,6a]C[6a])(S[6]C[6,6a]OO)(C[6]C[6]C){1|N<3>,2|H<1>,4|C<3>}	120.1420	0.362	2	120.1420	0.131	2	120.1420	0.131	2	120.1938	1.342	164	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:3:	C[6a,6a]-3:N[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S[6]-4:C[6]-3:	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6]C[6]S[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a,6a]C[6a])(S[6]C[6,6a]OO)(C[6]C[6]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6]C[6]S[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,2|O<1>,5|C<3>}	C[6a](C[6a]C[6a,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|S<4>,2|C<3>}	N[6](C[6a]C[6a,6a]C[6a])(S[6]C[6,6a]OO)(C[6]C[6]C){1|N<2>,2|H<1>,4|C<3>}	120.4695	0.245	2	120.4695	0.060	2	120.4695	0.060	2	120.1938	1.342	164	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]N[6])(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]N[6])(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O){1|C<4>,2|C<3>,6|H<1>}	118.7310	0.000	1	118.7310	0.000	1	118.7310	0.000	1	120.1938	1.342	164	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[5,6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[5,6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O){1|C<4>,2|C<3>,6|H<1>}	119.8610	0.000	1	119.8610	0.000	1	120.1338	0.923	78	120.1938	1.342	164	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|Cl<1>,2|C<3>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	118.4830	0.000	1	118.4830	0.000	1	120.1338	0.923	78	120.1938	1.342	164	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]N[6]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|Cl<1>,2|C<3>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]N[6]H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	119.4770	0.000	1	119.4770	0.000	1	120.1338	0.923	78	120.1938	1.342	164	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]Pd)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2){1|Pd<5>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]Pd){2|C<4>,3|C<3>,3|H<1>}	118.5080	0.000	1	118.5080	0.000	1	120.1338	0.923	78	120.1938	1.342	164	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	119.7033	0.504	3	119.7033	0.254	3	120.1338	0.923	78	120.1938	1.342	164	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]Ir)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2){1|Ir<6>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]Ir){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	121.2460	0.000	1	121.2460	0.000	1	120.1338	0.923	78	120.1938	1.342	164	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]Rh)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2){1|Rh<6>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]Rh){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	121.4545	1.116	4	121.4545	1.245	4	120.1338	0.923	78	120.1938	1.342	164	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(N[6]C[6]2){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]H){1|C<4>,1|S<2>,3|C<3>,3|H<1>}	119.8705	0.453	2	119.8705	0.205	2	120.1338	0.923	78	120.1938	1.342	164	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]C)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]C)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	119.9525	0.556	2	119.9525	0.310	2	120.1338	0.923	78	120.1938	1.342	164	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]C)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]O)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]C)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]O){1|C<4>,3|C<3>,4|H<1>}	118.7060	0.000	1	118.7060	0.000	1	120.1338	0.923	78	120.1938	1.342	164	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]F)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,1|F<1>,1|O<1>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]F)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O){1|O<2>,2|C<3>,6|H<1>}	122.8590	0.000	1	122.8590	0.000	1	120.1338	0.923	78	120.1938	1.342	164	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C){1|C<4>,2|C<2>,2|H<1>,3|C<3>}	119.9580	0.143	2	119.9580	0.020	2	120.1338	0.923	78	120.1938	1.342	164	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H){1|C<4>,2|C<2>,2|H<1>,3|C<3>}	120.2615	0.702	2	120.6813	0.502	4	120.1338	0.923	78	120.1938	1.342	164	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	121.1010	0.556	2	120.6813	0.502	4	120.1338	0.923	78	120.1938	1.342	164	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]O)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]O){1|C<4>,3|C<3>,5|H<1>}	119.9735	0.602	4	119.9560	0.383	6	120.1338	0.923	78	120.1938	1.342	164	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]O)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]O){2|C<3>,2|C<4>,5|H<1>}	119.9210	0.908	2	119.9560	0.383	6	120.1338	0.923	78	120.1938	1.342	164	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]N[6]O)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]N[6]O){1|C<4>,3|H<1>,4|C<3>}	120.1827	1.456	4	120.1827	2.119	4	120.1338	0.923	78	120.1938	1.342	164	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,1|H<1>,2|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	120.2430	0.197	2	120.2777	0.150	4	120.1338	0.923	78	120.1938	1.342	164	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,3|C<3>,4|H<1>}	120.3125	0.639	2	120.2777	0.150	4	120.1338	0.923	78	120.1938	1.342	164	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,1|F<1>,1|O<1>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O){1|O<2>,2|C<3>,6|H<1>}	119.0480	0.000	1	120.0483	0.299	23	120.1338	0.923	78	120.1938	1.342	164	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O){1|C<4>,2|C<3>,6|H<1>}	120.3205	0.770	2	120.0483	0.299	23	120.1338	0.923	78	120.1938	1.342	164	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O){1|O<2>,2|C<3>,6|H<1>}	120.2550	0.799	4	120.0483	0.299	23	120.1338	0.923	78	120.1938	1.342	164	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O){2|C<3>,2|C<4>,5|H<1>}	120.2142	0.483	6	120.0483	0.299	23	120.1338	0.923	78	120.1938	1.342	164	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O){2|C<3>,3|C<4>,4|H<1>}	120.0485	0.397	2	120.0483	0.299	23	120.1338	0.923	78	120.1938	1.342	164	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	119.4400	0.034	2	120.0483	0.299	23	120.1338	0.923	78	120.1938	1.342	164	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	120.1810	0.093	2	120.0483	0.299	23	120.1338	0.923	78	120.1938	1.342	164	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O){1|C<4>,2|H<1>,5|C<3>}	120.1635	0.018	2	120.0483	0.299	23	120.1338	0.923	78	120.1938	1.342	164	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	119.7260	0.486	2	120.0483	0.299	23	120.1338	0.923	78	120.1938	1.342	164	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]O)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]O){1|C<4>,1|I<1>,1|S<4>,2|C<3>,3|H<1>}	120.0870	1.822	2	120.5560	2.319	3	120.1338	0.923	78	120.1938	1.342	164	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]O)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]O){1|C<4>,3|C<3>,4|H<1>}	121.4940	0.000	1	120.5560	2.319	3	120.1338	0.923	78	120.1938	1.342	164	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]O[6]O)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]O[6]O){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	119.5430	0.406	2	119.5430	0.165	2	120.1338	0.923	78	120.1938	1.342	164	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HO)(C[6]C[6]H)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HO)(C[6]C[6]H){1|C<4>,3|C<3>,4|H<1>}	119.8785	1.126	2	119.9445	0.436	4	120.1338	0.923	78	120.1938	1.342	164	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HO)(C[6]C[6]H)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HO)(C[6]C[6]H){1|C<4>,3|H<1>,4|C<3>}	120.0105	0.149	2	119.9445	0.436	4	120.1338	0.923	78	120.1938	1.342	164	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]N[6]CC)(C[6]C[6]H)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]N[6]CC)(C[6]C[6]H){2|H<1>,4|C<3>}	120.1005	1.916	2	119.9633	3.110	4	120.1338	0.923	78	120.1938	1.342	164	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]N[6]CC)(C[6]C[6]H)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	N[6](C[6a]C[6a]2)(C[6]N[6]CC)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	119.8260	2.363	2	119.9633	3.110	4	120.1338	0.923	78	120.1938	1.342	164	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]N[6]HH)(C[6]C[6]H)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|N<3>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]N[6]HH)(C[6]C[6]H){1|C<4>,2|H<1>,4|C<3>}	120.5560	1.475	2	120.5560	2.176	2	120.1338	0.923	78	120.1938	1.342	164	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]O[6]HH)(C[6]C[6]O)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]O[6]HH)(C[6]C[6]O){1|O<2>,2|H<1>,3|C<3>}	119.9485	1.985	2	119.9485	3.940	2	120.1338	0.923	78	120.1938	1.342	164	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Br-1:	C[6,6a]-3:B[6]-4:C[6a]-3:	C[6a](N[6]C[6,6a]B[6])(C[6a]C[6a]Br)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(Br)	N[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]FF)(C[6a]C[6a]2)	C[6a](N[6]C[6,6a]B[6])(C[6a]C[6a]Br)2{1|N<3>,2|F<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(Br){1|Br<1>,1|B<4>,1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]FF)(C[6a]C[6a]2){2|Br<1>,1|H<1>,6|C<3>}	121.5380	0.086	2	121.5380	0.007	2	121.5380	0.007	2	120.1938	1.342	164	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:B[6]-4:C[6a]-3:	C[6a](N[6]C[6,6a]B[6])(C[6a]C[6a]Cl)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(Cl)	N[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]FF)(C[6a]C[6a]2)	C[6a](N[6]C[6,6a]B[6])(C[6a]C[6a]Cl)2{1|N<3>,2|F<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|B<4>,1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]FF)(C[6a]C[6a]2){2|Cl<1>,1|H<1>,6|C<3>}	121.5700	0.891	2	121.5700	0.794	2	121.5700	0.794	2	120.1938	1.342	164	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6,6a]-3:P[6]-4:C[6a]-3:	C[6a](N[6]C[6,6a]P[6])(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]F)(F)	N[6](C[6,6a]C[6,6a]C[6a])(P[6]C[6,6a]C[6a]S)(C[6a]C[6a]2)	C[6a](N[6]C[6,6a]P[6])(C[6a]C[6a]F)2{1|S<1>,2|F<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]F)(F){1|P<4>,2|C<3>,2|F<1>}	N[6](C[6,6a]C[6,6a]C[6a])(P[6]C[6,6a]C[6a]S)(C[6a]C[6a]2){1|H<1>,2|F<1>,8|C<3>}	121.2670	2.611	2	121.2670	6.815	2	121.2670	6.815	2	120.1938	1.342	164	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:B[6]-4:C[6]-3:	C[6a](N[6]B[6]C[6])(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]F)(F)	N[6](C[6a]C[6a]2)(B[6]N[6]II)(C[6]C[6]C)	C[6a](N[6]B[6]C[6])(C[6a]C[6a]F)2{1|C<4>,1|N<3>,2|C<3>,2|F<1>,2|I<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]F)(F){1|B<4>,2|C<3>,2|F<1>}	N[6](C[6a]C[6a]2)(B[6]N[6]II)(C[6]C[6]C){1|H<1>,2|F<1>,4|C<3>}	121.2495	1.169	4	121.2495	1.368	4	121.2495	1.368	4	120.1938	1.342	164	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[6]-4:C[6a]-3:	C[6a](N[6]C[5,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[5,6]C[5,6]C[5])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)	C[6a](N[6]C[5,6]C[6])(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	N[6](C[5,6]C[5,6]C[5])(C[6]C[6a]C[6]H)(C[6a]C[6a]2){2|O<2>,4|H<1>,6|C<3>}	120.4535	0.361	2	120.4535	0.131	2	120.4535	0.131	2	120.1938	1.342	164	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:B[6]-4:C[6a]-3:	C[6a](N[6]C[5a,6]B[6])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[5a,6]C[5a,6a]C[5a,6])(B[6]N[5a,6]FF)(C[6a]C[6a]2)	C[6a](N[6]C[5a,6]B[6])(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|B<4>,1|C<4>,1|H<1>,2|C<3>}	N[6](C[5a,6]C[5a,6a]C[5a,6])(B[6]N[5a,6]FF)(C[6a]C[6a]2){1|C<4>,1|H<1>,1|N<3>,6|C<3>}	114.5250	0.000	1	114.5250	0.000	1	119.3007	4.668	7	120.1938	1.342	164	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:B[6]-4:C[6a]-3:	C[6a](N[6]C[5a,6]B[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[5a,6]C[5a,6]S[5a])(B[6]N[6,6]FF)(C[6a]C[6a]2)	C[6a](N[6]C[5a,6]B[6])(C[6a]C[6a]H)2{1|N<3>,1|S<2>,2|C<3>,2|F<1>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|B<4>,1|C<4>,1|H<1>,2|C<3>}	N[6](C[5a,6]C[5a,6]S[5a])(B[6]N[6,6]FF)(C[6a]C[6a]2){1|N<2>,2|H<1>,5|C<3>}	120.3950	0.754	2	120.3950	0.568	2	119.3007	4.668	7	120.1938	1.342	164	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:B[6]-4:C[6a]-3:	C[6a](N[6]C[5a,6]B[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[5a,6]C[5a,6a]C[5a,6])(B[6]N[5a,6]FF)(C[6a]C[6a]2)	C[6a](N[6]C[5a,6]B[6])(C[6a]C[6a]H)2{1|N<3>,2|F<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|B<4>,2|C<3>,2|H<1>}	N[6](C[5a,6]C[5a,6a]C[5a,6])(B[6]N[5a,6]FF)(C[6a]C[6a]2){1|N<3>,2|H<1>,6|C<3>}	119.9475	0.434	4	119.9475	0.189	4	119.3007	4.668	7	120.1938	1.342	164	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[6]-4:C[6a]-3:	C[6a](N[6]C[5a,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)	C[6a](N[6]C[5a,6]C[6])(C[6a]C[6a]H)2{1|N<3>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2){1|N<2>,2|H<1>,8|C<3>}	119.9195	2.971	2	119.9195	8.824	2	119.9195	8.824	2	120.1938	1.342	164	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6]-3:B[6]-4:C[6a]-3:	C[6a](N[6]C[6,6]B[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6]P[6,6]S[6])(B[6]C[6a]2C[6])(C[6a]C[6a]2)	C[6a](N[6]C[6,6]B[6])(C[6a]C[6a]H)2{1|C<4>,1|P<4>,1|S<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|B<4>,2|C<3>,2|H<1>}	N[6](C[6,6]P[6,6]S[6])(B[6]C[6a]2C[6])(C[6a]C[6a]2){1|B<4>,2|C<4>,4|H<1>,7|C<3>}	119.2715	1.254	2	119.2715	1.572	2	119.2715	1.572	2	120.1938	1.342	164	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)(C[6a]C[6a]2)	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)(C[6a]C[6a]2){3|H<1>,6|C<3>}	120.9295	2.249	2	120.9295	5.059	2	120.2351	1.597	12	120.1938	1.342	164	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]H)2{3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2){1|N<2>,3|H<1>,7|C<3>}	120.4910	0.223	2	120.4910	0.050	2	120.2351	1.597	12	120.1938	1.342	164	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O)(C[6a]C[6a]2)	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O)(C[6a]C[6a]2){1|N<2>,1|N<3>,3|H<1>,6|C<3>}	119.2805	0.152	2	119.2805	0.023	2	120.2351	1.597	12	120.1938	1.342	164	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(C[6a]C[6a]2)	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]H)2{1|N<3>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(C[6a]C[6a]2){3|H<1>,8|C<3>}	120.0310	1.847	2	120.0310	3.411	2	120.2351	1.597	12	120.1938	1.342	164	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[5a,6]C[5]H)(C[6a]C[6a]2)	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[5a,6]C[5]H)(C[6a]C[6a]2){1|C<4>,2|N<3>,3|H<1>,5|C<3>}	119.8935	2.214	2	119.8935	4.902	2	120.2351	1.597	12	120.1938	1.342	164	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]H)2{3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2){2|H<1>,9|C<3>}	120.7850	0.532	2	120.7850	0.283	2	120.2351	1.597	12	120.1938	1.342	164	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:B[6]-4:C[6a]-3:	C[6a](N[6]B[6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6a]C[6])(B[6]N[5,6]FF)(C[6a]C[6a]2)	C[6a](N[6]B[6]C[6])(C[6a]C[6a]H)2{1|N<3>,2|F<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|N<3>,2|C<3>}	N[6](C[6]C[6a]C[6])(B[6]N[5,6]FF)(C[6a]C[6a]2){3|H<1>,6|C<3>}	120.8300	0.507	4	120.3499	0.489	12	120.4164	0.724	22	120.1938	1.342	164	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:B[6]-4:C[6a]-3:	C[6a](N[6]B[6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6a]C[6])(B[6]N[5,6]FF)(C[6a]C[6a]2)	C[6a](N[6]B[6]C[6])(C[6a]C[6a]H)2{1|N<3>,2|F<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|B<4>,2|C<3>,2|H<1>}	N[6](C[6]C[6a]C[6])(B[6]N[5,6]FF)(C[6a]C[6a]2){2|H<1>,7|C<3>}	120.0867	0.938	4	120.3499	0.489	12	120.4164	0.724	22	120.1938	1.342	164	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:B[6]-4:C[6a]-3:	C[6a](N[6]B[6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6a]C[6])(B[6]N[5,6]FF)(C[6a]C[6a]2)	C[6a](N[6]B[6]C[6])(C[6a]C[6a]H)2{1|N<3>,2|F<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|B<4>,2|C<3>,2|H<1>}	N[6](C[6]C[6a]C[6])(B[6]N[5,6]FF)(C[6a]C[6a]2){3|H<1>,6|C<3>}	120.1330	0.439	4	120.3499	0.489	12	120.4164	0.724	22	120.1938	1.342	164	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:B[6]-4:C[6a]-3:	C[6a](N[6]B[6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6a]C[6])(B[6]N[6,6]FF)(C[6a]C[6a]2)	C[6a](N[6]B[6]C[6])(C[6a]C[6a]H)2{1|N<3>,2|F<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|N<3>,2|C<3>}	N[6](C[6]C[6a]C[6])(B[6]N[6,6]FF)(C[6a]C[6a]2){2|H<1>,7|C<3>}	120.6868	1.109	4	120.6374	1.263	8	120.4164	0.724	22	120.1938	1.342	164	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:B[6]-4:C[6a]-3:	C[6a](N[6]B[6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6a]C[6])(B[6]N[6,6]FF)(C[6a]C[6a]2)	C[6a](N[6]B[6]C[6])(C[6a]C[6a]H)2{1|N<3>,2|F<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|B<4>,2|C<3>,2|H<1>}	N[6](C[6]C[6a]C[6])(B[6]N[6,6]FF)(C[6a]C[6a]2){2|H<1>,7|C<3>}	120.5770	2.167	2	120.6374	1.263	8	120.4164	0.724	22	120.1938	1.342	164	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:B[6]-4:C[6a]-3:	C[6a](N[6]B[6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6a]C[6])(B[6]N[6,6]FF)(C[6a]C[6a]2)	C[6a](N[6]B[6]C[6])(C[6a]C[6a]H)2{1|N<3>,2|F<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|B<4>,2|C<3>,2|H<1>}	N[6](C[6]C[6a]C[6])(B[6]N[6,6]FF)(C[6a]C[6a]2){3|H<1>,6|C<3>}	120.5990	0.660	2	120.6374	1.263	8	120.4164	0.724	22	120.1938	1.342	164	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:B[6]-4:C[6a]-3:	C[6a](N[6]B[6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6a]N[6])(B[6]N[6,6]FF)(C[6a]C[6a]2)	C[6a](N[6]B[6]C[6])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,2|F<1>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|B<4>,2|C<3>,2|H<1>}	N[6](C[6]C[6a]N[6])(B[6]N[6,6]FF)(C[6a]C[6a]2){2|H<1>,6|C<3>}	119.9315	0.264	2	119.9315	0.070	2	120.4164	0.724	22	120.1938	1.342	164	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:Ga[6]-4:C[6a]-3:	C[6a](N[6]Ga[6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6,6a]H)(Ga[6]O[6]CC)(C[6a]C[6a]2)	C[6a](N[6]Ga[6]C[6])(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|Ga<4>,2|C<3>,2|H<1>}	N[6](C[6]C[6,6a]H)(Ga[6]O[6]CC)(C[6a]C[6a]2){2|H<1>,4|C<3>}	120.4540	1.680	2	120.4540	2.823	2	120.3280	0.906	6	120.1938	1.342	164	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:Ga[6]-4:C[6a]-3:	C[6a](N[6]Ga[6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]N[3x6]C[6a])(Ga[6]N[6,6]CC)(C[6a]C[6a]2)	C[6a](N[6]Ga[6]C[6])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|Ga<4>,2|C<3>,2|H<1>}	N[6](C[6]N[3x6]C[6a])(Ga[6]N[6,6]CC)(C[6a]C[6a]2){2|Ga<4>,2|H<1>,5|C<3>}	120.3310	1.225	2	120.3310	1.500	2	120.3280	0.906	6	120.1938	1.342	164	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:Ga[6]-4:C[6a]-3:	C[6a](N[6]Ga[6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]N[6,6]C[6a])(Ga[6]N[6,6]CC)(C[6a]C[6a]2)	C[6a](N[6]Ga[6]C[6])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|Ga<4>,2|C<3>,2|H<1>}	N[6](C[6]N[6,6]C[6a])(Ga[6]N[6,6]CC)(C[6a]C[6a]2){2|Ga<4>,2|H<1>,5|C<3>}	120.1990	0.378	2	120.1990	0.143	2	120.3280	0.906	6	120.1938	1.342	164	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:B[6]-4:C[6]-3:	C[6a](N[6]B[6]C[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(B[6]N[6]FF)(C[6]C[6]C)	C[6a](N[6]B[6]C[6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|N<3>,2|C<3>,2|F<1>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|O<2>,2|C<3>}	N[6](C[6a]C[6a]2)(B[6]N[6]FF)(C[6]C[6]C){1|O<2>,2|H<1>,4|C<3>}	119.9760	0.065	2	119.9760	0.004	2	119.6784	0.738	10	120.1938	1.342	164	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:B[6]-4:C[6]-3:	C[6a](N[6]B[6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]Br)(H)	N[6](C[6a]C[6a]2)(B[6]O[6]FF)(C[6]C[6]H)	C[6a](N[6]B[6]C[6])(C[6a]C[6a]H)2{1|Br<1>,1|O<2>,2|C<3>,2|F<1>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]Br)(H){1|B<4>,2|C<3>,2|H<1>}	N[6](C[6a]C[6a]2)(B[6]O[6]FF)(C[6]C[6]H){2|H<1>,4|C<3>}	118.2900	0.000	1	118.2900	0.000	1	119.6784	0.738	10	120.1938	1.342	164	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:B[6]-4:C[6]-3:	C[6a](N[6]B[6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(B[6]N[6]FF)(C[6]C[6]C)	C[6a](N[6]B[6]C[6])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,2|F<1>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|B<4>,2|C<3>,2|H<1>}	N[6](C[6a]C[6a]2)(B[6]N[6]FF)(C[6]C[6]C){3|H<1>,4|C<3>}	119.4110	1.109	2	119.4110	1.229	2	119.6784	0.738	10	120.1938	1.342	164	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:B[6]-4:C[6]-3:	C[6a](N[6]B[6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(B[6]O[6]FF)(C[6]C[6]H)	C[6a](N[6]B[6]C[6])(C[6a]C[6a]H)2{1|Br<1>,1|O<2>,2|C<3>,2|F<1>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|B<4>,2|C<3>,2|H<1>}	N[6](C[6a]C[6a]2)(B[6]O[6]FF)(C[6]C[6]H){2|H<1>,4|C<3>}	120.9010	0.000	1	120.1940	0.859	3	119.6784	0.738	10	120.1938	1.342	164	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:B[6]-4:C[6]-3:	C[6a](N[6]B[6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(B[6]O[6]FF)(C[6]C[6]H)	C[6a](N[6]B[6]C[6])(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|F<1>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|B<4>,2|C<3>,2|H<1>}	N[6](C[6a]C[6a]2)(B[6]O[6]FF)(C[6]C[6]H){3|C<3>,3|H<1>}	119.8405	0.984	2	120.1940	0.859	3	119.6784	0.738	10	120.1938	1.342	164	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:B[6]-4:C[6]-3:	C[6a](N[6]B[6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(B[6]O[6]FF)(C[6]C[6]S)	C[6a](N[6]B[6]C[6])(C[6a]C[6a]H)2{1|O<2>,1|S<2>,2|C<3>,2|F<1>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|B<4>,2|C<3>,2|H<1>}	N[6](C[6a]C[6a]2)(B[6]O[6]FF)(C[6]C[6]S){3|C<3>,3|H<1>}	119.5690	0.786	2	119.5690	0.618	2	119.6784	0.738	10	120.1938	1.342	164	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:N[6]-3:	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]N)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,3|N<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	122.8840	0.270	2	122.8840	0.073	2	121.2408	4.554	4	120.1938	1.342	164	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:N[6]-3:	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]N[6]HH)(N[6]C[6]Pd)	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)2{1|Pd<4>,1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]N[6]HH)(N[6]C[6]Pd){1|N<2>,2|H<1>,4|C<3>}	119.5975	1.669	2	119.5975	2.787	2	121.2408	4.554	4	120.1938	1.342	164	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S[6]-4:C[6]-3:	C[6a](N[6]C[6]S[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(S[6]C[6]OO)(C[6]C[6]C)	C[6a](N[6]C[6]S[6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,2|O<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|S<4>,2|C<3>}	N[6](C[6a]C[6a]2)(S[6]C[6]OO)(C[6]C[6]C){3|C<3>,4|H<1>}	119.6195	0.354	2	119.6195	0.126	2	119.3880	1.493	4	120.1938	1.342	164	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S[6]-4:C[6]-3:	C[6a](N[6]C[6]S[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(S[6]N[6]OO)(C[6]N[6]C)	C[6a](N[6]C[6]S[6])(C[6a]C[6a]H)2{2|C<3>,2|H<1>,2|N<2>,2|O<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|S<4>,2|C<3>,2|H<1>}	N[6](C[6a]C[6a]2)(S[6]N[6]OO)(C[6]N[6]C){2|H<1>,3|C<3>}	119.1565	2.034	2	119.1565	4.139	2	119.3880	1.493	4	120.1938	1.342	164	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[5,6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[5,6a]N[6])(C[6a]C[6a]Cl)(H)	N[6](C[6a]C[5,6a]C[6a])(C[6]C[6]HH)2	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(N[6]C[6]2){1|Cl<1>,1|N<3>,3|C<3>,3|C<4>,4|H<1>}	C[6a](C[6a]C[5,6a]N[6])(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,3|C<4>}	N[6](C[6a]C[5,6a]C[6a])(C[6]C[6]HH)2{2|C<3>,2|C<4>,5|H<1>}	121.7630	0.000	1	121.7630	0.000	1	121.7630	0.000	1	121.7872	2.678	489	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[5a,6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[5a,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]HH)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6]C[6]2){1|N<3>,2|C<3>,2|C<4>,6|H<1>}	C[6a](C[6a]C[5a,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]HH)2{1|C<4>,3|C<3>,5|H<1>}	123.6530	0.000	1	123.3978	0.189	4	123.4401	0.612	7	121.7872	2.678	489	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[5a,6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[5a,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]HH)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6]C[6]2){1|N<3>,2|C<3>,2|C<4>,6|H<1>}	C[6a](C[6a]C[5a,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]HH)2{1|N<4>,3|C<3>,5|H<1>}	123.4400	0.618	2	123.3978	0.189	4	123.4401	0.612	7	121.7872	2.678	489	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[5a,6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[5a,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]HH)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6]C[6]2){1|N<3>,2|C<3>,2|C<4>,6|H<1>}	C[6a](C[6a]C[5a,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]HH)2{1|O<2>,3|C<3>,5|H<1>}	123.0580	0.000	1	123.3978	0.189	4	123.4401	0.612	7	121.7872	2.678	489	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[5a,6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[5a,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]HH)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,1|N<2>,1|O<2>,2|C<4>,5|H<1>}	C[6a](C[6a]C[5a,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|C<4>}	N[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]HH)2{1|N<2>,1|N<3>,2|C<3>,5|H<1>}	123.0230	1.321	2	123.4967	1.545	3	123.4401	0.612	7	121.7872	2.678	489	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[5a,6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[5a,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]HH)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,1|N<2>,1|S<2>,2|C<4>,5|H<1>}	C[6a](C[6a]C[5a,6a]N[6])(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|N<2>,2|C<4>}	N[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]HH)2{1|C<4>,1|N<2>,2|C<3>,5|H<1>}	124.4440	0.000	1	123.4967	1.545	3	123.4401	0.612	7	121.7872	2.678	489	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]F)(N[6]C[6]2)	C[6a](C[6a]C[6,6a]N[6])(C[6a]C[6a,6a]H)(F)	N[6](C[6a]C[6,6a]C[6a])(C[6]C[6]HH)2	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]F)(N[6]C[6]2){1|C<3>,1|N<3>,3|C<4>,7|H<1>}	C[6a](C[6a]C[6,6a]N[6])(C[6a]C[6a,6a]H)(F){2|C<3>,3|C<4>}	N[6](C[6a]C[6,6a]C[6a])(C[6]C[6]HH)2{1|F<1>,2|C<3>,2|C<4>,4|H<1>}	123.7920	0.000	1	123.7920	0.000	1	121.7010	3.333	10	121.7872	2.678	489	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6,6a]C[6,6a,6a]O[6])(C[6a]C[6a]F)(N[6]C[6]2)	C[6a](C[6a]C[6,6a]N[6])(C[6a]C[6a,6a]H)(F)	N[6](C[6a]C[6,6a]C[6a])(C[6]C[6]HH)2	C[6a](C[6,6a]C[6,6a,6a]O[6])(C[6a]C[6a]F)(N[6]C[6]2){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	C[6a](C[6a]C[6,6a]N[6])(C[6a]C[6a,6a]H)(F){1|O<2>,2|C<3>,2|C<4>}	N[6](C[6a]C[6,6a]C[6a])(C[6]C[6]HH)2{1|F<1>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	121.7134	1.725	8	121.4687	3.142	9	121.7010	3.333	10	121.7872	2.678	489	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6,6a]C[6,6a,6a]O[6])(C[6a]C[6a]F)(N[6]C[6]2)	C[6a](C[6a]C[6,6a]N[6])(C[6a]C[6a,6a]H)(F)	N[6](C[6a]C[6,6a]C[6a])(C[6]C[6]HH)2	C[6a](C[6,6a]C[6,6a,6a]O[6])(C[6a]C[6a]F)(N[6]C[6]2){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	C[6a](C[6a]C[6,6a]N[6])(C[6a]C[6a,6a]H)(F){1|O<2>,2|C<3>,2|C<4>}	N[6](C[6a]C[6,6a]C[6a])(C[6]C[6]HH)2{1|F<1>,1|N<4>,1|O<2>,2|C<3>,4|H<1>}	119.5110	0.000	1	121.4687	3.142	9	121.7010	3.333	10	121.7872	2.678	489	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6,6a]N[6])(C[6a]C[6a]C)(H)	N[6](C[6a]C[6,6a]C[6a])(C[6]C[6]HH)2	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H)(N[6]C[6]2){1|N<3>,3|C<3>,3|C<4>,4|H<1>}	C[6a](C[6a]C[6,6a]N[6])(C[6a]C[6a]C)(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6a]C[6,6a]C[6a])(C[6]C[6]HH)2{1|O<2>,3|C<3>,5|H<1>}	121.1570	0.000	1	121.1570	0.000	1	121.3546	0.301	5	121.7872	2.678	489	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6,6a]N[6])(C[6a]C[6a]Cl)(H)	N[6](C[6a]C[6,6a]C[6a])(C[6]C[6]HH)2	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H)(N[6]C[6]2){1|Cl<1>,1|N<3>,2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6,6a]N[6])(C[6a]C[6a]Cl)(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6a]C[6,6a]C[6a])(C[6]C[6]HH)2{1|O<2>,3|C<3>,5|H<1>}	120.6310	0.000	1	120.6310	0.000	1	121.3546	0.301	5	121.7872	2.678	489	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6,6a]C[6a])(C[6]C[6]HH)2	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H)(N[6]C[6]2){1|N<3>,2|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6a]C[6,6a]C[6a])(C[6]C[6]HH)2{1|C<4>,3|C<3>,5|H<1>}	121.1790	0.000	1	121.5060	0.214	2	121.3546	0.301	5	121.7872	2.678	489	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6,6a]C[6a])(C[6]C[6]HH)2	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H)(N[6]C[6]2){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6a]C[6,6a]C[6a])(C[6]C[6]HH)2{1|O<2>,3|C<3>,5|H<1>}	121.8330	0.000	1	121.5060	0.214	2	121.3546	0.301	5	121.7872	2.678	489	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6,6a]C[6a])(C[6]C[6]HH)2	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(N[6]C[6]2){2|C<3>,3|C<4>,6|H<1>}	C[6a](C[6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	N[6](C[6a]C[6,6a]C[6a])(C[6]C[6]HH)2{1|N<3>,1|N<4>,2|C<3>,5|H<1>}	121.9730	0.000	1	121.9730	0.000	1	121.3546	0.301	5	121.7872	2.678	489	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]H)(N[6]C[6]2)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]N[6])(H)	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]H)(N[6]C[6]2){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]N[6])(H){1|N<2>,2|C<3>,3|C<4>}	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2{1|C<4>,3|C<3>,5|H<1>}	122.6565	0.108	2	122.6565	0.012	2	122.6565	0.012	2	121.7872	2.678	489	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a,6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a,6a]N[6])(C[6a]C[6,6a]H)(H)	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]2){2|C<4>,3|C<3>,6|H<1>}	C[6a](C[6a]C[6a,6a]N[6])(C[6a]C[6,6a]H)(H){2|C<4>,3|C<3>}	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2{1|C<4>,3|C<3>,5|H<1>}	122.4342	0.592	5	122.2398	0.927	9	122.7046	0.965	20	121.7872	2.678	489	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a,6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a,6a]N[6])(C[6a]C[6,6a]H)(H)	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]2){2|C<4>,3|C<3>,6|H<1>}	C[6a](C[6a]C[6a,6a]N[6])(C[6a]C[6,6a]H)(H){2|C<4>,3|C<3>}	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2{1|N<4>,3|C<3>,5|H<1>}	122.5590	0.000	1	122.2398	0.927	9	122.7046	0.965	20	121.7872	2.678	489	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a,6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a,6a]N[6])(C[6a]C[6,6a]H)(H)	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]2){2|C<4>,3|C<3>,6|H<1>}	C[6a](C[6a]C[6a,6a]N[6])(C[6a]C[6,6a]H)(H){2|C<4>,3|C<3>}	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2{1|O<2>,3|C<3>,5|H<1>}	122.7295	0.296	2	122.2398	0.927	9	122.7046	0.965	20	121.7872	2.678	489	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a,6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a,6a]N[6])(C[6a]C[6,6a]H)(H)	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]2){2|C<4>,3|C<3>,6|H<1>}	C[6a](C[6a]C[6a,6a]N[6])(C[6a]C[6,6a]H)(H){2|C<4>,3|C<3>}	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2{1|S<2>,3|C<3>,5|H<1>}	119.9690	0.000	1	122.2398	0.927	9	122.7046	0.965	20	121.7872	2.678	489	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a,6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6]C[6]2){1|N<2>,2|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2{1|O<2>,3|C<3>,5|H<1>}	120.6760	0.000	1	120.6760	0.000	1	122.7046	0.965	20	121.7872	2.678	489	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a,6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]2){2|C<4>,3|C<3>,6|H<1>}	C[6a](C[6a]C[6a,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2{1|C<4>,3|C<3>,5|H<1>}	123.5870	0.000	1	123.5385	0.025	6	122.7046	0.965	20	121.7872	2.678	489	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a,6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]2){2|C<4>,3|C<3>,6|H<1>}	C[6a](C[6a]C[6a,6a]N[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|C<4>}	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2{1|C<4>,3|C<3>,5|H<1>}	123.5817	0.146	4	123.5385	0.025	6	122.7046	0.965	20	121.7872	2.678	489	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a,6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]2){2|C<4>,3|C<3>,6|H<1>}	C[6a](C[6a]C[6a,6a]N[6])(C[6a]C[6a]H)(H){2|C<4>,3|C<3>}	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2{1|C<4>,3|C<3>,5|H<1>}	123.3170	0.000	1	123.5385	0.025	6	122.7046	0.965	20	121.7872	2.678	489	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a,6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a,6a]N[6])(C[6a]N[6a]H)(H)	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]2){1|N<2>,2|C<3>,2|C<4>,6|H<1>}	C[6a](C[6a]C[6a,6a]N[6])(C[6a]N[6a]H)(H){2|C<3>,2|C<4>}	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2{1|N<3>,3|C<3>,5|H<1>}	122.9620	0.287	3	122.9620	0.082	3	122.7046	0.965	20	121.7872	2.678	489	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a,6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[6]C[6]2){2|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2{1|N<2>,1|N<3>,2|C<3>,5|H<1>}	123.1420	0.000	1	123.1420	0.000	1	122.7046	0.965	20	121.7872	2.678	489	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N[6])(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(N[6]C[6]2){2|C<3>,2|C<4>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N[6])(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<4>,2|C<3>,6|H<1>}	119.0760	0.000	1	119.0760	0.000	1	121.3785	10.603	2	121.7872	2.678	489	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[5,6a]H)(C[6a]N[6a]C)(N[6]C[6]2)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N[6])(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[5,6a]H)(C[6a]N[6a]C)(N[6]C[6]2){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N[6])(H){1|N<2>,1|N<3>,1|O<1>,4|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<3>,1|C<4>,1|N<2>,1|O<2>,5|H<1>}	123.6810	0.000	1	123.6810	0.000	1	121.3785	10.603	2	121.7872	2.678	489	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[6])(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,1|N<2>,2|C<4>,5|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[6])(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<3>,2|C<3>,6|H<1>}	122.4690	0.000	1	121.0405	3.472	4	121.0405	3.472	4	121.7872	2.678	489	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[6])(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[6])(H){1|H<1>,1|N<2>,1|S<4>,2|C<3>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<3>,2|C<3>,6|H<1>}	121.9110	0.000	1	121.0405	3.472	4	121.0405	3.472	4	121.7872	2.678	489	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[6])(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[6])(H){1|H<1>,1|N<2>,2|C<4>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<4>,2|C<3>,6|H<1>}	121.4680	0.000	1	121.0405	3.472	4	121.0405	3.472	4	121.7872	2.678	489	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[6])(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[6])(H){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<3>,2|C<3>,6|H<1>}	118.3140	0.000	1	121.0405	3.472	4	121.0405	3.472	4	121.7872	2.678	489	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6,6a]F)(C[6a]C[6a]F)(N[6]C[6]2)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N[6])(F)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6,6a]F)(C[6a]C[6a]F)(N[6]C[6]2){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N[6])(F){1|F<1>,3|C<3>,3|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<3>,2|C<3>,2|F<1>,4|H<1>}	125.1110	0.000	1	122.7950	10.728	2	122.7950	10.728	2	121.7872	2.678	489	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6,6a]F)(C[6a]C[6a]F)(N[6]C[6]2)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N[6])(F)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6,6a]F)(C[6a]C[6a]F)(N[6]C[6]2){1|C<3>,2|C<4>,2|N<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N[6])(F){1|F<1>,3|C<3>,3|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<3>,2|C<3>,2|C<4>,2|F<1>,2|H<1>}	120.4790	0.000	1	122.7950	10.728	2	122.7950	10.728	2	121.7872	2.678	489	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]F)(N[6]C[6]2)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N[6])(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]F)(N[6]C[6]2){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N[6])(H){1|F<1>,3|C<3>,3|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|F<1>,1|N<3>,2|C<3>,5|H<1>}	123.0654	1.492	14	122.8796	1.927	18	122.6667	1.532	31	121.7872	2.678	489	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]F)(N[6]C[6]2)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N[6])(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]F)(N[6]C[6]2){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N[6])(H){1|F<1>,3|C<3>,3|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|F<1>,1|N<4>,2|C<3>,5|H<1>}	122.2293	0.741	4	122.8796	1.927	18	122.6667	1.532	31	121.7872	2.678	489	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]F)(N[6]C[6]2)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]N[6])(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]F)(N[6]C[6]2){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]N[6])(H){1|C<3>,1|F<1>,1|N<3>,3|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|F<1>,1|S<2>,2|C<3>,5|H<1>}	123.3157	0.439	4	123.3157	0.193	4	122.6667	1.532	31	121.7872	2.678	489	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]N[6])(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]N[6])(H){1|H<1>,2|C<4>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<4>,2|C<3>,6|H<1>}	121.9524	0.830	9	121.9524	0.689	9	122.6667	1.532	31	121.7872	2.678	489	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a,6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a,6a]F)(C[6a]C[6a]F)(N[6]C[6]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[6])(F)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a,6a]F)(C[6a]C[6a]F)(N[6]C[6]2){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[6])(F){1|F<1>,3|C<3>,3|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<4>,1|N<4>,2|C<3>,2|F<1>,3|H<1>}	119.8310	0.000	1	120.8509	3.415	9	120.8509	3.415	9	121.7872	2.678	489	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a,6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a,6a]F)(C[6a]C[6a]F)(N[6]C[6]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[6])(F)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a,6a]F)(C[6a]C[6a]F)(N[6]C[6]2){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[6])(F){1|F<1>,3|C<3>,3|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<4>,2|C<3>,2|F<1>,4|H<1>}	125.3680	0.000	1	120.8509	3.415	9	120.8509	3.415	9	121.7872	2.678	489	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a,6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a,6a]F)(C[6a]C[6a]F)(N[6]C[6]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[6])(F)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a,6a]F)(C[6a]C[6a]F)(N[6]C[6]2){1|C<3>,2|C<4>,2|N<3>,4|H<1>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[6])(F){1|F<1>,3|C<3>,3|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<3>,2|C<3>,2|C<4>,2|F<1>,2|H<1>}	120.9230	0.250	3	120.8509	3.415	9	120.8509	3.415	9	121.7872	2.678	489	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a,6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a,6a]F)(C[6a]C[6a]F)(N[6]C[6]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[6])(F)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a,6a]F)(C[6a]C[6a]F)(N[6]C[6]2){1|C<3>,2|C<4>,2|N<3>,4|H<1>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[6])(F){1|F<1>,3|C<3>,3|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<4>,2|C<3>,2|C<4>,2|F<1>,2|H<1>}	119.9225	0.872	4	120.8509	3.415	9	120.8509	3.415	9	121.7872	2.678	489	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]F)(N[6]C[6]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[6])(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]F)(N[6]C[6]2){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[6])(H){1|F<1>,3|C<3>,3|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|F<1>,1|N<3>,2|C<3>,5|H<1>}	122.8973	0.590	6	122.9389	0.480	35	122.9389	0.480	35	121.7872	2.678	489	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]F)(N[6]C[6]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[6])(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]F)(N[6]C[6]2){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[6])(H){1|F<1>,3|C<3>,3|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|F<1>,1|N<4>,2|C<3>,5|H<1>}	122.9475	0.722	29	122.9389	0.480	35	122.9389	0.480	35	121.7872	2.678	489	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]Cl)(Cl)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(N[6]C[6]2){1|Cl<1>,1|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]Cl)(Cl){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|Cl<1>,1|N<3>,2|C<3>,5|H<1>}	119.4604	0.676	8	119.6050	0.465	12	119.5609	0.408	14	121.7872	2.678	489	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]Cl)(Cl)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(N[6]C[6]2){1|Cl<1>,1|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]Cl)(Cl){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|Cl<1>,1|N<4>,2|C<3>,5|H<1>}	119.8942	0.687	4	119.6050	0.465	12	119.5609	0.408	14	121.7872	2.678	489	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(Cl)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(Cl){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|Cl<1>,1|N<3>,2|C<3>,5|H<1>}	119.2965	0.132	2	119.2965	0.017	2	119.5609	0.408	14	121.7872	2.678	489	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6,6a]F)(C[6a]C[6a]F)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6,6a]H)(F)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6,6a]F)(C[6a]C[6a]F)(N[6]C[6]2){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6,6a]H)(F){1|F<1>,2|C<3>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<3>,2|C<3>,2|F<1>,4|H<1>}	119.9880	0.000	1	119.9880	0.000	1	121.0744	2.900	85	121.7872	2.678	489	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6,6a]F)(C[6a]C[6a]F)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6,6a]N)(F)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6,6a]F)(C[6a]C[6a]F)(N[6]C[6]2){1|C<3>,2|C<4>,2|N<3>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6,6a]N)(F){1|F<1>,2|C<3>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<3>,2|C<3>,2|C<4>,2|F<1>,2|H<1>}	124.0950	0.000	1	124.0950	0.000	1	121.0744	2.900	85	121.7872	2.678	489	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]F)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6,6a]H)(F)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]F)(N[6]C[6]2){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6,6a]H)(F){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|F<1>,1|N<3>,2|C<3>,5|H<1>}	120.4012	1.176	14	120.7777	2.039	22	121.0744	2.900	85	121.7872	2.678	489	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]F)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6,6a]H)(F)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]F)(N[6]C[6]2){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6,6a]H)(F){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|F<1>,1|N<4>,2|C<3>,5|H<1>}	121.9390	2.265	4	120.7777	2.039	22	121.0744	2.900	85	121.7872	2.678	489	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]F)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6,6a]H)(F)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]F)(N[6]C[6]2){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6,6a]H)(F){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|F<1>,1|S<2>,2|C<3>,5|H<1>}	120.9343	0.815	4	120.7777	2.039	22	121.0744	2.900	85	121.7872	2.678	489	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a,6a]F)(C[6a]C[6a]F)(N[6]C[6]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N[6])(F)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a,6a]F)(C[6a]C[6a]F)(N[6]C[6]2){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N[6])(F){1|F<1>,2|C<3>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<4>,1|N<4>,2|C<3>,2|F<1>,3|H<1>}	123.9770	0.000	1	121.7800	9.654	2	121.0744	2.900	85	121.7872	2.678	489	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a,6a]F)(C[6a]C[6a]F)(N[6]C[6]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N[6])(F)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a,6a]F)(C[6a]C[6a]F)(N[6]C[6]2){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N[6])(F){1|F<1>,2|C<3>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<4>,2|C<3>,2|F<1>,4|H<1>}	119.5830	0.000	1	121.7800	9.654	2	121.0744	2.900	85	121.7872	2.678	489	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a,6a]F)(C[6a]C[6a]F)(N[6]C[6]2)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]N[6])(F)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a,6a]F)(C[6a]C[6a]F)(N[6]C[6]2){1|C<3>,2|C<4>,2|N<3>,4|H<1>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]N[6])(F){1|F<1>,2|C<3>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<3>,2|C<3>,2|C<4>,2|F<1>,2|H<1>}	123.2300	0.710	3	123.5131	0.428	7	121.0744	2.900	85	121.7872	2.678	489	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a,6a]F)(C[6a]C[6a]F)(N[6]C[6]2)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]N[6])(F)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a,6a]F)(C[6a]C[6a]F)(N[6]C[6]2){1|C<3>,2|C<4>,2|N<3>,4|H<1>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]N[6])(F){1|F<1>,2|C<3>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<4>,2|C<3>,2|C<4>,2|F<1>,2|H<1>}	123.7255	0.616	4	123.5131	0.428	7	121.0744	2.900	85	121.7872	2.678	489	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]F)(N[6]C[6]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N[6])(F)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]F)(N[6]C[6]2){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N[6])(F){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|F<1>,1|N<3>,2|C<3>,5|H<1>}	120.8560	0.655	6	120.5571	0.858	35	121.0744	2.900	85	121.7872	2.678	489	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]F)(N[6]C[6]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N[6])(F)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]F)(N[6]C[6]2){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N[6])(F){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|F<1>,1|N<4>,2|C<3>,5|H<1>}	120.4952	0.970	29	120.5571	0.858	35	121.0744	2.900	85	121.7872	2.678	489	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(F)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(F){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<4>,1|F<1>,3|C<3>,4|H<1>}	124.6920	0.000	1	124.6920	0.000	1	121.0744	2.900	85	121.7872	2.678	489	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(F)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(F){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|F<1>,1|O<2>,2|C<3>,5|H<1>}	121.2910	0.000	1	120.1970	0.594	4	121.0744	2.900	85	121.7872	2.678	489	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(F)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(F){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|F<1>,1|N<3>,2|C<3>,5|H<1>}	119.8323	0.304	3	120.1970	0.594	4	121.0744	2.900	85	121.7872	2.678	489	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(F)	N[6](C[6a]C[6a]2)(C[6]C[6]HO)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(F){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HO)2{1|C<4>,1|F<1>,2|C<3>,5|H<1>}	120.8440	0.000	1	120.8440	0.000	1	121.0744	2.900	85	121.7872	2.678	489	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(F)	N[6](C[6a]C[6a]2)(C[6]N[6]HH)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,2|N<3>,6|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(F){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]N[6]HH)2{1|F<1>,1|H<1>,2|C<4>,3|C<3>}	119.8265	0.402	2	119.8265	0.162	2	121.0744	2.900	85	121.7872	2.678	489	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]Br)(F)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(N[6]C[6]2){1|Br<1>,1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]Br)(F){1|C<3>,1|F<1>,1|N<2>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|F<1>,1|N<2>,1|O<2>,2|C<3>,4|H<1>}	118.4000	0.000	1	118.4000	0.000	1	121.0744	2.900	85	121.7872	2.678	489	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]I)(F)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(N[6]C[6]2){1|C<3>,1|I<1>,1|N<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]I)(F){1|C<3>,1|F<1>,1|N<2>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|F<1>,1|N<2>,1|O<2>,2|C<3>,4|H<1>}	121.4827	1.710	4	121.4827	2.924	4	121.0744	2.900	85	121.7872	2.678	489	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]F)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]F)(F)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]F)2(N[6]C[6]2){1|C<3>,2|C<4>,2|F<1>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]F)(F){1|Pd<6>,1|C<3>,1|F<1>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<4>,2|C<3>,2|F<1>,4|H<1>}	122.9655	2.418	2	123.0433	13.936	4	121.0744	2.900	85	121.7872	2.678	489	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]F)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]F)(F)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]F)2(N[6]C[6]2){1|C<3>,2|C<4>,2|F<1>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]F)(F){1|Pt<6>,1|C<3>,1|F<1>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<4>,2|C<3>,2|F<1>,4|H<1>}	123.1210	5.995	2	123.0433	13.936	4	121.0744	2.900	85	121.7872	2.678	489	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[5,6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(N[6]C[6]2){2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[5,6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<4>,2|C<3>,6|H<1>}	122.3210	0.000	1	122.3210	0.000	1	121.7932	2.305	258	121.7872	2.678	489	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]N[6])(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,1|N<2>,2|C<4>,5|H<1>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]N[6])(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<3>,2|C<3>,6|H<1>}	117.9160	0.000	1	119.3765	3.339	4	121.7932	2.305	258	121.7872	2.678	489	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]N[6])(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]N[6])(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<3>,2|C<3>,6|H<1>}	121.9910	0.000	1	119.3765	3.339	4	121.7932	2.305	258	121.7872	2.678	489	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]N[6])(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]N[6])(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<3>,2|C<3>,6|H<1>}	118.3620	0.000	1	119.3765	3.339	4	121.7932	2.305	258	121.7872	2.678	489	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]N[6])(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]N[6])(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<4>,2|C<3>,6|H<1>}	119.2370	0.000	1	119.3765	3.339	4	121.7932	2.305	258	121.7872	2.678	489	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6,6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6,6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<4>,2|C<3>,6|H<1>}	121.3308	0.713	9	121.3308	0.508	9	121.7932	2.305	258	121.7872	2.678	489	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N[6])(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(N[6]C[6]2){2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N[6])(H){1|N<3>,2|C<3>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<3>,1|O<2>,2|C<3>,5|H<1>}	123.0200	0.000	1	123.0200	0.000	1	121.7932	2.305	258	121.7872	2.678	489	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a,6a]N[5])(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N[6])(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a,6a]N[5])(C[6a]C[6a]H)(N[6]C[6]2){3|C<3>,3|C<4>,5|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N[6])(H){1|N<3>,2|C<3>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<4>,1|N<3>,2|C<3>,5|H<1>}	120.7795	0.456	2	120.7795	0.208	2	121.7932	2.305	258	121.7872	2.678	489	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]CC)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,2|H<1>,6|C<4>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|H<1>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]CC)2{1|B<3>,1|C<4>,2|C<3>,5|H<1>}	120.7350	0.000	1	120.7350	0.000	1	121.7932	2.305	258	121.7872	2.678	489	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,2|C<4>,3|O<2>,5|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|H<1>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|B<3>,1|O<2>,2|C<3>,5|H<1>}	122.6540	0.000	1	122.6540	0.000	1	121.7932	2.305	258	121.7872	2.678	489	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]B[6])(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]B[6])(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,1|H<2>,1|N<4>,2|C<4>,7|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|H<1>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|B<4>,1|C<4>,2|C<3>,5|H<1>}	120.9860	0.307	2	120.9860	0.094	2	121.7932	2.305	258	121.7872	2.678	489	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]2)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]2)(H){1|C<2>,2|C<4>,4|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<2>,1|C<4>,2|C<3>,5|H<1>}	123.2010	0.000	1	123.2160	0.238	5	121.7932	2.305	258	121.7872	2.678	489	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]2)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2){2|C<3>,3|C<4>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]2)(H){1|C<2>,3|C<3>,3|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<2>,1|C<4>,2|C<3>,5|H<1>}	123.6180	0.000	1	123.2160	0.238	5	121.7932	2.305	258	121.7872	2.678	489	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]2)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2){2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]2)(H){1|C<2>,1|H<1>,2|C<4>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<2>,1|C<4>,2|C<3>,5|H<1>}	122.9535	0.795	2	123.2160	0.238	5	121.7932	2.305	258	121.7872	2.678	489	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]2)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2){2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]2)(H){1|C<2>,2|C<4>,4|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<2>,1|C<4>,2|C<3>,5|H<1>}	123.3540	0.000	1	123.2160	0.238	5	121.7932	2.305	258	121.7872	2.678	489	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]C)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2){1|C<2>,1|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]C)(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<3>,3|C<3>,5|H<1>}	121.1185	0.845	2	121.9873	2.622	3	121.7932	2.305	258	121.7872	2.678	489	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]C)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,1|N<3>,3|C<4>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]C)(H){1|C<2>,1|C<3>,1|H<1>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<2>,1|O<2>,2|C<3>,5|H<1>}	123.7250	0.000	1	121.9873	2.622	3	121.7932	2.305	258	121.7872	2.678	489	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<4>,1|N<3>,2|C<3>,5|H<1>}	122.1460	0.000	1	121.6859	0.872	12	121.7932	2.305	258	121.7872	2.678	489	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<4>,1|N<4>,2|C<3>,5|H<1>}	121.8610	0.000	1	121.6859	0.872	12	121.7932	2.305	258	121.7872	2.678	489	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<4>,1|O<2>,2|C<3>,5|H<1>}	120.5240	0.000	1	121.6859	0.872	12	121.7932	2.305	258	121.7872	2.678	489	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{2|C<3>,2|C<4>,5|H<1>}	123.0060	0.000	1	121.6859	0.872	12	121.7932	2.305	258	121.7872	2.678	489	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,3|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<4>,1|N<3>,2|C<3>,5|H<1>}	121.3010	1.164	2	121.6859	0.872	12	121.7932	2.305	258	121.7872	2.678	489	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,4|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<4>,1|N<3>,2|C<3>,5|H<1>}	122.1045	0.162	2	121.6859	0.872	12	121.7932	2.305	258	121.7872	2.678	489	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|O<2>,3|C<3>,5|H<1>}	120.0630	0.000	1	121.6859	0.872	12	121.7932	2.305	258	121.7872	2.678	489	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,3|C<4>,5|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<4>,1|N<4>,2|C<3>,5|H<1>}	121.2440	0.000	1	121.6859	0.872	12	121.7932	2.305	258	121.7872	2.678	489	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,3|C<4>,5|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|O<2>,3|C<3>,5|H<1>}	122.2880	0.822	2	121.6859	0.872	12	121.7932	2.305	258	121.7872	2.678	489	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]N[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2){1|N<2>,2|C<4>,6|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]N[6a]H)(H){2|C<3>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|O<2>,3|C<3>,5|H<1>}	122.0250	0.000	1	122.0250	0.000	1	121.7932	2.305	258	121.7872	2.678	489	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]O[6a])(C[6a]C[6a]N[6])(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]O[6a])(C[6a]C[6a]N[6])(H){1|C<2>,2|C<4>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<2>,1|N<3>,2|C<3>,5|H<1>}	119.1210	0.000	1	119.1210	0.000	1	121.7932	2.305	258	121.7872	2.678	489	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|H<1>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|Cl<1>,1|N<3>,2|C<3>,5|H<1>}	123.4465	0.186	2	123.0545	0.307	14	121.7932	2.305	258	121.7872	2.678	489	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(N[6]C[6]2){1|Cl<1>,1|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|H<1>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|Cl<1>,1|N<3>,2|C<3>,5|H<1>}	123.0920	0.448	8	123.0545	0.307	14	121.7932	2.305	258	121.7872	2.678	489	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(N[6]C[6]2){1|Cl<1>,1|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|H<1>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|Cl<1>,1|N<4>,2|C<3>,5|H<1>}	122.7835	0.803	4	123.0545	0.307	14	121.7932	2.305	258	121.7872	2.678	489	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,1|H<1>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|F<1>,1|N<3>,2|C<3>,5|H<1>}	124.3657	0.108	3	124.2420	0.069	4	121.7932	2.305	258	121.7872	2.678	489	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,1|N<3>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|F<1>,1|O<2>,2|C<3>,5|H<1>}	123.8710	0.000	1	124.2420	0.069	4	121.7932	2.305	258	121.7872	2.678	489	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HO)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,1|H<1>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HO)2{1|C<4>,1|F<1>,2|C<3>,5|H<1>}	123.4000	0.000	1	123.4000	0.000	1	121.7932	2.305	258	121.7872	2.678	489	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]N[6]HH)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,2|N<3>,6|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,1|H<1>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]N[6]HH)2{1|F<1>,1|H<1>,2|C<4>,3|C<3>}	124.0700	0.454	2	124.0700	0.206	2	121.7932	2.305	258	121.7872	2.678	489	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]C)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[6]C[6]2){1|C<3>,3|C<4>,5|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<3>,1|O<2>,2|C<3>,5|H<1>}	123.5240	0.000	1	123.5240	0.000	1	121.7932	2.305	258	121.7872	2.678	489	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|N<3>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<3>,1|O<2>,2|C<3>,5|H<1>}	123.7290	0.000	1	123.7290	0.000	1	121.7932	2.305	258	121.7872	2.678	489	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])2(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[6]C[6]2){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]N[6])2(H){1|Cl<1>,1|C<3>,1|N<3>,4|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<3>,1|O<2>,2|C<3>,5|H<1>}	121.0690	0.000	1	121.0690	0.000	1	121.7932	2.305	258	121.7872	2.678	489	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<3>,1|O<2>,2|C<3>,5|H<1>}	123.1105	0.732	8	123.1413	0.323	18	121.7932	2.305	258	121.7872	2.678	489	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<4>,1|O<2>,2|C<3>,5|H<1>}	123.1660	0.438	10	123.1413	0.323	18	121.7932	2.305	258	121.7872	2.678	489	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]O)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]O)(H){1|C<3>,1|N<3>,1|O<2>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{2|C<3>,2|O<2>,5|H<1>}	122.3320	0.000	1	122.3320	0.000	1	121.7932	2.305	258	121.7872	2.678	489	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<2>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<4>,1|S<2>,2|C<3>,5|H<1>}	122.8530	0.608	3	122.8530	0.369	3	121.7932	2.305	258	121.7872	2.678	489	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(N[6]C[6]2){1|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|N<2>,2|C<4>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<3>,1|N<2>,1|N<3>,6|H<1>}	122.8810	0.000	1	122.8810	0.000	1	121.7932	2.305	258	121.7872	2.678	489	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]N[6a]O)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(N[6]C[6]2){1|C<3>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]N[6a]O)(H){1|N<3>,1|O<1>,3|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<3>,1|N<3>,1|O<1>,1|O<2>,5|H<1>}	124.3980	0.000	1	124.3980	0.000	1	121.7932	2.305	258	121.7872	2.678	489	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]2)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]2)(H){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{2|C<3>,3|C<4>,4|H<1>}	117.9760	0.000	1	117.9760	0.000	1	121.7932	2.305	258	121.7872	2.678	489	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]C)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,3|C<4>,5|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]C)(H){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<3>,2|C<3>,6|H<1>}	121.8850	0.000	1	121.9555	0.010	2	121.7932	2.305	258	121.7872	2.678	489	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]C)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]C)(H){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{3|C<3>,5|H<1>}	122.0260	0.000	1	121.9555	0.010	2	121.7932	2.305	258	121.7872	2.678	489	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]Cl)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|Cl<1>,1|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]Cl)(H){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<4>,2|C<3>,6|H<1>}	121.1820	0.000	1	121.1820	0.000	1	121.7932	2.305	258	121.7872	2.678	489	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<3>,2|C<3>,6|H<1>}	120.5860	0.000	1	121.3944	1.828	132	121.7932	2.305	258	121.7872	2.678	489	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,1|S<2>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|O<2>,2|C<3>,6|H<1>}	121.0200	0.000	1	121.3944	1.828	132	121.7932	2.305	258	121.7872	2.678	489	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,1|H<1>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<3>,2|C<3>,6|H<1>}	121.2447	0.541	4	121.3944	1.828	132	121.7932	2.305	258	121.7872	2.678	489	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,1|H<1>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<4>,2|C<3>,6|H<1>}	120.8787	2.896	6	121.3944	1.828	132	121.7932	2.305	258	121.7872	2.678	489	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<3>,2|C<3>,6|H<1>}	121.1318	0.314	6	121.3944	1.828	132	121.7932	2.305	258	121.7872	2.678	489	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|O<2>,2|C<3>,6|H<1>}	121.6670	0.066	2	121.3944	1.828	132	121.7932	2.305	258	121.7872	2.678	489	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<4>,2|C<3>,6|H<1>}	121.2576	1.450	5	121.3944	1.828	132	121.7932	2.305	258	121.7872	2.678	489	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<3>,2|C<3>,6|H<1>}	121.3587	1.109	10	121.3944	1.828	132	121.7932	2.305	258	121.7872	2.678	489	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<3>,2|C<3>,6|H<1>}	121.5441	1.400	20	121.3944	1.828	132	121.7932	2.305	258	121.7872	2.678	489	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<4>,2|C<3>,6|H<1>}	121.4854	1.999	8	121.3944	1.828	132	121.7932	2.305	258	121.7872	2.678	489	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|O<2>,2|C<3>,6|H<1>}	121.3880	1.279	6	121.3944	1.828	132	121.7932	2.305	258	121.7872	2.678	489	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<3>,2|C<3>,6|H<1>}	121.2580	1.501	22	121.3944	1.828	132	121.7932	2.305	258	121.7872	2.678	489	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<3>,4|C<3>,4|H<1>}	121.7940	0.297	2	121.3944	1.828	132	121.7932	2.305	258	121.7872	2.678	489	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<4>,2|C<3>,6|H<1>}	121.0637	1.523	4	121.3944	1.828	132	121.7932	2.305	258	121.7872	2.678	489	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{3|C<3>,6|H<1>}	121.4650	0.000	1	121.3944	1.828	132	121.7932	2.305	258	121.7872	2.678	489	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|H<1>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<3>,2|C<3>,6|H<1>}	121.5340	0.564	2	121.3944	1.828	132	121.7932	2.305	258	121.7872	2.678	489	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<4>,2|C<3>,6|H<1>}	121.7516	0.798	12	121.3944	1.828	132	121.7932	2.305	258	121.7872	2.678	489	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<3>,2|C<3>,6|H<1>}	121.2861	1.643	10	121.3944	1.828	132	121.7932	2.305	258	121.7872	2.678	489	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|O<2>,2|C<3>,6|H<1>}	121.5108	0.644	6	121.3944	1.828	132	121.7932	2.305	258	121.7872	2.678	489	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,3|C<4>,5|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<3>,2|C<3>,6|H<1>}	121.3090	0.000	1	121.3944	1.828	132	121.7932	2.305	258	121.7872	2.678	489	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{3|C<3>,5|H<1>}	121.6660	0.000	1	121.3944	1.828	132	121.7932	2.305	258	121.7872	2.678	489	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|Cl<1>,1|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<4>,2|C<3>,6|H<1>}	120.8730	0.000	1	121.3944	1.828	132	121.7932	2.305	258	121.7872	2.678	489	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{2|C<3>,3|C<4>,4|H<1>}	124.2710	0.000	1	121.3944	1.828	132	121.7932	2.305	258	121.7872	2.678	489	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]N[6]HH)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,2|N<3>,6|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]N[6]HH)2{1|C<4>,2|H<1>,4|C<3>}	121.0435	1.482	4	121.0783	3.122	20	121.7932	2.305	258	121.7872	2.678	489	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]N[6]HH)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,2|N<3>,6|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,1|H<1>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]N[6]HH)2{2|C<4>,2|H<1>,3|C<3>}	120.9213	2.088	4	121.0783	3.122	20	121.7932	2.305	258	121.7872	2.678	489	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]N[6]HH)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,2|N<3>,6|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]N[6]HH)2{1|C<4>,2|H<1>,4|C<3>}	120.9330	0.341	2	121.0783	3.122	20	121.7932	2.305	258	121.7872	2.678	489	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]N[6]HH)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,2|N<3>,6|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]N[6]HH)2{1|C<4>,2|H<1>,4|C<3>}	121.3550	2.197	4	121.0783	3.122	20	121.7932	2.305	258	121.7872	2.678	489	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]N[6]HH)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,2|N<3>,6|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|H<1>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]N[6]HH)2{1|C<4>,3|C<3>,3|H<1>}	120.7755	3.234	2	121.0783	3.122	20	121.7932	2.305	258	121.7872	2.678	489	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]N[6]HH)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,2|N<3>,6|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|H<1>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]N[6]HH)2{2|C<4>,2|H<1>,3|C<3>}	121.2175	2.151	4	121.0783	3.122	20	121.7932	2.305	258	121.7872	2.678	489	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]N)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<3>,2|C<3>,6|H<1>}	122.0180	0.000	1	122.0180	0.000	1	121.7932	2.305	258	121.7872	2.678	489	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]S)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,1|S<2>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]S)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|O<2>,2|C<3>,6|H<1>}	121.2050	0.000	1	121.2050	0.000	1	121.7932	2.305	258	121.7872	2.678	489	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])2(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,1|N<3>,4|C<4>,5|H<1>}	C[6a](C[6a]C[6a]N[6])2(H){1|C<3>,2|N<3>,4|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<4>,1|N<3>,2|C<3>,5|H<1>}	124.0617	0.636	3	123.4713	2.521	9	121.7932	2.305	258	121.7872	2.678	489	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])2(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,1|N<3>,4|C<4>,5|H<1>}	C[6a](C[6a]C[6a]N[6])2(H){1|C<3>,2|N<3>,4|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<3>,1|O<2>,2|C<3>,5|H<1>}	123.1762	1.886	6	123.4713	2.521	9	121.7932	2.305	258	121.7872	2.678	489	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	N[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(N[6]C[6]2)	C[6a](N[6a]C[6a]N[6a])(C[6a]C[6a]N[6])(O)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(N[6]C[6]2){1|C<3>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	C[6a](N[6a]C[6a]N[6a])(C[6a]C[6a]N[6])(O){1|H<1>,3|C<3>,3|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<3>,1|N<3>,1|O<1>,1|O<2>,5|H<1>}	116.6620	0.000	1	116.6620	0.000	1	116.6620	0.000	1	121.7872	2.678	489	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:N[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(N[6]C[6]2)	C[6a](C[6a]N[6a]N[6])(C[6a]N[6a]O)(H)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(N[6]C[6]2){1|N<3>,2|C<4>,2|O<1>,4|H<1>}	C[6a](C[6a]N[6a]N[6])(C[6a]N[6a]O)(H){1|C<3>,4|C<4>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	124.9100	0.861	3	124.9100	0.742	3	124.9100	0.742	3	121.7872	2.678	489	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:2:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	B[6,6a]-4:C[6a]-3:N[6]-2:	C[6a](N[6]B[6,6a]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](B[6,6a]N[5a,6a]N[6,6a]N[6])(C[6a]C[6a]2)(N[6]C[6])	C[6a](N[6]B[6,6a]N[6])(C[6a]C[6a]H)2{2|C<3>,2|H<1>,3|N<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|N<2>,2|H<1>}	N[6](B[6,6a]N[5a,6a]N[6,6a]N[6])(C[6a]C[6a]2)(N[6]C[6]){1|N<2>,2|B<3>,2|H<1>,6|C<3>}	120.1723	1.122	4	120.1723	1.259	4	120.1723	1.259	4	120.3713	2.012	72	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:2:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	B[6]-4:C[6a]-3:N[6]-2:	C[6a](N[6]B[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](B[6]C[6a]2N[6])(C[6a]C[6a]2)(N[6]C[6])	C[6a](N[6]B[6]N[6])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|H<1>,1|N<2>,1|O<2>}	N[6](B[6]C[6a]2N[6])(C[6a]C[6a]2)(N[6]C[6]){3|H<1>,8|C<3>}	120.4317	0.701	4	120.9702	1.007	6	120.4841	0.581	16	120.3713	2.012	72	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:2:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	B[6]-4:C[6a]-3:N[6]-2:	C[6a](N[6]B[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](B[6]C[6a]2N[6])(C[6a]C[6a]2)(N[6]C[6])	C[6a](N[6]B[6]N[6])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|N<2>,2|H<1>}	N[6](B[6]C[6a]2N[6])(C[6a]C[6a]2)(N[6]C[6]){1|N<3>,2|H<1>,8|C<3>}	122.0470	0.286	2	120.9702	1.007	6	120.4841	0.581	16	120.3713	2.012	72	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:2:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	B[6]-4:C[6a]-3:N[6]-2:	C[6a](N[6]B[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](B[6]N[6,6]FF)(C[6a]C[6a]2)(N[6]C[6])	C[6a](N[6]B[6]N[6])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|F<1>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|N<2>,2|H<1>}	N[6](B[6]N[6,6]FF)(C[6a]C[6a]2)(N[6]C[6]){1|C<2>,2|H<1>,4|C<3>}	120.0948	0.111	4	120.1925	0.156	10	120.4841	0.581	16	120.3713	2.012	72	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:2:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	B[6]-4:C[6a]-3:N[6]-2:	C[6a](N[6]B[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](B[6]N[6,6]FF)(C[6a]C[6a]2)(N[6]C[6])	C[6a](N[6]B[6]N[6])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|F<1>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|N<2>,2|H<1>}	N[6](B[6]N[6,6]FF)(C[6a]C[6a]2)(N[6]C[6]){1|C<4>,2|H<1>,4|C<3>}	120.7490	0.539	2	120.1925	0.156	10	120.4841	0.581	16	120.3713	2.012	72	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:2:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	B[6]-4:C[6a]-3:N[6]-2:	C[6a](N[6]B[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](B[6]N[6,6]FF)(C[6a]C[6a]2)(N[6]C[6])	C[6a](N[6]B[6]N[6])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|F<1>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|N<2>,2|H<1>}	N[6](B[6]N[6,6]FF)(C[6a]C[6a]2)(N[6]C[6]){2|H<1>,5|C<3>}	120.0120	0.312	4	120.1925	0.156	10	120.4841	0.581	16	120.3713	2.012	72	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:2:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:C[6]-2:	C[6a](N[6]C[5,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[5,6]C[5,5,6]C[5]H)(C[6a]C[6a]2)(C[6]N[6])	C[6a](N[6]C[5,6]C[6])(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|C<4>,2|H<1>}	N[6](C[5,6]C[5,5,6]C[5]H)(C[6a]C[6a]2)(C[6]N[6]){3|C<3>,4|C<4>,4|H<1>}	120.4552	0.233	4	120.4552	0.054	4	120.4552	0.054	4	120.3713	2.012	72	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:2:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:N[6]-2:	C[6a](N[6]C[5,6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(N[6]C[6,6])	C[6a](N[6]C[5,6]N[6])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|N<2>}	N[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(N[6]C[6,6]){2|C<4>,4|C<3>,5|H<1>}	120.8860	1.970	2	120.8860	3.881	2	120.4470	1.588	8	120.3713	2.012	72	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:2:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:N[6]-2:	C[6a](N[6]C[5,6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(N[6]C[6,6])	C[6a](N[6]C[5,6]N[6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(N[6]C[6,6]){1|C<4>,1|N<3>,1|O<1>,3|H<1>,6|C<3>}	120.2597	0.506	4	120.3007	1.344	6	120.4470	1.588	8	120.3713	2.012	72	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:2:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:N[6]-2:	C[6a](N[6]C[5,6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(N[6]C[6,6])	C[6a](N[6]C[5,6]N[6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(N[6]C[6,6]){1|N<3>,1|O<1>,2|C<4>,3|H<1>,5|C<3>}	120.3825	2.436	2	120.3007	1.344	6	120.4470	1.588	8	120.3713	2.012	72	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:2:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:O[6]-2:	C[6a](N[6]C[5,6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(O[6]C[6])	C[6a](N[6]C[5,6]O[6])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(O[6]C[6]){1|C<4>,1|N<3>,1|O<1>,3|H<1>,7|C<3>}	120.0055	4.091	2	119.6917	12.358	4	119.6917	12.358	4	120.3713	2.012	72	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:2:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:O[6]-2:	C[6a](N[6]C[5,6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(O[6]C[6])	C[6a](N[6]C[5,6]O[6])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(O[6]C[6]){1|C<4>,1|N<3>,1|O<1>,4|H<1>,6|C<3>}	119.3780	4.466	2	119.6917	12.358	4	119.6917	12.358	4	120.3713	2.012	72	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:2:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6]-4:C[6a]-3:N[6]-2:	C[6a](N[6]C[6,6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6]N[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6])	C[6a](N[6]C[6,6]N[6])(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	N[6](C[6,6]N[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]){1|C<4>,1|N<2>,3|H<1>,4|C<3>}	120.2089	0.859	8	120.3235	0.676	12	120.3235	0.676	12	120.3713	2.012	72	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:2:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6]-4:C[6a]-3:N[6]-2:	C[6a](N[6]C[6,6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6]N[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6])	C[6a](N[6]C[6,6]N[6])(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	N[6](C[6,6]N[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]){1|C<4>,1|N<2>,3|H<1>,4|C<3>}	120.5528	0.808	4	120.3235	0.676	12	120.3235	0.676	12	120.3713	2.012	72	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:2:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6]-4:C[6a]-3:O[6]-2:	C[6a](N[6]C[6,6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6,6])	C[6a](N[6]C[6,6]O[6])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	N[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6,6]){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	120.5735	2.734	2	120.5735	7.477	2	120.5735	7.477	2	120.3713	2.012	72	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:2:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:N[6]-2:	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(N[6]C[6])	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(N[6]C[6]){1|C<4>,4|C<3>,5|H<1>}	120.9590	0.594	2	120.5561	0.576	10	120.5561	0.576	10	120.3713	2.012	72	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:2:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:N[6]-2:	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(N[6]C[6])	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(N[6]C[6]){1|C<4>,4|H<1>,5|C<3>}	120.7893	0.348	4	120.5561	0.576	10	120.5561	0.576	10	120.3713	2.012	72	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:2:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:N[6]-2:	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(N[6]C[6])	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(N[6]C[6]){1|N<3>,4|H<1>,5|C<3>}	120.3990	0.660	2	120.5561	0.576	10	120.5561	0.576	10	120.3713	2.012	72	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:2:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:N[6]-2:	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(N[6]C[6])	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(N[6]C[6]){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	119.8440	1.558	2	120.5561	0.576	10	120.5561	0.576	10	120.3713	2.012	72	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:2:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:O[6]-2:	C[6a](N[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[5a,6]CH)(C[6a]C[6a]2)(O[6]C[6])	C[6a](N[6]C[6]O[6])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	N[6](C[6]C[5a,6]CH)(C[6a]C[6a]2)(O[6]C[6]){2|C<4>,2|H<1>,4|C<3>}	120.4240	3.009	2	120.4240	9.057	2	120.3244	6.499	10	120.3713	2.012	72	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:2:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:O[6]-2:	C[6a](N[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]C[6])	C[6a](N[6]C[6]O[6])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	N[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]C[6]){1|C<4>,3|C<3>,4|H<1>}	120.4455	0.218	2	120.4455	0.048	2	120.3244	6.499	10	120.3713	2.012	72	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:2:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:O[6]-2:	C[6a](N[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6])	C[6a](N[6]C[6]O[6])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6]){1|O<2>,3|H<1>,6|C<3>}	120.1910	5.747	2	120.2508	9.862	6	120.3244	6.499	10	120.3713	2.012	72	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:2:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:O[6]-2:	C[6a](N[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6])	C[6a](N[6]C[6]O[6])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6]){1|C<4>,1|N<3>,3|H<1>,6|C<3>}	120.1710	3.841	2	120.2508	9.862	6	120.3244	6.499	10	120.3713	2.012	72	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:2:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:O[6]-2:	C[6a](N[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6])	C[6a](N[6]C[6]O[6])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6]){1|C<4>,1|N<3>,4|H<1>,5|C<3>}	120.3905	1.210	2	120.2508	9.862	6	120.3244	6.499	10	120.3713	2.012	72	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:2:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	P[6]-4:C[6a]-3:O[6]-2:	C[6a](N[6]O[6]P[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](P[6]C[6a]2C[6])(C[6a]C[6a]2)(O[6]B[6])	C[6a](N[6]O[6]P[6])(C[6a]C[6a]H)2{1|B<4>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,1|P<4>,2|H<1>}	N[6](P[6]C[6a]2C[6])(C[6a]C[6a]2)(O[6]B[6]){1|C<4>,4|H<1>,8|C<3>}	120.1490	0.738	2	120.1490	0.545	2	120.1490	0.545	2	120.3713	2.012	72	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:	C[6a](C[6,6a]C[6,6a]C[6])(N[6]C[5,6]C[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[5,6]C[5]C[6]O[5])(C[6a]C[6,6a]C[6a])(C[6]C[5,6]O)	C[6a](C[6,6a]C[6,6a]C[6])(N[6]C[5,6]C[6])(C[6a]C[6a]H){1|H<1>,1|O<1>,2|O<2>,3|C<3>,4|C<4>}	C[6a](C[6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[5,6]C[5]C[6]O[5])(C[6a]C[6,6a]C[6a])(C[6]C[5,6]O){1|N<3>,1|O<1>,3|C<3>,3|C<4>,3|H<1>}	114.9530	0.960	2	114.9530	0.922	2	114.9530	0.922	2	120.0123	1.609	343	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]N[6])(H)	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]O)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(N[6]C[6]2){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]N[6])(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]O){1|N<4>,5|C<3>,5|H<1>}	118.9540	0.000	1	118.9540	0.000	1	118.9540	0.000	1	120.0123	1.609	343	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]N[6])(H)	N[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]O[6]O)	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]H)(N[6]C[6]2){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]N[6])(H){2|C<4>,2|H<1>,4|C<3>}	N[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]O[6]O){2|H<1>,4|C<3>}	117.4988	0.963	12	117.4988	0.928	12	117.4988	0.928	12	120.0123	1.609	343	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6]-4:C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(Cl)	N[6](C[6]C[6,6a]CH)(C[6]C[6a]C[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(N[6]C[6]2){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(Cl){1|C<4>,1|F<1>,1|H<1>,2|C<3>}	N[6](C[6]C[6,6a]CH)(C[6]C[6a]C[6])(C[6a]C[6a]2){1|Cl<1>,2|H<1>,6|C<3>}	120.9700	0.000	1	120.9700	0.000	1	120.9700	0.000	1	120.0123	1.609	343	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6]-4:C[6,6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6,6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6]C[3x6]N[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[6]C[6,6]2){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	N[6](C[6,6]C[3x6]N[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2){1|N<3>,3|C<3>,4|H<1>,5|C<4>}	120.0240	0.816	2	120.0240	0.666	2	120.2045	0.377	8	120.0123	1.609	343	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6]-4:C[6,6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6,6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6]C[6,6]N[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[6]C[6,6]2){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6,6]C[6,6]N[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2){3|C<4>,4|C<3>,6|H<1>}	120.3000	0.444	2	120.3000	0.197	2	120.2045	0.377	8	120.0123	1.609	343	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6]-4:C[6,6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6,6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[6]C[6,6]2){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2){1|C<2>,3|C<4>,4|C<3>,4|H<1>}	120.2360	0.731	2	120.2470	0.562	4	120.2045	0.377	8	120.0123	1.609	343	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6]-4:C[6,6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6,6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[6]C[6,6]2){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2){1|Br<1>,3|C<4>,4|C<3>,5|H<1>}	120.2580	1.073	2	120.2470	0.562	4	120.2045	0.377	8	120.0123	1.609	343	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6,6a]CH)(C[6]C[6a]C[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(N[6]C[6]2){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|F<1>,2|C<3>}	N[6](C[6]C[6,6a]CH)(C[6]C[6a]C[6])(C[6a]C[6a]2){1|Cl<1>,2|H<1>,6|C<3>}	121.3680	0.000	1	121.3680	0.000	1	120.2216	0.693	55	120.0123	1.609	343	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[5,6,6]HH)(C[6]C[5,6,6]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	N[6](C[6]C[5,6,6]HH)(C[6]C[5,6,6]O)(C[6a]C[6a]2){1|Br<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	120.0840	0.075	2	119.8620	0.993	4	120.2216	0.693	55	120.0123	1.609	343	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[5,6,6]HH)(C[6]C[5,6,6]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6]C[5,6,6]HH)(C[6]C[5,6,6]O)(C[6a]C[6a]2){2|C<3>,2|C<4>,2|O<2>,3|H<1>}	119.6400	1.666	2	119.8620	0.993	4	120.2216	0.693	55	120.0123	1.609	343	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[5a]C[6]H)(C[6]C[5a,6]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6]C[5a]C[6]H)(C[6]C[5a,6]O)(C[6a]C[6a]2){1|N<3>,3|H<1>,6|C<3>}	119.8350	1.713	2	119.8350	2.933	2	120.2216	0.693	55	120.0123	1.609	343	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[5a]N[6]H)(C[6]C[6,6a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6]C[5a]N[6]H)(C[6]C[6,6a]O)(C[6a]C[6a]2){1|O<2>,3|H<1>,5|C<3>}	120.2510	1.592	2	120.2510	2.536	2	120.2216	0.693	55	120.0123	1.609	343	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6,6a]CH)(C[6]C[6a]N[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<2>,1|N<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6]C[6,6a]CH)(C[6]C[6a]N[6])(C[6a]C[6a]2){2|H<1>,6|C<3>}	120.2950	0.247	4	120.3232	0.082	6	120.2216	0.693	55	120.0123	1.609	343	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6,6a]CH)(C[6]C[6a]N[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6]C[6,6a]CH)(C[6]C[6a]N[6])(C[6a]C[6a]2){2|H<1>,6|C<3>}	120.3795	0.466	2	120.3232	0.082	6	120.2216	0.693	55	120.0123	1.609	343	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6,6a]C[5a]H)(C[6]C[6a]C[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	N[6](C[6]C[6,6a]C[5a]H)(C[6]C[6a]C[6])(C[6a]C[6a]2){3|H<1>,8|C<3>}	121.3785	0.269	2	121.3785	0.073	2	120.2216	0.693	55	120.0123	1.609	343	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6,6a]C[5a]H)(C[6]C[6a]N[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|N<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6]C[6,6a]C[5a]H)(C[6]C[6a]N[6])(C[6a]C[6a]2){2|H<1>,8|C<3>}	120.3330	0.677	2	120.3330	0.459	2	120.2216	0.693	55	120.0123	1.609	343	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6,6a]HN)(C[6]C[6a]N[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|N<2>,1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6]C[6,6a]HN)(C[6]C[6a]N[6])(C[6a]C[6a]2){2|H<1>,6|C<3>}	120.4460	0.201	4	120.4460	0.041	4	120.2216	0.693	55	120.0123	1.609	343	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[5,6]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[5,6]O)(C[6a]C[6a]2){2|H<1>,3|C<4>,5|C<3>}	120.2050	1.341	2	120.6007	1.057	6	120.2216	0.693	55	120.0123	1.609	343	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[5,6]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6]C[5,6]O)(C[6a]C[6a]2){1|C<4>,4|H<1>,5|C<3>}	121.0955	1.580	2	120.6007	1.057	6	120.2216	0.693	55	120.0123	1.609	343	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[5,6]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[5,6]O)(C[6a]C[6a]2){1|C<4>,2|H<1>,6|C<3>}	120.5015	0.407	2	120.6007	1.057	6	120.2216	0.693	55	120.0123	1.609	343	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]O)(C[6a]C[6a]2){1|N<3>,3|H<1>,6|C<3>}	120.0960	0.851	2	119.9232	0.468	4	120.2216	0.693	55	120.0123	1.609	343	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]O)(C[6a]C[6a]2){1|N<3>,3|H<1>,6|C<3>}	119.7505	0.747	2	119.9232	0.468	4	120.2216	0.693	55	120.0123	1.609	343	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6]O)(C[6a]C[6a]2){2|C<4>,4|H<1>,5|C<3>}	120.0295	2.145	2	120.0295	4.600	2	120.2216	0.693	55	120.0123	1.609	343	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O)(C[6a]C[6a]2){1|F<1>,2|H<1>,7|C<3>}	119.8060	1.346	2	119.8060	1.813	2	120.2216	0.693	55	120.0123	1.609	343	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6a]S[6]H)(C[6]C[6,6a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|O<1>,1|S<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	N[6](C[6]C[6a]S[6]H)(C[6]C[6,6a]O)(C[6a]C[6a]2){2|H<1>,6|C<3>}	120.3185	1.725	2	120.0603	0.447	18	120.2216	0.693	55	120.0123	1.609	343	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6a]S[6]H)(C[6]C[6,6a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|O<1>,1|S<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6]C[6a]S[6]H)(C[6]C[6,6a]O)(C[6a]C[6a]2){2|H<1>,6|C<3>}	120.0391	0.572	10	120.0603	0.447	18	120.2216	0.693	55	120.0123	1.609	343	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6a]S[6]H)(C[6]C[6,6a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|O<1>,1|S<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6]C[6a]S[6]H)(C[6]C[6,6a]O)(C[6a]C[6a]2){2|H<1>,6|C<3>}	120.2742	0.220	4	120.0603	0.447	18	120.2216	0.693	55	120.0123	1.609	343	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6a]S[6]H)(C[6]C[6,6a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|O<1>,1|S<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6]C[6a]S[6]H)(C[6]C[6,6a]O)(C[6a]C[6a]2){1|O<1>,2|H<1>,6|C<3>}	119.4805	0.739	2	120.0603	0.447	18	120.2216	0.693	55	120.0123	1.609	343	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[5,6a]H)(H)	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]O)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(N[6]C[6]2){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[5,6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]O){1|N<4>,5|C<3>,5|H<1>}	119.2230	0.000	1	119.2230	0.000	1	120.1734	1.180	158	120.0123	1.609	343	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]N[6])(H)	N[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]O[6]O)	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]H)(N[6]C[6]2){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]N[6])(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]O[6]O){2|H<1>,4|C<3>}	121.3213	0.833	12	121.3213	0.694	12	120.1734	1.180	158	120.0123	1.609	343	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	119.8450	0.000	1	119.8450	0.000	1	120.1734	1.180	158	120.0123	1.609	343	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(C[6]C[6]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	N[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(C[6]C[6]O){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	120.6950	0.000	1	120.6950	0.000	1	120.1734	1.180	158	120.0123	1.609	343	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6]O[6]C)(C[6a]C[6a]2)(C[6]C[6]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(N[6]C[6]2){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	N[6](C[6]C[6]O[6]C)(C[6a]C[6a]2)(C[6]C[6]O){1|H<1>,1|S<2>,6|C<3>}	120.8310	0.000	1	120.8310	0.000	1	120.1734	1.180	158	120.0123	1.609	343	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[5,6]CH)(C[6a]C[6a]2)(C[6]C[6]O)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6]C[5,6]CH)(C[6a]C[6a]2)(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	120.0040	1.001	2	120.0040	1.003	2	120.1734	1.180	158	120.0123	1.609	343	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]O)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	N[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]O){3|C<3>,3|C<4>,3|H<1>}	120.3220	0.559	2	120.3220	0.312	2	120.1734	1.180	158	120.0123	1.609	343	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[5]C[6]H)(C[6a]C[6a]2)(C[6]N[6]O)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6]C[5]C[6]H)(C[6a]C[6a]2)(C[6]N[6]O){1|Fe<10>,3|C<3>,3|C<4>,4|H<1>}	120.7313	0.984	6	120.7313	0.967	6	120.1734	1.180	158	120.0123	1.609	343	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[5a,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6]C[5a,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]C){1|N<3>,2|H<1>,6|C<3>}	120.7155	0.781	4	120.7155	0.611	4	120.1734	1.180	158	120.0123	1.609	343	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[5a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6]C[5a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]C){1|O<2>,4|H<1>,5|C<3>}	120.0175	0.842	2	120.0175	0.709	2	120.1734	1.180	158	120.0123	1.609	343	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6,6]CH)(C[6a]C[6a]2)(C[6]C[6]O)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	N[6](C[6]C[6,6]CH)(C[6a]C[6a]2)(C[6]C[6]O){2|C<3>,3|C<4>,4|H<1>}	119.8705	0.745	2	119.8705	0.554	2	120.1734	1.180	158	120.0123	1.609	343	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]O)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,1|H<1>,2|C<3>}	N[6](C[6]C[6,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]O){1|N<3>,5|C<3>,5|H<1>}	119.6608	0.334	4	119.7195	0.163	6	120.1734	1.180	158	120.0123	1.609	343	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]O)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6]C[6,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]O){1|N<3>,5|C<3>,5|H<1>}	119.8370	0.665	2	119.7195	0.163	6	120.1734	1.180	158	120.0123	1.609	343	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]O)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]O){2|C<4>,2|H<1>,2|O<2>,3|C<3>}	120.0080	0.142	4	120.0152	0.013	6	120.1734	1.180	158	120.0123	1.609	343	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]O)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]O){2|O<2>,3|C<3>,4|H<1>}	120.0295	0.037	2	120.0152	0.013	6	120.1734	1.180	158	120.0123	1.609	343	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]N[6]O)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|I<1>,2|C<3>}	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]N[6]O){3|H<1>,4|C<3>}	120.7782	1.698	4	120.7782	2.883	4	120.1734	1.180	158	120.0123	1.609	343	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]N[6]S)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<4>,1|N<3>,1|S<1>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]N[6]S){3|H<1>,4|C<3>}	119.6648	1.149	6	119.6648	1.321	6	120.1734	1.180	158	120.0123	1.609	343	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]O[6]O)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,1|H<1>,2|C<3>}	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]O[6]O){2|H<1>,4|C<3>}	119.9385	0.688	2	119.9385	0.473	2	120.1734	1.180	158	120.0123	1.609	343	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6,6a]CO)(C[6a]C[6a]2)(C[6]N[6]O)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6]C[6,6a]CO)(C[6a]C[6a]2)(C[6]N[6]O){3|H<1>,4|C<3>}	120.0980	1.283	4	120.0980	1.646	4	120.1734	1.180	158	120.0123	1.609	343	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6,6a]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6]C[6,6a]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H){3|H<1>,6|C<3>}	116.5730	4.367	2	116.5730	19.071	2	120.1734	1.180	158	120.0123	1.609	343	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6,6a]C[5a]H)(C[6a]C[6a]2)(C[6]O[6]O)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	N[6](C[6]C[6,6a]C[5a]H)(C[6a]C[6a]2)(C[6]O[6]O){1|N<2>,1|N<3>,2|H<1>,4|C<3>}	119.9420	1.271	4	119.7960	1.638	6	120.1734	1.180	158	120.0123	1.609	343	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6,6a]C[5a]H)(C[6a]C[6a]2)(C[6]O[6]O)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6]C[6,6a]C[5a]H)(C[6a]C[6a]2)(C[6]O[6]O){1|N<2>,1|N<3>,2|H<1>,4|C<3>}	119.5040	1.758	2	119.7960	1.638	6	120.1734	1.180	158	120.0123	1.609	343	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]N[6]H)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|N<2>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]N[6]H){2|H<1>,6|C<3>}	120.1615	0.917	2	120.1615	0.841	2	120.1734	1.180	158	120.0123	1.609	343	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]C[6]N)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]C[6]N){4|C<3>,4|H<1>}	119.8305	1.269	2	119.8305	1.611	2	120.1734	1.180	158	120.0123	1.609	343	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]C[6]O)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]C[6]O){1|C<4>,3|H<1>,4|C<3>}	119.7730	0.415	4	119.7730	0.172	4	120.1734	1.180	158	120.0123	1.609	343	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]N[6]H)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|N<2>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]N[6]H){2|H<1>,4|C<3>}	120.7555	1.304	4	120.8990	1.054	8	120.1734	1.180	158	120.0123	1.609	343	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]N[6]H)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|N<2>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	N[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]N[6]H){2|H<1>,4|C<3>}	120.9745	1.158	2	120.8990	1.054	8	120.1734	1.180	158	120.0123	1.609	343	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]N[6]H)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|N<2>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]N[6]H){2|H<1>,4|C<3>}	121.1105	0.870	2	120.8990	1.054	8	120.1734	1.180	158	120.0123	1.609	343	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]N[6]O)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	N[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]N[6]O){3|H<1>,4|C<3>}	120.1210	0.445	2	120.2075	0.149	4	120.1734	1.180	158	120.0123	1.609	343	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]N[6]O)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]N[6]O){3|H<1>,4|C<3>}	120.2940	0.468	2	120.2075	0.149	4	120.1734	1.180	158	120.0123	1.609	343	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6a]2C[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6]C[6a]2C[6])(C[6a]C[6a]2)(C[6]C[6]H){3|H<1>,8|C<3>}	120.5465	2.175	4	120.5465	4.733	4	120.1734	1.180	158	120.0123	1.609	343	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6a]C[6]C)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[6](C[6]C[6a]C[6]C)(C[6a]C[6a]2)(C[6]C[6]H){4|H<1>,6|C<3>}	119.9360	0.115	2	119.9360	0.013	2	120.1734	1.180	158	120.0123	1.609	343	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]O)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]O){4|H<1>,6|C<3>}	120.1995	1.436	4	119.8655	0.903	16	120.1734	1.180	158	120.0123	1.609	343	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]O)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,1|H<1>,2|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]O){1|N<3>,5|C<3>,5|H<1>}	119.6510	1.102	2	119.8655	0.903	16	120.1734	1.180	158	120.0123	1.609	343	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]O)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]O){1|C<4>,5|C<3>,5|H<1>}	119.9730	0.506	2	119.8655	0.903	16	120.1734	1.180	158	120.0123	1.609	343	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]O)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]O){1|C<4>,5|C<3>,5|H<1>}	119.5710	0.629	4	119.8655	0.903	16	120.1734	1.180	158	120.0123	1.609	343	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]O)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]O){1|C<4>,5|C<3>,5|H<1>}	119.7415	1.672	2	119.8655	0.903	16	120.1734	1.180	158	120.0123	1.609	343	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]O)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]O){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	120.0175	0.961	2	119.8655	0.903	16	120.1734	1.180	158	120.0123	1.609	343	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]N[6]O)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]N[6]O){3|H<1>,6|C<3>}	119.8435	1.111	2	119.8435	1.234	2	120.1734	1.180	158	120.0123	1.609	343	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]S[6]N)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<4>,1|N<2>,1|S<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]S[6]N){4|H<1>,5|C<3>}	119.6760	0.443	2	119.6760	0.196	2	120.1734	1.180	158	120.0123	1.609	343	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(C[6]C[6]C){3|H<1>,5|C<3>}	120.3905	0.848	2	120.2220	0.576	28	120.1734	1.180	158	120.0123	1.609	343	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|N<3>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	N[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(C[6]C[6]C){1|C<4>,2|H<1>,6|C<3>}	120.1920	2.061	2	120.2220	0.576	28	120.1734	1.180	158	120.0123	1.609	343	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|N<3>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(C[6]C[6]C){1|C<4>,2|H<1>,6|C<3>}	120.2245	0.559	22	120.2220	0.576	28	120.1734	1.180	158	120.0123	1.609	343	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|N<3>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(C[6]C[6]C){1|C<4>,2|H<1>,6|C<3>}	120.0565	1.975	2	120.2220	0.576	28	120.1734	1.180	158	120.0123	1.609	343	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6a]S[6]H)(C[6a]C[6a]2)(C[6]C[6]O)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<4>,1|O<1>,1|S<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[6](C[6]C[6a]S[6]H)(C[6a]C[6a]2)(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	120.2420	0.191	2	119.9508	0.238	14	120.1734	1.180	158	120.0123	1.609	343	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6a]S[6]H)(C[6a]C[6a]2)(C[6]C[6]O)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<4>,1|O<1>,1|S<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6]C[6a]S[6]H)(C[6a]C[6a]2)(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	119.8485	0.360	6	119.9508	0.238	14	120.1734	1.180	158	120.0123	1.609	343	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6a]S[6]H)(C[6a]C[6a]2)(C[6]C[6]O)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<4>,1|O<1>,1|S<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6]C[6a]S[6]H)(C[6a]C[6a]2)(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	119.8365	0.754	4	119.9508	0.238	14	120.1734	1.180	158	120.0123	1.609	343	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6a]S[6]H)(C[6a]C[6a]2)(C[6]C[6]O)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<4>,1|O<1>,1|S<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6]C[6a]S[6]H)(C[6a]C[6a]2)(C[6]C[6]O){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	120.1950	0.549	2	119.9508	0.238	14	120.1734	1.180	158	120.0123	1.609	343	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	B[6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]B[6]C[6])(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]F)(F)	N[6](B[6]N[6]Br2)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]B[6]C[6])(C[6a]C[6a]F)2{2|Br<1>,1|C<4>,1|N<3>,2|C<3>,2|F<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]F)(F){1|B<4>,2|C<3>,2|F<1>}	N[6](B[6]N[6]Br2)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|F<1>,4|C<3>}	121.4875	0.327	2	121.4875	0.107	2	121.3942	0.132	4	120.0123	1.609	343	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	B[6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]B[6]C[6])(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]F)(F)	N[6](B[6]N[6]Cl2)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]B[6]C[6])(C[6a]C[6a]F)2{2|Cl<1>,1|C<4>,1|N<3>,2|C<3>,2|F<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]F)(F){1|B<4>,2|C<3>,2|F<1>}	N[6](B[6]N[6]Cl2)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|F<1>,4|C<3>}	121.3010	0.505	2	121.3010	0.255	2	121.3942	0.132	4	120.0123	1.609	343	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	B[5,6]-4:C[6]-3:C[6a]-3:	C[6a](N[6]B[5,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](B[5,6]C[5,6a]2O[6])(C[6]C[6,6a]H)(C[6a]C[6a]2)	C[6a](N[6]B[5,6]C[6])(C[6a]C[6a]H)2{1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|B<4>,2|C<3>,2|H<1>}	N[6](B[5,6]C[5,6a]2O[6])(C[6]C[6,6a]H)(C[6a]C[6a]2){2|H<1>,8|C<3>}	119.8922	1.481	6	119.8922	2.194	6	119.8922	2.194	6	120.0123	1.609	343	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	B[5a,6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]B[5a,6]C[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](B[5a,6]N[5a,6]O[5a]O)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]B[5a,6]C[6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|N<3>,2|C<3>,2|H<1>,2|O<2>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|O<2>,2|C<3>}	N[6](B[5a,6]N[5a,6]O[5a]O)(C[6a]C[6a]2)(C[6]C[6]C){1|O<2>,2|H<1>,5|C<3>}	119.7745	1.115	2	119.7745	1.243	2	119.7745	1.243	2	120.0123	1.609	343	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	B[6]-4:C[6]-3:C[6a]-3:	C[6a](N[6]B[6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](B[6]C[6a]2N[6])(C[6]C[6a]N[6])(C[6a]C[6a]2)	C[6a](N[6]B[6]C[6])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|B<4>,1|C<4>,1|H<1>,2|C<3>}	N[6](B[6]C[6a]2N[6])(C[6]C[6a]N[6])(C[6a]C[6a]2){10|C<3>,2|H<1>}	120.5365	0.618	10	120.4917	0.575	12	120.3465	0.840	24	120.0123	1.609	343	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	B[6]-4:C[6]-3:C[6a]-3:	C[6a](N[6]B[6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](B[6]C[6a]2N[6])(C[6]C[6a]N[6])(C[6a]C[6a]2)	C[6a](N[6]B[6]C[6])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|B<4>,1|C<4>,1|H<1>,2|C<3>}	N[6](B[6]C[6a]2N[6])(C[6]C[6a]N[6])(C[6a]C[6a]2){3|H<1>,9|C<3>}	120.2675	1.665	2	120.4917	0.575	12	120.3465	0.840	24	120.0123	1.609	343	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	B[6]-4:C[6]-3:C[6a]-3:	C[6a](N[6]B[6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](B[6]C[6a]2O[6])(C[6]C[6,6a]H)(C[6a]C[6a]2)	C[6a](N[6]B[6]C[6])(C[6a]C[6a]H)2{1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|N<3>,2|C<3>}	N[6](B[6]C[6a]2O[6])(C[6]C[6,6a]H)(C[6a]C[6a]2){2|H<1>,8|C<3>}	120.4257	1.540	4	120.0443	1.069	10	120.3465	0.840	24	120.0123	1.609	343	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	B[6]-4:C[6]-3:C[6a]-3:	C[6a](N[6]B[6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](B[6]C[6a]2O[6])(C[6]C[6,6a]H)(C[6a]C[6a]2)	C[6a](N[6]B[6]C[6])(C[6a]C[6a]H)2{1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|O<2>,2|C<3>}	N[6](B[6]C[6a]2O[6])(C[6]C[6,6a]H)(C[6a]C[6a]2){2|H<1>,8|C<3>}	120.4640	0.238	2	120.0443	1.069	10	120.3465	0.840	24	120.0123	1.609	343	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	B[6]-4:C[6]-3:C[6a]-3:	C[6a](N[6]B[6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](B[6]C[6a]2O[6])(C[6]C[6,6a]H)(C[6a]C[6a]2)	C[6a](N[6]B[6]C[6])(C[6a]C[6a]H)2{1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|B<4>,2|C<3>,2|H<1>}	N[6](B[6]C[6a]2O[6])(C[6]C[6,6a]H)(C[6a]C[6a]2){2|H<1>,8|C<3>}	119.4530	0.199	4	120.0443	1.069	10	120.3465	0.840	24	120.0123	1.609	343	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	B[6]-4:C[6]-3:C[6a]-3:	C[6a](N[6]B[6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](B[6]N[6,6]C[6a]2)(C[6]C[6a]C[6])(C[6a]C[6a]2)	C[6a](N[6]B[6]C[6])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|B<4>,2|C<3>,2|H<1>}	N[6](B[6]N[6,6]C[6a]2)(C[6]C[6a]C[6])(C[6a]C[6a]2){11|C<3>,2|H<1>}	120.9860	1.172	2	120.9860	1.374	2	120.3465	0.840	24	120.0123	1.609	343	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	B[6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]B[6]C[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](B[6]C[6a]2O[6])(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]B[6]C[6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|B<4>,2|C<3>,2|O<2>}	N[6](B[6]C[6a]2O[6])(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,1|N<2>,1|O<2>,7|C<3>}	120.6510	0.000	1	120.6510	0.000	1	119.9735	0.728	19	120.0123	1.609	343	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	B[6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]B[6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](B[6]C[6a]2N[6])(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]B[6]C[6])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|B<4>,2|C<3>,2|H<1>}	N[6](B[6]C[6a]2N[6])(C[6a]C[6a]2)(C[6]C[6]C){2|H<1>,9|C<3>}	120.1990	2.710	2	120.1990	7.342	2	119.9735	0.728	19	120.0123	1.609	343	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	B[6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]B[6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](B[6]C[6a]2O[6])(C[6a]C[6a]2)(C[6]N[6]O)	C[6a](N[6]B[6]C[6])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|N<3>,2|C<3>}	N[6](B[6]C[6a]2O[6])(C[6a]C[6a]2)(C[6]N[6]O){1|C<4>,2|H<1>,7|C<3>}	119.8685	0.339	2	119.9030	0.341	16	119.9735	0.728	19	120.0123	1.609	343	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	B[6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]B[6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](B[6]C[6a]2O[6])(C[6a]C[6a]2)(C[6]N[6]O)	C[6a](N[6]B[6]C[6])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|O<2>,2|C<3>}	N[6](B[6]C[6a]2O[6])(C[6a]C[6a]2)(C[6]N[6]O){1|C<4>,2|H<1>,7|C<3>}	120.1628	0.749	4	119.9030	0.341	16	119.9735	0.728	19	120.0123	1.609	343	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	B[6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]B[6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](B[6]C[6a]2O[6])(C[6a]C[6a]2)(C[6]N[6]O)	C[6a](N[6]B[6]C[6])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|B<4>,2|C<3>,2|H<1>}	N[6](B[6]C[6a]2O[6])(C[6a]C[6a]2)(C[6]N[6]O){2|H<1>,8|C<3>}	119.6870	0.393	2	119.9030	0.341	16	119.9735	0.728	19	120.0123	1.609	343	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	B[6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]B[6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](B[6]C[6a]2O[6])(C[6a]C[6a]2)(C[6]N[6]O)	C[6a](N[6]B[6]C[6])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|Br<1>,1|B<4>,1|H<1>,2|C<3>}	N[6](B[6]C[6a]2O[6])(C[6a]C[6a]2)(C[6]N[6]O){1|C<4>,2|H<1>,7|C<3>}	119.8610	0.802	4	119.9030	0.341	16	119.9735	0.728	19	120.0123	1.609	343	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	B[6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]B[6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](B[6]C[6a]2O[6])(C[6a]C[6a]2)(C[6]N[6]O)	C[6a](N[6]B[6]C[6])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|B<4>,1|H<1>,2|C<3>}	N[6](B[6]C[6a]2O[6])(C[6a]C[6a]2)(C[6]N[6]O){1|C<4>,2|H<1>,7|C<3>}	119.8105	0.525	4	119.9030	0.341	16	119.9735	0.728	19	120.0123	1.609	343	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[3x6]-4:C[6,6]-3:C[6a]-3:	C[6a](N[6]C[3x6]C[6,6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[3x6]C[5x6]N[6,6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)	C[6a](N[6]C[3x6]C[6,6])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[3x6]C[5x6]N[6,6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2){1|N<3>,3|C<3>,4|H<1>,5|C<4>}	120.1813	1.586	4	120.1813	2.516	4	120.1813	2.516	4	120.0123	1.609	343	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[6]-3:C[6a]-3:	C[6a](N[6]C[5,6]C[6])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[5,6]C[5]C[6]O[5])(C[6]C[5,6]O)(C[6a]C[6a]2)	C[6a](N[6]C[5,6]C[6])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[5,6]C[5]C[6]O[5])(C[6]C[5,6]O)(C[6a]C[6a]2){1|N<3>,1|O<1>,3|C<3>,3|C<4>,3|H<1>}	115.0390	0.396	3	115.0390	0.157	3	116.2673	6.139	4	120.0123	1.609	343	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[6]-3:C[6a]-3:	C[6a](N[6]C[5,6]C[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[5,6]C[5]2N[6])(C[6]C[6,6a]O)(C[6a]C[6a]2)	C[6a](N[6]C[5,6]C[6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	N[6](C[5,6]C[5]2N[6])(C[6]C[6,6a]O)(C[6a]C[6a]2){1|O<2>,2|H<1>,2|O<1>,6|C<3>}	119.9520	0.000	1	119.9520	0.000	1	116.2673	6.139	4	120.0123	1.609	343	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]C[5,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[5,6]C[3x5,6]N[5,6]C)(C[6a]C[6a]2)(C[6]N[6]O)	C[6a](N[6]C[5,6]C[6])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[5,6]C[3x5,6]N[5,6]C)(C[6a]C[6a]2)(C[6]N[6]O){1|O<2>,2|C<4>,2|H<1>,5|C<3>}	119.9465	1.305	2	119.9465	1.702	2	120.0367	1.317	20	120.0123	1.609	343	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]C[5,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[5,6]C[5,5,6]C[5]H)(C[6a]C[6a]2)(C[6]N[6]B)	C[6a](N[6]C[5,6]C[6])(C[6a]C[6a]H)2{1|B<4>,1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[5,6]C[5,5,6]C[5]H)(C[6a]C[6a]2)(C[6]N[6]B){3|C<3>,4|C<4>,4|H<1>}	119.6813	0.841	4	119.6813	0.707	4	120.0367	1.317	20	120.0123	1.609	343	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]C[5,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[5,6]C[5,5,6]C[5]H)(C[6a]C[6a]2)(C[6]N[6]Rh)	C[6a](N[6]C[5,6]C[6])(C[6a]C[6a]H)2{1|Rh<6>,1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[5,6]C[5,5,6]C[5]H)(C[6a]C[6a]2)(C[6]N[6]Rh){3|C<3>,4|C<4>,4|H<1>}	120.1725	0.851	4	120.1725	0.724	4	120.0367	1.317	20	120.0123	1.609	343	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]C[5,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[5,6]C[5,6]C[6a]N[5])(C[6a]C[6a]2)(C[6]N[6]O)	C[6a](N[6]C[5,6]C[6])(C[6a]C[6a]H)2{1|O<1>,2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[5,6]C[5,6]C[6a]N[5])(C[6a]C[6a]2)(C[6]N[6]O){2|H<1>,9|C<3>}	119.5790	2.862	2	119.7640	4.265	4	120.0367	1.317	20	120.0123	1.609	343	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]C[5,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[5,6]C[5,6]C[6a]N[5])(C[6a]C[6a]2)(C[6]N[6]O)	C[6a](N[6]C[5,6]C[6])(C[6a]C[6a]H)2{1|O<1>,2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[5,6]C[5,6]C[6a]N[5])(C[6a]C[6a]2)(C[6]N[6]O){2|H<1>,9|C<3>}	119.9490	2.113	2	119.7640	4.265	4	120.0367	1.317	20	120.0123	1.609	343	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]C[5,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]C[5,6]C[6])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]C){1|N<3>,1|O<1>,2|H<1>,7|C<3>}	120.2495	1.259	2	120.2495	1.586	2	120.0367	1.317	20	120.0123	1.609	343	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]C[5,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]O)	C[6a](N[6]C[5,6]C[6])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	N[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]O){1|N<2>,1|O<2>,2|C<4>,4|C<3>,4|H<1>}	120.3130	0.747	2	120.4677	0.976	4	120.0367	1.317	20	120.0123	1.609	343	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]C[5,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]O)	C[6a](N[6]C[5,6]C[6])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]O){1|N<2>,1|O<2>,2|C<4>,4|C<3>,4|H<1>}	120.6225	1.508	2	120.4677	0.976	4	120.0367	1.317	20	120.0123	1.609	343	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]C[6,6]C[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6]C[5,6,6]C[6]H)(C[6a]C[6a]2)(C[6]O[6]O)	C[6a](N[6]C[6,6]C[6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	N[6](C[6,6]C[5,6,6]C[6]H)(C[6a]C[6a]2)(C[6]O[6]O){2|C<4>,2|O<2>,3|C<3>,3|H<1>}	120.5860	0.000	1	120.5860	0.000	1	120.6166	0.404	5	120.0123	1.609	343	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]C[6,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](N[6]C[6,6]C[6])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	N[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,2|O<2>,3|H<1>,4|C<3>}	121.0200	0.243	2	121.0200	0.059	2	120.6166	0.404	5	120.0123	1.609	343	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]C[6,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]N[6]O)	C[6a](N[6]C[6,6]C[6])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]N[6]O){1|S<4>,2|C<4>,3|H<1>,4|C<3>}	120.2285	0.964	2	120.2285	0.929	2	120.6166	0.404	5	120.0123	1.609	343	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	Ga[4,6]-4:C[6]-3:C[6a]-3:	C[6a](N[6]Ga[4,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](Ga[4,6]N[4,6,6]N[4,6]C)(C[6]N[4,6]C[6a])(C[6a]C[6a]2)	C[6a](N[6]Ga[4,6]C[6])(C[6a]C[6a]H)2{1|C<4>,1|N<4>,2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|Ga<4>,2|C<3>,2|H<1>}	N[6](Ga[4,6]N[4,6,6]N[4,6]C)(C[6]N[4,6]C[6a])(C[6a]C[6a]2){3|Ga<4>,2|H<1>,6|C<3>}	120.1290	0.574	2	120.1290	0.330	2	120.1290	0.330	2	120.0123	1.609	343	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	Ga[4x6]-4:C[6]-3:C[6a]-3:	C[6a](N[6]Ga[4x6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](Ga[4x6]N[3x6]N[6,6]2)(C[6]C[6a]N[6])(C[6a]C[6a]2)	C[6a](N[6]Ga[4x6]C[6])(C[6a]C[6a]H)2{2|C<3>,2|H<1>,4|N<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|Ga<4>,2|C<3>,2|H<1>}	N[6](Ga[4x6]N[3x6]N[6,6]2)(C[6]C[6a]N[6])(C[6a]C[6a]2){3|Ga<4>,3|H<1>,7|C<3>}	120.3010	0.791	2	120.3010	0.625	2	120.3010	0.625	2	120.0123	1.609	343	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	Ga[6,6]-4:C[6]-3:C[6a]-3:	C[6a](N[6]Ga[6,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](Ga[6,6]N[3x6]N[6]C)(C[6]N[6,6]C[6a])(C[6a]C[6a]2)	C[6a](N[6]Ga[6,6]C[6])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|H<1>,3|N<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|Ga<4>,2|C<3>,2|H<1>}	N[6](Ga[6,6]N[3x6]N[6]C)(C[6]N[6,6]C[6a])(C[6a]C[6a]2){2|Ga<4>,3|H<1>,6|C<3>}	120.4395	0.472	2	120.4395	0.222	2	120.4395	0.222	2	120.0123	1.609	343	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	Ge[6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](Ge[6]C[6]CN)(C[6a]C[6a]2)(C[6]S[6]N)	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]H)2{1|C<2>,1|S<2>,2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|Ge<4>,2|C<3>,2|H<1>}	N[6](Ge[6]C[6]CN)(C[6a]C[6a]2)(C[6]S[6]N){1|Ga<4>,2|H<1>,3|C<3>}	120.1980	1.844	2	120.1980	3.401	2	119.8800	0.960	6	120.0123	1.609	343	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	Ge[6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](Ge[6]N[6]ClW)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]H)2{1|Cl<1>,1|C<4>,1|N<3>,1|W<6>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|Ge<4>,2|C<3>,2|H<1>}	N[6](Ge[6]N[6]ClW)(C[6a]C[6a]2)(C[6]C[6]C){3|H<1>,4|C<3>}	119.7210	0.604	4	119.7210	0.365	4	119.8800	0.960	6	120.0123	1.609	343	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	In[6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]In[6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](In[6]N[6]II)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]In[6]C[6])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>,2|I<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|In<4>,2|C<3>,2|H<1>}	N[6](In[6]N[6]II)(C[6a]C[6a]2)(C[6]C[6]C){3|H<1>,4|C<3>}	120.3083	1.158	4	120.3083	1.340	4	120.3083	1.340	4	120.0123	1.609	343	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	P[6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]C[6]P[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](P[6]O[6]ClO)(C[6a]C[6a]2)(C[6]C[6]O)	C[6a](N[6]C[6]P[6])(C[6a]C[6a]H)2{1|Cl<1>,1|O<2>,2|C<3>,2|H<1>,2|O<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|P<4>,2|C<3>,2|H<1>}	N[6](P[6]O[6]ClO)(C[6a]C[6a]2)(C[6]C[6]O){1|C<4>,2|H<1>,3|C<3>}	119.5115	0.551	2	119.5115	0.303	2	119.5115	0.303	2	120.0123	1.609	343	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:F-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]F)(F)	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(N[6]C[6]2){1|C<4>,1|F<1>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]F)(F){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH){1|F<1>,3|H<1>,6|C<3>}	118.6220	0.000	1	118.6220	0.000	1	119.0190	0.315	2	121.2475	3.917	93	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:F-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(F)	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(N[6]C[6]2){1|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(F){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH){1|F<1>,3|H<1>,6|C<3>}	119.4160	0.000	1	119.4160	0.000	1	119.0190	0.315	2	121.2475	3.917	93	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2){2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,1|N<4>,4|C<3>,5|H<1>}	122.5750	0.000	1	122.5750	0.000	1	121.3280	3.935	83	121.2475	3.917	93	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(N[6]C[6]2){1|C<4>,1|F<1>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,1|H<1>,2|C<4>}	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH){1|F<1>,3|H<1>,6|C<3>}	124.2650	0.000	1	124.2845	0.001	2	121.3280	3.935	83	121.2475	3.917	93	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(N[6]C[6]2){1|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,1|H<1>,2|C<4>}	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH){1|F<1>,3|H<1>,6|C<3>}	124.3040	0.000	1	124.2845	0.001	2	121.3280	3.935	83	121.2475	3.917	93	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(N[6]C[6]2){1|C<2>,1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|I<1>,2|C<4>}	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]HH){1|I<1>,3|H<1>,4|C<3>}	122.5660	0.000	1	122.5660	0.000	1	121.3280	3.935	83	121.2475	3.917	93	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])2(H)	N[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[6]C[6]2){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]N[6])2(H){1|C<3>,1|H<1>,1|N<3>,4|C<4>}	N[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]C[6]HH){1|N<3>,3|H<1>,4|C<3>}	120.5810	0.000	1	120.5810	0.000	1	121.3280	3.935	83	121.2475	3.917	93	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2){2|C<3>,3|C<4>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CH){2|O<2>,3|H<1>,6|C<3>}	125.3430	0.000	2	125.3430	0.000	2	121.3280	3.935	83	121.2475	3.917	93	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2){2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH){2|O<2>,3|H<1>,6|C<3>}	122.1640	0.000	2	122.1640	0.000	2	121.3280	3.935	83	121.2475	3.917	93	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]F)(H)	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<4>,1|F<1>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]F)(H){1|C<3>,1|F<1>,1|H<1>,2|C<4>}	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH){4|H<1>,6|C<3>}	120.6350	0.000	1	120.8944	0.182	11	121.3280	3.935	83	121.2475	3.917	93	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]F)(H)	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<4>,2|F<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]F)(H){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH){4|H<1>,6|C<3>}	120.9203	0.440	10	120.8944	0.182	11	121.3280	3.935	83	121.2475	3.917	93	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[3,6]CH)(C[6a]C[6a]2)(C[6]C[6]CH)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6]C[3,6]CH)(C[6a]C[6a]2)(C[6]C[6]CH){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	121.2600	0.550	2	121.2600	0.303	2	121.3280	3.935	83	121.2475	3.917	93	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	N[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	121.3790	2.304	2	121.3790	5.307	2	121.3280	3.935	83	121.2475	3.917	93	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[5a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CH)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6]C[5a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CH){1|C<4>,4|C<3>,6|H<1>}	120.7740	4.253	2	120.7740	18.084	2	121.3280	3.935	83	121.2475	3.917	93	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]N[6]CH)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]N[6]CH){2|H<1>,5|C<3>}	121.0665	4.748	2	121.0665	22.546	2	121.3280	3.935	83	121.2475	3.917	93	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]N[6]HH)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,1|H<1>,2|C<4>}	N[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]N[6]HH){2|C<4>,2|H<1>,4|C<3>}	121.0290	2.287	2	121.2395	4.424	6	121.3280	3.935	83	121.2475	3.917	93	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]N[6]HH)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	N[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]N[6]HH){2|C<4>,2|H<1>,4|C<3>}	121.3335	2.688	2	121.2395	4.424	6	121.3280	3.935	83	121.2475	3.917	93	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]N[6]HH)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|N<3>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	N[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]N[6]HH){1|C<4>,2|H<1>,4|C<3>}	121.3560	3.087	2	121.2395	4.424	6	121.3280	3.935	83	121.2475	3.917	93	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<2>,1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|I<1>,2|C<4>}	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]HH){4|C<3>,4|H<1>}	120.9370	2.568	2	121.1753	3.262	12	121.3280	3.935	83	121.2475	3.917	93	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<2>,1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]HH){4|C<3>,4|H<1>}	120.6245	2.652	2	121.1753	3.262	12	121.3280	3.935	83	121.2475	3.917	93	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]HH){4|C<3>,4|H<1>}	121.3727	2.058	6	121.1753	3.262	12	121.3280	3.935	83	121.2475	3.917	93	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|H<1>,2|C<4>}	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]HH){4|C<3>,4|H<1>}	121.3725	0.192	2	121.1753	3.262	12	121.3280	3.935	83	121.2475	3.917	93	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]O[6]CH)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|O<2>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]O[6]CH){2|H<1>,4|C<3>}	120.4685	4.245	2	120.4685	18.018	2	121.3280	3.935	83	121.2475	3.917	93	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6,6a]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	N[6](C[6]C[6,6a]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,1|O<2>,4|H<1>,5|C<3>}	121.4360	1.469	2	121.4525	1.831	4	121.3280	3.935	83	121.2475	3.917	93	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6,6a]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6]C[6,6a]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH){1|O<2>,4|H<1>,6|C<3>}	121.4690	1.826	2	121.4525	1.831	4	121.3280	3.935	83	121.2475	3.917	93	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH){1|N<3>,5|C<3>,5|H<1>}	121.7390	2.311	2	121.7390	5.340	2	121.3280	3.935	83	121.2475	3.917	93	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<4>,1|F<1>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,1|H<1>,2|C<4>}	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH){4|H<1>,6|C<3>}	121.7570	0.000	1	121.0872	3.266	9	121.3280	3.935	83	121.2475	3.917	93	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,1|H<1>,2|C<4>}	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH){4|H<1>,6|C<3>}	121.4240	2.466	4	121.0872	3.266	9	121.3280	3.935	83	121.2475	3.917	93	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH){4|H<1>,6|C<3>}	120.5830	1.410	4	121.0872	3.266	9	121.3280	3.935	83	121.2475	3.917	93	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	N[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]C[6]HH){1|O<2>,2|H<1>,5|C<3>}	121.2140	2.630	2	121.2140	6.919	2	121.3280	3.935	83	121.2475	3.917	93	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]O[6]HH)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|O<2>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	N[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]O[6]HH){2|H<1>,4|C<3>}	121.3762	2.284	4	121.3762	5.217	4	121.3280	3.935	83	121.2475	3.917	93	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,2|O<2>,4|C<3>,4|H<1>}	121.2045	1.334	2	121.2045	1.780	2	121.3280	3.935	83	121.2475	3.917	93	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|N<3>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	N[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(C[6]C[6]HH){2|H<1>,7|C<3>}	121.1645	3.915	2	120.8523	6.746	12	121.3280	3.935	83	121.2475	3.917	93	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|N<3>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(C[6]C[6]HH){2|H<1>,7|C<3>}	120.7898	2.553	10	120.8523	6.746	12	121.3280	3.935	83	121.2475	3.917	93	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:I-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(I)	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(N[6]C[6]2){1|C<2>,1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(I){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]HH){1|I<1>,3|H<1>,4|C<3>}	120.1680	0.000	1	120.1680	0.000	1	120.1680	0.000	1	121.2475	3.917	93	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:4:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[3,6]-4:C[6a]-3:C[6]-4:	C[6a](N[6]C[3,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[3,6]C[3,6]C[3]H)(C[6a]C[6a]2)(C[6]N[6]CC)	C[6a](N[6]C[3,6]C[6])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,3|C<4>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|H<1>,2|C<4>}	N[6](C[3,6]C[3,6]C[3]H)(C[6a]C[6a]2)(C[6]N[6]CC){1|C<4>,3|H<1>,4|C<3>}	121.1465	4.455	2	121.1465	19.851	2	121.1465	19.851	2	121.2475	3.917	93	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:4:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6]-4:C[6a]-3:C[6]-4:	C[6a](N[6]C[6,6]C[6])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6]C[6,6]O[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6a](N[6]C[6,6]C[6])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	N[6](C[6,6]C[6,6]O[6]H)(C[6a]C[6a]2)(C[6]C[6]HH){3|C<3>,3|C<4>,4|H<1>}	122.1250	0.000	1	122.1250	0.000	1	121.7257	0.137	3	121.2475	3.917	93	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:4:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6]-4:C[6a]-3:C[6]-4:	C[6a](N[6]C[6,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6]C[6]3)(C[6a]C[6a]2)(C[6]C[6]CH)	C[6a](N[6]C[6,6]C[6])(C[6a]C[6a]H)2{2|C<3>,3|H<1>,4|C<4>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6,6]C[6]3)(C[6a]C[6a]2)(C[6]C[6]CH){1|N<3>,2|C<4>,3|C<3>,8|H<1>}	121.5260	0.185	2	121.5260	0.034	2	121.7257	0.137	3	121.2475	3.917	93	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:4:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:P[6]-4:	C[6a](N[6]C[6]P[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]Cl)(H)	N[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(P[6]O[6]OO)	C[6a](N[6]C[6]P[6])(C[6a]C[6a]H)2{1|Cl<1>,1|O<1>,2|C<3>,2|O<2>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]Cl)(H){1|C<3>,1|C<4>,1|F<1>,1|H<1>,1|P<4>}	N[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(P[6]O[6]OO){2|H<1>,4|C<3>}	119.0460	0.000	1	119.0460	0.000	1	120.0590	2.052	2	121.2475	3.917	93	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:4:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:P[6]-4:	C[6a](N[6]C[6]P[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(P[6]O[6]OO)	C[6a](N[6]C[6]P[6])(C[6a]C[6a]H)2{1|Cl<1>,1|O<1>,2|C<3>,2|O<2>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|F<1>,1|H<1>,1|P<4>}	N[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(P[6]O[6]OO){2|H<1>,4|C<3>}	121.0720	0.000	1	121.0720	0.000	1	120.0590	2.052	2	121.2475	3.917	93	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:4:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6]-4:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6]H)(C[6a]C[6a]2){1|O<2>,2|H<1>,9|C<3>}	120.3150	0.000	1	120.3150	0.000	1	121.3223	0.975	36	121.3376	1.604	48	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:4:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6]-4:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6a]C[6]H)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<2>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	N[6](C[6]C[6a]C[6]H)2(C[6a]C[6a]2){2|H<1>,8|C<3>}	122.0865	0.214	2	121.4658	0.448	30	121.3223	0.975	36	121.3376	1.604	48	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:4:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6]-4:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6a]C[6]H)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,1|H<1>,2|C<4>}	N[6](C[6]C[6a]C[6]H)2(C[6a]C[6a]2){4|H<1>,8|C<3>}	121.5930	1.260	2	121.4658	0.448	30	121.3223	0.975	36	121.3376	1.604	48	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:4:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6]-4:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6a]C[6]H)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	N[6](C[6]C[6a]C[6]H)2(C[6a]C[6a]2){4|H<1>,8|C<3>}	122.0178	0.538	4	121.4658	0.448	30	121.3223	0.975	36	121.3376	1.604	48	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:4:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6]-4:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6a]C[6]H)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6]C[6a]C[6]H)2(C[6a]C[6a]2){4|H<1>,8|C<3>}	121.4805	0.442	14	121.4658	0.448	30	121.3223	0.975	36	121.3376	1.604	48	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:4:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6]-4:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6a]C[6]H)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6]C[6a]C[6]H)2(C[6a]C[6a]2){2|C<4>,5|H<1>,6|C<3>}	120.9772	0.759	8	121.4658	0.448	30	121.3223	0.975	36	121.3376	1.604	48	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:4:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6]-4:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]N[5,6]HH)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,2|N<3>,6|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	N[6](C[6]N[5,6]HH)2(C[6a]C[6a]2){1|C<4>,2|H<1>,4|C<3>}	121.1022	2.116	4	121.1022	4.478	4	121.3223	0.975	36	121.3376	1.604	48	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:4:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6]-4:C[6a]-3:	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]N[6,6]HH)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,2|C<4>,2|N<3>,6|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	N[6](C[6]N[6,6]HH)2(C[6a]C[6a]2){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	118.9030	0.000	1	118.9030	0.000	1	121.3223	0.975	36	121.3376	1.604	48	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:4:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	B[6]-4:P[6]-4:C[6a]-3:	C[6a](N[6]B[6]P[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](B[6]C[6a]2N[6])(P[6]C[6a]2C[6])(C[6a]C[6a]2)	C[6a](N[6]B[6]P[6])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|P<4>,2|H<1>}	N[6](B[6]C[6a]2N[6])(P[6]C[6a]2C[6])(C[6a]C[6a]2){11|C<3>,1|P<3>,3|H<1>}	120.6985	0.593	2	120.4108	0.291	6	120.4108	0.291	6	121.3376	1.604	48	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:4:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	B[6]-4:P[6]-4:C[6a]-3:	C[6a](N[6]B[6]P[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](B[6]C[6a]2N[6])(P[6]C[6a]2C[6])(C[6a]C[6a]2)	C[6a](N[6]B[6]P[6])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|P<4>,2|H<1>}	N[6](B[6]C[6a]2N[6])(P[6]C[6a]2C[6])(C[6a]C[6a]2){12|C<3>,1|P<4>,2|H<1>}	120.2670	0.534	4	120.4108	0.291	6	120.4108	0.291	6	121.3376	1.604	48	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:4:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[6]-4:C[6a]-3:	C[6a](N[6]C[5,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[5,6]C[5]C[6]N[5])(C[6]C[6,6a]HH)(C[6a]C[6a]2)	C[6a](N[6]C[5,6]C[6])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	N[6](C[5,6]C[5]C[6]N[5])(C[6]C[6,6a]HH)(C[6a]C[6a]2){1|N<2>,1|O<1>,3|H<1>,7|C<3>}	121.2025	0.303	2	121.2025	0.092	2	121.2025	0.092	2	121.3376	1.604	48	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:4:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	P[6]-4:C[6]-4:C[6a]-3:	C[6a](N[6]C[6]P[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](P[6]C[6a]O[6]S)(C[6]C[6,6a]HH)(C[6a]C[6a]2)	C[6a](N[6]C[6]P[6])(C[6a]C[6a]H)2{1|O<2>,1|S<1>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|P<4>}	N[6](P[6]C[6a]O[6]S)(C[6]C[6,6a]HH)(C[6a]C[6a]2){2|H<1>,6|C<3>}	120.5615	1.303	2	120.5615	1.698	2	120.5615	1.698	2	121.3376	1.604	48	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:4:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	Si[6]-4:C[6]-4:C[6a]-3:	C[6a](N[6]Si[6]C[6])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](Si[6]C[6a]O[6]O)(C[6]C[6,6a]CH)(C[6a]C[6a]2)	C[6a](N[6]Si[6]C[6])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<2>,2|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|Si<4>,1|C<3>,1|C<4>,1|H<1>,1|N<2>}	N[6](Si[6]C[6a]O[6]O)(C[6]C[6,6a]CH)(C[6a]C[6a]2){1|H<1>,1|N<2>,6|C<3>}	125.0520	0.000	1	125.3055	0.129	2	125.3055	0.129	2	121.3376	1.604	48	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:4:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	Si[6]-4:C[6]-4:C[6a]-3:	C[6a](N[6]Si[6]C[6])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](Si[6]C[6a]O[6]O)(C[6]C[6,6a]CH)(C[6a]C[6a]2)	C[6a](N[6]Si[6]C[6])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,2|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|Si<4>,1|C<3>,1|C<4>,1|H<1>,1|N<2>}	N[6](Si[6]C[6a]O[6]O)(C[6]C[6,6a]CH)(C[6a]C[6a]2){1|H<1>,1|N<2>,6|C<3>}	125.5590	0.000	1	125.3055	0.129	2	125.3055	0.129	2	121.3376	1.604	48	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	5:4:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	Nb[3x6]-5:C[6]-4:C[6a]-3:	C[6a](N[6]Nb[3x6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]C)(H)	N[6](Nb[3x6]P[3x6]N[6]2N)(C[6]C[6,6a]HH)(C[6a]C[6a]2)	C[6a](N[6]Nb[3x6]C[6])(C[6a]C[6a]H)2{1|N<2>,1|P<4>,2|C<3>,2|C<4>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]C)(H){1|Nb<5>,1|C<3>,1|C<4>,2|H<1>}	N[6](Nb[3x6]P[3x6]N[6]2N)(C[6]C[6,6a]HH)(C[6a]C[6a]2){2|C<4>,2|H<1>,8|C<3>}	121.0900	3.122	6	121.0900	9.750	6	121.0900	9.750	6	121.0900	9.750	6	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	6:3:3:	C[6a]-3:N[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	Nb[6,6]-6:C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]C[6a])(N[6]Nb[6,6]C[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N[6])(H)	N[6](Nb[6,6]N[6]O[6]2NN)(C[6]C[6,6a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]C[6a])(N[6]Nb[6,6]C[6])(C[6a]C[6a]H){1|N<2>,1|N<3>,1|N<4>,2|H<1>,2|O<2>,5|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N[6])(H){1|Nb<6>,4|C<3>}	N[6](Nb[6,6]N[6]O[6]2NN)(C[6]C[6,6a]H)(C[6a]C[6a]2){1|H<1>,3|C<4>,6|C<3>}	115.4530	0.000	1	115.4530	0.000	1	115.4530	0.000	1	119.2221	2.876	7	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	6:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	Nb[6]-6:C[6]-3:C[6a]-3:	C[6a](N[6]Nb[6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](Nb[6]O[6]Cl2OO)(C[6]C[6,6a]H)(C[6a]C[6a]2)	C[6a](N[6]Nb[6]C[6])(C[6a]C[6a]H)2{2|Cl<1>,2|C<3>,3|H<1>,3|O<2>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|Nb<6>,1|H<1>,1|O<2>,2|C<3>}	N[6](Nb[6]O[6]Cl2OO)(C[6]C[6,6a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	119.9350	0.666	2	119.9350	0.444	2	119.9350	0.444	2	119.2221	2.876	7	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	6:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	Si[6,6]-6:C[6a]-3:C[6]-3:	C[6a](N[6]Si[6,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](Si[6,6]N[6]O[6]2NN)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Si[6,6]C[6])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>,2|N<2>,2|O<2>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|Si<6>,2|C<3>,2|H<1>}	N[6](Si[6,6]N[6]O[6]2NN)(C[6a]C[6a]2)(C[6]C[6]C){3|H<1>,6|C<3>}	119.8080	0.268	4	119.8080	0.072	4	119.8080	0.072	4	119.2221	2.876	7	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	6:4:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	Nb[3,5,6,6]-6:C[6]-4:C[6a]-3:	C[6a](N[6]Nb[3,5,6,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]C)(H)	N[6](Nb[3,5,6,6]P[5,6,6]C[3,5]N[3]N[6]C)(C[6]C[6,6a]HH)(C[6a]C[6a]2)	C[6a](N[6]Nb[3,5,6,6]C[6])(C[6a]C[6a]H)2{1|P<4>,2|C<3>,2|H<1>,2|N<3>,4|C<4>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]C)(H){1|Nb<6>,1|C<3>,1|C<4>,2|H<1>}	N[6](Nb[3,5,6,6]P[5,6,6]C[3,5]N[3]N[6]C)(C[6]C[6,6a]HH)(C[6a]C[6a]2){1|C<4>,3|H<1>,9|C<3>}	120.8830	2.049	4	120.8830	4.200	4	120.8830	4.200	4	120.6329	3.145	14	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	6:4:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	Nb[3x6]-6:C[6]-4:C[6a]-3:	C[6a](N[6]Nb[3x6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]C)(H)	N[6](Nb[3x6]P[3x6]N[6]3N)(C[6]C[6,6a]HH)(C[6a]C[6a]2)	C[6a](N[6]Nb[3x6]C[6])(C[6a]C[6a]H)2{1|N<2>,1|P<4>,2|C<3>,2|C<4>,2|H<1>,3|N<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]C)(H){1|Nb<6>,1|C<3>,1|C<4>,2|H<1>}	N[6](Nb[3x6]P[3x6]N[6]3N)(C[6]C[6,6a]HH)(C[6a]C[6a]2){10|C<3>,2|C<4>,2|H<1>}	121.3047	1.498	6	121.3047	2.244	6	121.3047	2.244	6	120.6329	3.145	14	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	6:4:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	Nb[5,6]-6:P[6]-4:C[6a]-3:	C[6a](N[6]Nb[5,6]P[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](Nb[5,6]N[5,6]P[5]Cl2N)(P[6]C[6,6a]CC)(C[6a]C[6a]2)	C[6a](N[6]Nb[5,6]P[6])(C[6a]C[6a]H)2{2|Cl<1>,1|N<2>,1|N<3>,1|P<4>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|Nb<6>,1|C<3>,1|P<4>,2|H<1>}	N[6](Nb[5,6]N[5,6]P[5]Cl2N)(P[6]C[6,6a]CC)(C[6a]C[6a]2){2|C<4>,2|H<1>,6|C<3>}	119.3750	1.610	4	119.3750	2.592	4	119.3750	2.592	4	120.6329	3.145	14	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	8:4:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	Nb[3x3,5,6,6]-8:C[6]-4:C[6a]-3:	C[6a](N[6]Nb[3x3,5,6,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]C)(H)	N[6](Nb[3x3,5,6,6]P[5,6,6]C[3,5]S[3,3]N[3]N[6]O[3]2)(C[6]C[6,6a]HH)(C[6a]C[6a]2)	C[6a](N[6]Nb[3x3,5,6,6]C[6])(C[6a]C[6a]H)2{1|P<4>,1|S<5>,2|C<3>,2|H<1>,2|N<3>,2|O<2>,3|C<4>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]C)(H){1|Nb<8>,1|C<3>,1|C<4>,2|H<1>}	N[6](Nb[3x3,5,6,6]P[5,6,6]C[3,5]S[3,3]N[3]N[6]O[3]2)(C[6]C[6,6a]HH)(C[6a]C[6a]2){1|O<1>,2|C<4>,3|H<1>,9|C<3>}	120.8847	2.398	4	120.8847	5.751	4	120.8847	5.751	4	120.8847	5.751	4	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:2:	3:3:2:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6]-3:N[6]-2:	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(NS)	N[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6])	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]N){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(NS){1|N<2>,2|C<3>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]){1|N<2>,3|C<3>,3|H<1>}	119.4130	0.000	1	119.4130	0.000	1	119.4130	0.000	1	118.4033	0.792	3	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:2:	3:3:2:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6a](N[6]C[6,6a]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OC)	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6])	C[6a](N[6]C[6,6a]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OC){1|N<2>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]){1|N<2>,1|O<2>,2|H<1>,5|C<3>}	117.8985	0.235	2	117.8985	0.055	2	117.8985	0.055	2	118.4033	0.792	3	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:O-2:	C[6]-3:C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OC)	N[6](C[6]C[6a]N[6])(C[6]C[6,6a]N)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2){1|H<1>,1|N<2>,1|N<3>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	N[6](C[6]C[6a]N[6])(C[6]C[6,6a]N)(C[6a]C[6a]2){1|H<1>,1|O<2>,6|C<3>}	118.2320	0.000	1	118.2320	0.000	1	119.1088	1.238	4	119.0328	3.222	12	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:O-2:	C[6]-3:C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OH)	N[6](C[6]C[6,6a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2){1|H<1>,2|O<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OH){2|H<1>,3|C<3>}	N[6](C[6]C[6,6a]O)2(C[6a]C[6a]2){1|H<1>,1|O<2>,5|C<3>}	118.1690	0.000	1	119.3200	2.650	2	119.1088	1.238	4	119.0328	3.222	12	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:O-2:	C[6]-3:C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OH)	N[6](C[6]C[6,6a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2){2|H<1>,2|O<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OH){1|H<1>,4|C<3>}	N[6](C[6]C[6,6a]O)2(C[6a]C[6a]2){1|H<1>,1|O<2>,5|C<3>}	120.4710	0.000	1	119.3200	2.650	2	119.1088	1.238	4	119.0328	3.222	12	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:O-2:	C[6]-3:C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OS)	N[6](C[6]C[6,6a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2){2|H<1>,2|O<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OS){2|H<1>,3|C<3>}	N[6](C[6]C[6,6a]O)2(C[6a]C[6a]2){1|H<1>,1|O<2>,5|C<3>}	119.5630	0.000	1	119.5630	0.000	1	119.1088	1.238	4	119.0328	3.222	12	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:O-2:	C[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OC)	N[6](C[6]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	N[6](C[6]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]N){1|H<1>,1|O<2>,6|C<3>}	116.1670	0.000	1	116.1670	0.000	1	117.4393	1.273	3	119.0328	3.222	12	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:O-2:	C[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OC)	N[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]Se)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2){1|Se<1>,1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	N[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]Se){1|O<2>,2|H<1>,5|C<3>}	118.0755	0.343	2	118.0755	0.118	2	117.4393	1.273	3	119.0328	3.222	12	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OC)	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OC){1|H<1>,1|O<2>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]N){1|C<2>,1|C<4>,1|H<1>,1|O<2>,3|C<3>}	118.8590	0.000	1	118.8590	0.000	1	118.9960	0.054	4	119.0328	3.222	12	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OC)	N[6](C[6a]C[6a]2)(C[6]C[6]O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OC){1|H<1>,1|N<3>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]O)2{2|C<3>,2|O<2>,5|H<1>}	119.3020	0.000	1	119.3020	0.000	1	118.9960	0.054	4	119.0328	3.222	12	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]O)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OC)	N[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]P)	C[6a](C[6a]C[6a]O)2(N[6]C[6]2){1|P<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OC){1|H<1>,1|O<2>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]P){2|H<1>,2|O<2>,3|C<3>}	118.9115	0.192	2	118.9115	0.037	2	118.9960	0.054	4	119.0328	3.222	12	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:2:	3:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OC)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,1|N<3>,5|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OC){1|H<1>,1|O<2>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|O<2>,1|S<2>,3|H<1>,6|C<3>}	123.6560	0.000	1	123.6560	0.000	1	123.6560	0.000	1	119.0328	3.222	12	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:2:	3:3:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:O-2:	C[6]-3:C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OC)	N[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CH){1|H<1>,1|O<2>,7|C<3>}	120.0530	0.000	1	120.0530	0.000	1	119.0070	0.982	3	118.9900	0.656	4	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:2:	3:3:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:O-2:	C[6]-3:C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OH)	N[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OH){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]HH){1|O<2>,3|H<1>,4|C<3>}	118.4840	0.569	2	118.4840	0.323	2	119.0070	0.982	3	118.9900	0.656	4	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:2:	3:3:4:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:S-2:	C[6]-3:C[6a]-3:B[6]-4:	C[6a](N[6]B[6]C[6])(C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(SC)	N[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(B[6]O[6]FF)	C[6a](N[6]B[6]C[6])(C[6a]C[6a]H)(C[6a]C[6a]S){1|O<2>,2|C<3>,2|F<1>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(SC){1|B<4>,2|C<3>,2|H<1>}	N[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(B[6]O[6]FF){1|H<1>,1|S<2>,4|C<3>}	118.9390	0.000	1	118.9390	0.000	1	118.9390	0.000	1	118.9900	0.656	4	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:2:	3:4:2:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:B[6]-4:N[6]-2:	C[6a](N[6]B[6]N[6])(C[6a]C[6a]O)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OC)	N[6](C[6a]C[6a]2)(B[6]N[6]FF)(N[6]C[6])	C[6a](N[6]B[6]N[6])(C[6a]C[6a]O)2{1|N<3>,2|C<3>,2|F<1>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OC){1|B<4>,1|C<3>,1|H<1>,1|N<2>,1|O<2>}	N[6](C[6a]C[6a]2)(B[6]N[6]FF)(N[6]C[6]){1|C<2>,1|N<2>,2|O<2>,3|C<3>}	119.3127	1.571	4	119.3127	2.469	4	119.3127	2.469	4	119.3127	2.469	4	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:2:	3:4:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6]-4:C[6]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OC)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	119.7393	1.007	3	119.7393	1.015	3	118.8684	0.883	8	119.0948	0.861	12	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:2:	3:4:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6]-4:C[6]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OC)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]Ir)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2){1|Ir<6>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]Ir){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	118.5680	0.000	1	118.5680	0.000	1	118.8684	0.883	8	119.0948	0.861	12	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:2:	3:4:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6]-4:C[6]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OC)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]Rh)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2){1|Rh<6>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]Rh){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	118.2903	0.387	4	118.2903	0.150	4	118.8684	0.883	8	119.0948	0.861	12	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:2:	3:4:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:C[6]-4:C[6]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(SC)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(N[6]C[6]2){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(SC){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]H){1|C<4>,1|S<2>,3|C<3>,3|H<1>}	118.9530	0.566	2	118.9530	0.320	2	118.9530	0.320	2	119.0948	0.861	12	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:2:	3:4:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:B[6]-4:C[6]-3:	C[6a](N[6]B[6]C[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OC)	N[6](C[6a]C[6a]2)(B[6]N[6]FF)(C[6]C[6]C)	C[6a](N[6]B[6]C[6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|N<3>,2|C<3>,2|F<1>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OC){1|B<4>,2|C<3>,2|H<1>}	N[6](C[6a]C[6a]2)(B[6]N[6]FF)(C[6]C[6]C){1|O<2>,2|H<1>,4|C<3>}	120.1425	0.565	2	120.1425	0.319	2	120.1425	0.319	2	119.0948	0.861	12	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:2:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(N[6]C[6]2)	C[6a](C[6a]C[6,6a]N[6])(C[6a]O[6a]O)(CN)	N[6](C[6a]C[6,6a]C[6a])(C[6]C[6]HH)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(N[6]C[6]2){1|C<3>,1|O<1>,1|O<2>,1|S<2>,2|C<4>,6|H<1>}	C[6a](C[6a]C[6,6a]N[6])(C[6a]O[6a]O)(CN){1|C<3>,3|C<4>}	N[6](C[6a]C[6,6a]C[6a])(C[6]C[6]HH)2{1|C<2>,2|C<3>,2|C<4>,4|H<1>}	124.0850	0.000	1	124.0850	0.000	1	124.0850	0.000	1	119.6290	3.854	35	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:2:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]2)(CN)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2){2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]2)(CN){1|H<1>,2|C<4>,4|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<2>,1|C<4>,2|C<3>,5|H<1>}	118.6130	0.000	1	118.9813	0.889	3	119.6906	7.125	7	119.6290	3.854	35	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:2:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]2)(CN)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2){2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]2)(CN){2|C<4>,2|H<1>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<2>,1|C<4>,2|C<3>,5|H<1>}	119.1655	1.255	2	118.9813	0.889	3	119.6906	7.125	7	119.6290	3.854	35	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:2:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]C)(CN)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2){2|C<3>,3|C<4>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]C)(CN){1|C<3>,1|H<1>,3|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<2>,1|C<4>,2|C<3>,5|H<1>}	119.7510	0.000	1	119.7510	0.000	1	119.6906	7.125	7	119.6290	3.854	35	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:2:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]N)(CN)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]N)(CN){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<2>,1|C<4>,2|C<3>,5|H<1>}	118.8370	0.000	1	118.8370	0.000	1	119.6906	7.125	7	119.6290	3.854	35	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:2:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]O[6a]O)(CN)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]O[6a]O)(CN){1|C<3>,1|H<1>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<2>,1|N<3>,2|C<3>,5|H<1>}	125.3020	0.000	1	125.3020	0.000	1	119.6906	7.125	7	119.6290	3.854	35	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:2:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])2(CN)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,1|N<3>,3|C<4>,4|H<1>}	C[6a](C[6a]C[6a]N[6])2(CN){1|C<3>,2|H<1>,4|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<2>,1|O<2>,2|C<3>,5|H<1>}	117.0000	0.000	1	117.0000	0.000	1	119.6906	7.125	7	119.6290	3.854	35	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:2:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])2(NN)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(N[6]C[6]2){1|Br<1>,1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]N[6])2(NN){1|C<3>,2|F<1>,4|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|F<1>,1|N<2>,1|O<2>,2|C<3>,4|H<1>}	124.3230	0.000	1	121.9144	4.932	5	121.9144	4.932	5	119.6290	3.854	35	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:2:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])2(NN)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(N[6]C[6]2){1|C<3>,1|I<1>,1|N<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]N[6])2(NN){1|C<3>,2|F<1>,4|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|F<1>,1|N<2>,1|O<2>,2|C<3>,4|H<1>}	121.3123	2.039	4	121.9144	4.932	5	121.9144	4.932	5	119.6290	3.854	35	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:2:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OC)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{2|C<3>,2|O<2>,5|H<1>}	119.4120	0.000	1	118.9652	0.424	18	119.0165	0.450	19	119.6290	3.854	35	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:2:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OC)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<3>,1|O<2>,2|C<3>,5|H<1>}	119.2557	0.861	7	118.9652	0.424	18	119.0165	0.450	19	119.6290	3.854	35	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:2:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OC)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<4>,1|O<2>,2|C<3>,5|H<1>}	118.7172	0.388	10	118.9652	0.424	18	119.0165	0.450	19	119.6290	3.854	35	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:2:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OH)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OH){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<3>,1|O<2>,2|C<3>,5|H<1>}	119.9390	0.000	1	119.9390	0.000	1	119.0165	0.450	19	119.6290	3.854	35	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:2:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(SC[6a])	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(SC[6a]){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<4>,1|S<2>,2|C<3>,5|H<1>}	118.0700	0.165	3	118.0700	0.027	3	118.0700	0.027	3	119.6290	3.854	35	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:2:	4:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:O-2:	C[6]-4:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OC[6a])	N[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(C[6]C[6]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OC[6a]){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(C[6]C[6]O){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	119.8240	0.000	1	119.8240	0.000	1	120.0640	0.115	2	119.9474	0.451	8	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:2:	4:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:O-2:	C[6]-4:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OH)	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OH){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	120.3040	0.000	1	120.3040	0.000	1	120.0640	0.115	2	119.9474	0.451	8	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:2:	4:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:S-2:	C[6]-4:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(SC)	N[6](C[6]C[6]O[6]C)(C[6a]C[6a]2)(C[6]C[6]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(N[6]C[6]2){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(SC){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6]C[6]O[6]C)(C[6a]C[6a]2)(C[6]C[6]O){1|H<1>,1|S<2>,6|C<3>}	119.7950	0.000	1	119.7950	0.000	1	119.7950	0.000	1	119.9474	0.451	8	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:2:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	B[5a,6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]B[5a,6]C[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OH)	N[6](B[5a,6]N[5a,6]O[5a]O)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]B[5a,6]C[6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|N<3>,2|C<3>,2|H<1>,2|O<2>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OH){1|B<4>,2|C<3>,2|H<1>}	N[6](B[5a,6]N[5a,6]O[5a]O)(C[6a]C[6a]2)(C[6]C[6]C){1|O<2>,2|H<1>,5|C<3>}	120.4625	0.955	2	120.4625	0.913	2	120.4625	0.913	2	119.9474	0.451	8	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:2:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	B[6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]B[6]C[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OC)	N[6](B[6]C[6a]2O[6])(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]B[6]C[6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OC){1|B<4>,1|H<1>,1|O<2>,2|C<3>}	N[6](B[6]C[6a]2O[6])(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,1|N<2>,1|O<2>,7|C<3>}	120.1830	0.000	1	120.1830	0.000	1	120.1830	0.000	1	119.9474	0.451	8	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:2:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[5,6]-4:C[6]-3:C[6a]-3:	C[6a](N[6]C[5,6]C[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OC)	N[6](C[5,6]C[5]2N[6])(C[6]C[6,6a]O)(C[6a]C[6a]2)	C[6a](N[6]C[5,6]C[6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>,2|H<1>}	N[6](C[5,6]C[5]2N[6])(C[6]C[6,6a]O)(C[6a]C[6a]2){1|O<2>,2|H<1>,2|O<1>,6|C<3>}	119.8140	0.000	1	119.8140	0.000	1	119.8140	0.000	1	119.9474	0.451	8	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:2:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6,6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]C[6,6]C[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]O)(OC)	N[6](C[6,6]C[5,6,6]C[6]H)(C[6a]C[6a]2)(C[6]O[6]O)	C[6a](N[6]C[6,6]C[6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]O)(OC){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6,6]C[5,6,6]C[6]H)(C[6a]C[6a]2)(C[6]O[6]O){2|C<4>,2|O<2>,3|C<3>,3|H<1>}	118.7340	0.000	1	118.7340	0.000	1	118.7340	0.000	1	119.9474	0.451	8	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:2:	4:3:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:O-2:	C[6]-4:C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OH)	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2){2|C<3>,3|C<4>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OH){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CH){2|O<2>,3|H<1>,6|C<3>}	115.1630	0.000	2	115.1630	0.000	2	118.0665	11.240	4	118.0665	11.240	4	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:2:	4:3:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:O-2:	C[6]-4:C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OH)	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2){2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OH){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH){2|O<2>,3|H<1>,6|C<3>}	120.9700	0.000	2	120.9700	0.000	2	118.0665	11.240	4	118.0665	11.240	4	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:2:	4:4:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:O-2:	C[6]-4:C[6]-4:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OC[6a])	N[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6]H)(C[6a]C[6a]2){1|O<2>,2|H<1>,9|C<3>}	122.6370	0.000	1	122.6370	0.000	1	122.6370	0.000	1	117.5827	19.184	3	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:2:	4:4:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	Si[6]-4:C[6]-4:C[6a]-3:	C[6a](N[6]Si[6]C[6])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(NC)	N[6](Si[6]C[6a]O[6]O)(C[6]C[6,6a]CH)(C[6a]C[6a]2)	C[6a](N[6]Si[6]C[6])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<2>,2|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(NC){1|Si<4>,1|C<3>,1|C<4>,2|H<1>}	N[6](Si[6]C[6a]O[6]O)(C[6]C[6,6a]CH)(C[6a]C[6a]2){1|H<1>,1|N<2>,6|C<3>}	114.8990	0.000	1	115.0555	0.049	2	115.0555	0.049	2	117.5827	19.184	3	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:2:	4:4:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	Si[6]-4:C[6]-4:C[6a]-3:	C[6a](N[6]Si[6]C[6])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(NC)	N[6](Si[6]C[6a]O[6]O)(C[6]C[6,6a]CH)(C[6a]C[6a]2)	C[6a](N[6]Si[6]C[6])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,2|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(NC){1|Si<4>,1|C<3>,1|C<4>,2|H<1>}	N[6](Si[6]C[6a]O[6]O)(C[6]C[6,6a]CH)(C[6a]C[6a]2){1|H<1>,1|N<2>,6|C<3>}	115.2120	0.000	1	115.0555	0.049	2	115.0555	0.049	2	117.5827	19.184	3	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CNO)	N[6](C[6]C[6,6a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2){2|H<1>,2|O<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CNO){2|H<1>,3|C<3>}	N[6](C[6]C[6,6a]O)2(C[6a]C[6a]2){1|H<1>,6|C<3>}	119.8390	0.000	1	119.8390	0.000	1	120.5374	1.766	9	120.8741	2.417	21	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(COO)	N[6](C[6]C[6,6a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2){1|H<1>,2|O<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(COO){2|H<1>,3|C<3>}	N[6](C[6]C[6,6a]O)2(C[6a]C[6a]2){1|H<1>,6|C<3>}	122.1070	0.000	1	121.3045	0.497	6	120.5374	1.766	9	120.8741	2.417	21	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(COO)	N[6](C[6]C[6,6a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2){2|H<1>,2|O<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(COO){2|H<1>,3|C<3>}	N[6](C[6]C[6,6a]O)2(C[6a]C[6a]2){1|H<1>,6|C<3>}	121.1440	0.655	5	121.3045	0.497	6	120.5374	1.766	9	120.8741	2.417	21	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCC)	N[6](C[6]C[6,6a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(N[6]C[6]2){2|H<1>,2|O<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCC){1|H<1>,4|C<3>}	N[6](C[6]C[6,6a]O)2(C[6a]C[6a]2){7|C<3>}	118.5560	0.000	1	118.5560	0.000	1	120.5374	1.766	9	120.8741	2.417	21	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CNO)	N[6](C[6]C[6,6a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(N[6]C[6]2){2|H<1>,2|O<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CNO){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6]C[6,6a]O)2(C[6a]C[6a]2){1|C<4>,6|C<3>}	118.6150	0.000	1	118.6150	0.000	1	120.5374	1.766	9	120.8741	2.417	21	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCO)	N[6](C[6]C[6,6]O)(C[6a]C[6a]2)(C[6]C[6]O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCO){2|H<1>,3|C<3>}	N[6](C[6]C[6,6]O)(C[6a]C[6a]2)(C[6]C[6]O){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	119.8050	0.000	1	119.8050	0.000	1	119.8050	0.000	1	120.8741	2.417	21	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	B[6]-3:B[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)2(N[6]B[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6](B[6]C[6,6a]H)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)2(N[6]B[6]2){4|H<1>,7|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]2)(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,2|B<3>,4|C<3>}	N[6](B[6]C[6,6a]H)2(C[6a]C[6a]2){7|C<3>}	120.4040	1.669	2	120.4040	2.785	2	120.4040	2.785	2	120.8741	2.417	21	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6]-3:C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]2)(C[6a]N[6a]H)	N[6](C[6]C[6a]C[6])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)2(N[6]C[6]2){1|N<2>,2|H<1>,8|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]2)(C[6a]N[6a]H){2|H<1>,6|C<3>}	N[6](C[6]C[6a]C[6])2(C[6a]C[6a]2){2|H<1>,9|C<3>}	119.2400	0.619	2	119.2400	0.384	2	119.2400	0.384	2	120.8741	2.417	21	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(NOO)	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]N[6]S)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[6]C[6]2){1|C<4>,1|N<3>,1|S<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(NOO){1|H<1>,1|O<2>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]N[6]S){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	123.1040	0.000	1	123.1040	0.000	1	123.3230	0.537	3	120.8741	2.417	21	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(NOO)	N[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[6]C[6]2){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(NOO){1|Cl<1>,1|H<1>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,3|C<3>,3|H<1>}	124.1400	0.000	1	123.4325	1.001	2	123.3230	0.537	3	120.8741	2.417	21	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(NOO)	N[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[6]C[6]2){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(NOO){1|H<1>,1|N<3>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,3|C<3>,3|H<1>}	122.7250	0.000	1	123.4325	1.001	2	123.3230	0.537	3	120.8741	2.417	21	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:N[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C[6])(N[6]C[6,6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]2)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(N[6]C[6,6a]2)(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]2){1|O<1>,3|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){3|H<1>,8|C<3>}	121.0890	0.000	1	121.0890	0.000	1	121.0890	0.000	1	120.8741	2.417	21	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:N[6]-3:C[6a]-3:	C[6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[6])(N[6]C[6,6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6])(N[6]C[6,6a]2)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6])(N[6]C[6,6a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,7|C<3>}	C[6a](C[6a]C[6a]N[6])(N[6]C[6,6a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,7|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|N<3>,1|S<2>,3|H<1>,6|C<3>}	119.7960	0.000	1	119.7960	0.000	1	119.7960	0.000	1	120.8741	2.417	21	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:3:	3:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:B-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]B)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(BC[6a]2)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]B)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(BC[6a]2){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|B<3>,1|O<2>,3|H<1>,6|C<3>}	121.0250	0.000	1	121.0250	0.000	1	121.0250	0.000	1	120.8741	2.417	21	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:3:	3:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](N[6]C[5a,6]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(NOO)	N[6](C[5a,6]C[5a,6]N[5a])2(C[6a]C[6a]2)	C[6a](N[6]C[5a,6]2)(C[6a]C[6a]H)(C[6a]C[6a]N){2|H<1>,2|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(NOO){1|H<1>,1|N<3>,3|C<3>}	N[6](C[5a,6]C[5a,6]N[5a])2(C[6a]C[6a]2){1|H<1>,2|C<3>,2|N<2>,2|N<3>,2|O<2>}	122.5470	0.000	1	122.5470	0.000	1	122.5470	0.000	1	120.8741	2.417	21	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCO)	N[6](C[6]C[6,6]O)(C[6a]C[6a]2)(C[6]C[6]CO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCO){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6]C[6,6]O)(C[6a]C[6a]2)(C[6]C[6]CO){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	118.5960	0.000	1	118.5960	0.000	1	119.0605	0.248	4	119.8040	0.764	8	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCO)	N[6](C[6]C[6,6]O)(C[6a]C[6a]2)(C[6]C[6]HO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCO){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6]C[6,6]O)(C[6a]C[6a]2)(C[6]C[6]HO){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	119.2153	0.478	3	119.2153	0.228	3	119.0605	0.248	4	119.8040	0.764	8	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:N[6]-3:C[6a]-3:	C[6a]-3:N[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:B[6]-4:	C[6a](C[6a]C[6a]N[6])(N[6]B[6]C[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6])(N[6]B[6]C[6])(C[6a]C[6a]H)	N[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(B[6]O[6]FF)	C[6a](C[6a]C[6a]N[6])(N[6]B[6]C[6])(C[6a]C[6a]H){1|B<4>,1|O<2>,2|F<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(N[6]B[6]C[6])(C[6a]C[6a]H){1|B<4>,1|O<2>,2|F<1>,3|C<3>,3|H<1>}	N[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(B[6]O[6]FF){1|H<1>,1|N<3>,4|C<3>}	120.5475	0.245	4	120.5475	0.060	4	120.5475	0.060	4	119.8040	0.764	8	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:3:	3:4:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:C[6]-3:	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]2)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[5,6a]C)(C[6a]C[6a]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]O[6]O)	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]2)(N[6]C[6]2){1|O<1>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[5,6a]C)(C[6a]C[6a]2){1|O<2>,4|C<3>,4|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]O[6]O){3|C<3>,4|C<4>}	118.8140	0.263	2	118.8140	0.069	2	118.8140	0.069	2	119.3653	0.478	4	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:3:	3:4:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6]-4:N[6]-3:	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(NOO)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(NOO){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	119.9165	0.385	2	119.9165	0.149	2	119.9165	0.149	2	119.3653	0.478	4	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6a,6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])(N[6]C[6]2)	C[6a](C[6a]C[6a,6a]N[6])(C[5a]N[5a]O[5a])(C[6a]N[6a]H)	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])(N[6]C[6]2){1|O<2>,2|C<3>,2|C<4>,2|N<2>,6|H<1>}	C[6a](C[6a]C[6a,6a]N[6])(C[5a]N[5a]O[5a])(C[6a]N[6a]H){1|N<2>,2|C<4>,3|C<3>}	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2{1|N<3>,4|C<3>,4|H<1>}	124.0820	0.000	2	124.0820	0.000	2	124.0820	0.000	2	120.7908	5.183	28	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6a,6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(N[6]C[6]2)	C[6a](C[6a]C[6a,6a]N[6])(C[6a]C[6a]H)(NOsH)	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(N[6]C[6]2){2|C<4>,3|C<3>,6|H<1>}	C[6a](C[6a]C[6a,6a]N[6])(C[6a]C[6a]H)(NOsH){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2{1|C<4>,1|N<3>,3|C<3>,4|H<1>}	114.2790	0.000	1	114.2790	0.000	1	114.2790	0.000	1	120.7908	5.183	28	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6])(NCH)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(N[6]C[6]2){2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6])(NCH){2|C<4>,2|H<1>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<3>,1|O<2>,2|C<3>,5|H<1>}	118.2970	0.000	1	118.2970	0.000	1	118.2970	0.000	1	120.7908	5.183	28	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a,6a]N[5])(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6])(N[5]C[5]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a,6a]N[5])(C[6a]C[6a]H)(N[6]C[6]2){3|C<3>,3|C<4>,5|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6])(N[5]C[5]2){1|Pd<6>,1|N<3>,3|C<3>,3|C<4>,4|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<4>,1|N<3>,2|C<3>,5|H<1>}	122.4545	0.343	2	122.4545	0.118	2	122.4545	0.118	2	120.7908	5.183	28	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(BC[6a]Cl)	N[6](C[6a]C[6a]2)(C[6]C[6]CC)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,2|H<1>,6|C<4>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(BC[6a]Cl){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]CC)2{1|B<3>,1|C<4>,2|C<3>,5|H<1>}	120.3100	0.000	1	120.3100	0.000	1	120.3100	0.000	1	120.7908	5.183	28	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]O)(B[5]O[5]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,2|C<4>,3|O<2>,5|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]O)(B[5]O[5]2){1|C<3>,2|H<1>,4|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|B<3>,1|O<2>,2|C<3>,5|H<1>}	116.6760	0.000	1	116.6760	0.000	1	116.6760	0.000	1	120.7908	5.183	28	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CC[5a]H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CC[5a]H){1|C<3>,1|F<1>,1|H<1>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<4>,1|F<1>,3|C<3>,4|H<1>}	120.2060	0.000	1	120.2060	0.000	1	120.2625	2.378	8	120.7908	5.183	28	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]C)(CCC)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,3|C<4>,5|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]C)(CCC){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|O<2>,3|C<3>,5|H<1>}	117.6200	0.000	1	117.6200	0.000	1	120.2625	2.378	8	120.7908	5.183	28	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]C)(CC[6a]C)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,3|C<4>,5|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]C)(CC[6a]C){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|O<2>,3|C<3>,5|H<1>}	118.2370	0.000	1	118.2370	0.000	1	120.2625	2.378	8	120.7908	5.183	28	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CNO)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CNO){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|O<2>,3|C<3>,5|H<1>}	121.1960	0.000	1	121.1960	0.000	1	120.2625	2.378	8	120.7908	5.183	28	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(COO)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2){1|C<2>,1|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(COO){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<3>,3|C<3>,5|H<1>}	121.0180	0.847	2	121.0180	0.718	2	120.2625	2.378	8	120.7908	5.183	28	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]N[6a]H)(CNO)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2){1|N<2>,2|C<4>,6|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]N[6a]H)(CNO){1|C<3>,1|H<1>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|O<2>,3|C<3>,5|H<1>}	121.7380	0.000	1	121.7380	0.000	1	120.2625	2.378	8	120.7908	5.183	28	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CN[6]O)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CN[6]O){1|C<3>,2|C<4>,2|N<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<3>,1|O<2>,3|C<3>,4|H<1>}	121.0670	0.000	1	121.0670	0.000	1	120.2625	2.378	8	120.7908	5.183	28	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(NOO)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(NOO){1|N<3>,2|C<3>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<3>,1|O<2>,3|C<3>,4|H<1>}	123.2750	0.000	1	123.2750	0.000	1	121.6763	8.343	3	120.7908	5.183	28	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(NCH)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(NCH){1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<3>,1|O<2>,2|C<3>,5|H<1>}	118.3420	0.000	1	118.3420	0.000	1	121.6763	8.343	3	120.7908	5.183	28	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(NOO)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[6]C[6]2){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(NOO){1|Cl<1>,1|C<3>,1|H<1>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<3>,1|O<2>,2|C<3>,5|H<1>}	123.4120	0.000	1	123.4120	0.000	1	121.6763	8.343	3	120.7908	5.183	28	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,1|N<3>,4|C<4>,5|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,1|N<3>,4|C<4>,5|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<4>,1|N<3>,2|C<3>,5|H<1>}	122.2110	0.980	3	121.3753	0.733	9	121.3753	0.733	9	120.7908	5.183	28	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,1|N<3>,4|C<4>,5|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,1|N<3>,4|C<4>,5|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<3>,1|O<2>,2|C<3>,5|H<1>}	120.9575	0.399	6	121.3753	0.733	9	121.3753	0.733	9	120.7908	5.183	28	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:3:	4:3:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:N-3:	C[6]-4:C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(NOO)	N[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[6]C[6]2){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(NOO){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]C[6]HH){1|N<3>,3|H<1>,4|C<3>}	122.9600	0.000	1	122.9600	0.000	1	122.9600	0.000	1	122.9600	0.000	1	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:3:	4:4:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6]-4:C[6]-4:C[6a]-3:	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]2)	N[6](C[6]N[6,6]HH)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,2|C<4>,2|N<3>,6|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,2|C<4>,2|N<3>,6|H<1>}	N[6](C[6]N[6,6]HH)2(C[6a]C[6a]2){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	121.1440	0.000	1	121.1440	0.000	1	121.1440	0.000	1	121.1440	0.000	1	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:3:	6:3:3:	C[6a]-3:N[6]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	Nb[6,6]-6:C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]C[6a])(N[6]Nb[6,6]C[6])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6])	N[6](Nb[6,6]N[6]O[6]2NN)(C[6]C[6,6a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]C[6a])(N[6]Nb[6,6]C[6])(C[6a]C[6a]H){1|N<2>,1|N<3>,1|N<4>,2|H<1>,2|O<2>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6]){1|Nb<6>,1|N<2>,2|H<1>,7|C<3>}	N[6](Nb[6,6]N[6]O[6]2NN)(C[6]C[6,6a]H)(C[6a]C[6a]2){1|H<1>,3|C<4>,6|C<3>}	122.1670	0.000	1	122.1670	0.000	1	122.1670	0.000	1	122.1670	0.000	1	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:3:2:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C-4:	As[6]-3:C[6a]-3:As[6]-2:	C[6a](C[6a]C[6a]C)2(N[6]As[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](As[6]N[6]Cl)(C[6a]C[6a]2)(As[6]N[6])	C[6a](C[6a]C[6a]C)2(N[6]As[6]2){1|Cl<1>,1|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|As<2>,1|As<3>,1|C<3>,1|C<4>,1|H<1>}	N[6](As[6]N[6]Cl)(C[6a]C[6a]2)(As[6]N[6]){1|As<3>,2|C<4>,4|C<3>}	119.0935	0.811	4	119.0935	0.659	4	119.0935	0.659	4	119.2409	0.445	76	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:3:2:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-3:C[6]-2:	C[6a](C[6a]C[6a]C)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3)	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6])	C[6a](C[6a]C[6a]C)2(N[6]C[6]2){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3){1|C<2>,2|C<3>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]){3|C<3>,5|C<4>}	118.7270	0.233	2	118.7885	0.044	6	118.7885	0.044	6	119.2409	0.445	76	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:3:2:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-3:C[6]-2:	C[6a](C[6a]C[6a]C)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3)	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6])	C[6a](C[6a]C[6a]C)2(N[6]C[6]2){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3){1|C<2>,2|C<3>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]){4|C<3>,4|C<4>}	118.8192	0.226	4	118.7885	0.044	6	118.7885	0.044	6	119.2409	0.445	76	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:3:2:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P[6]-3:P[6]-2:	C[6a](C[6a]C[6a]C)2(N[6]P[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](C[6a]C[6a]2)(P[6]N[6]Cl)(P[6]N[6])	C[6a](C[6a]C[6a]C)2(N[6]P[6]2){1|Cl<1>,1|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|C<3>,1|C<4>,1|H<1>,1|P<2>,1|P<3>}	N[6](C[6a]C[6a]2)(P[6]N[6]Cl)(P[6]N[6]){1|P<3>,2|C<4>,4|C<3>}	118.8353	0.854	4	118.8353	0.729	4	118.8353	0.729	4	119.2409	0.445	76	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:3:2:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5,6,6]-3:C[6a]-3:Ge[6]-2:	C[6a](N[6]C[5,6,6]Ge[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6a]C[6a]2)(Ge[6]C[6])	C[6a](N[6]C[5,6,6]Ge[6])(C[6a]C[6a]C)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Ge<2>,1|C<4>,1|H<1>,2|C<3>}	N[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6a]C[6a]2)(Ge[6]C[6]){1|H<1>,1|P<3>,1|P<4>,2|C<3>,5|C<4>}	119.5715	0.441	4	119.5715	0.195	4	119.5715	0.195	4	119.2409	0.445	76	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:3:2:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6,6]-3:C[6a]-3:Ge[6]-2:	C[6a](N[6]C[6,6]Ge[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(Ge[6]N[6])	C[6a](N[6]C[6,6]Ge[6])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Ge<2>,1|C<4>,1|H<1>,2|C<3>}	N[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(Ge[6]N[6]){2|H<1>,3|C<3>,5|C<4>}	119.4665	0.433	2	119.4465	0.071	4	119.4465	0.071	4	119.2409	0.445	76	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:3:2:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6,6]-3:C[6a]-3:Ge[6]-2:	C[6a](N[6]C[6,6]Ge[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(Ge[6]N[6])	C[6a](N[6]C[6,6]Ge[6])(C[6a]C[6a]C)2{1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Ge<2>,1|C<4>,1|H<1>,2|C<3>}	N[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(Ge[6]N[6]){1|H<1>,4|C<3>,4|C<4>}	119.4265	0.151	2	119.4465	0.071	4	119.4465	0.071	4	119.2409	0.445	76	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:3:2:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6a]-3:Ge[6]-2:	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](C[6]C[6,6]C[6a])(C[6a]C[6a]2)(Ge[6]N[6])	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2{1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Ge<2>,1|C<4>,1|H<1>,2|C<3>}	N[6](C[6]C[6,6]C[6a])(C[6a]C[6a]2)(Ge[6]N[6]){3|C<4>,6|C<3>}	119.2030	0.885	2	119.2030	0.784	2	119.2030	0.784	2	119.2409	0.445	76	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:3:2:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:B[6]-3:Ge[6]-2:	C[6a](N[6]Ge[6]B[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3)	N[6](C[6a]C[6a]2)(B[6]N[6]N)(Ge[6]N[6])	C[6a](N[6]Ge[6]B[6])(C[6a]C[6a]C)2{1|C<3>,2|H<1>,3|N<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3){1|Ge<2>,1|B<3>,1|C<3>,1|C<4>,1|H<1>}	N[6](C[6a]C[6a]2)(B[6]N[6]N)(Ge[6]N[6]){3|C<4>,4|C<3>}	119.5158	0.835	6	119.5158	0.696	6	119.5158	0.696	6	119.2409	0.445	76	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:3:2:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-3:As[6]-2:	C[6a](N[6]As[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](C[6a]C[6a]2)(C[6]C[6]H)(As[6]N[6])	C[6a](N[6]As[6]C[6])(C[6a]C[6a]C)2{1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|As<2>,1|C<4>,1|H<1>,2|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]H)(As[6]N[6]){2|C<4>,5|C<3>}	118.7090	0.545	4	118.7090	0.298	4	118.7090	0.298	4	119.2409	0.445	76	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:3:2:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-3:Ga[6]-2:	C[6a](N[6]Ga[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](C[6a]C[6a]2)(C[6]C[6]C)(Ga[6]N[6])	C[6a](N[6]Ga[6]C[6])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Ga<2>,1|C<4>,1|H<1>,2|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]C)(Ga[6]N[6]){1|H<1>,2|C<4>,4|C<3>}	119.2645	0.265	4	119.2645	0.070	4	119.5922	0.212	8	119.2409	0.445	76	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:3:2:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-3:Ga[6]-2:	C[6a](N[6]Ga[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3)	N[6](C[6a]C[6a]2)(C[6]C[6]C)(Ga[6]N[6])	C[6a](N[6]Ga[6]C[6])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3){1|Ga<2>,2|C<3>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]C)(Ga[6]N[6]){1|H<1>,2|C<4>,4|C<3>}	119.9200	0.372	4	119.9200	0.138	4	119.5922	0.212	8	119.2409	0.445	76	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:3:2:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-3:Ge[6]-2:	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](C[6a]C[6a]2)(C[6]C[6]C)(Ge[6]N[6])	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Ge<2>,1|C<4>,1|H<1>,2|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]C)(Ge[6]N[6]){1|H<1>,2|C<4>,4|C<3>}	118.8275	0.564	12	119.0487	0.603	14	119.2559	0.636	22	119.2409	0.445	76	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:3:2:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-3:Ge[6]-2:	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](C[6a]C[6a]2)(C[6]C[6]C)(Ge[6]N[6])	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2{1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Ge<2>,1|C<4>,1|H<1>,2|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]C)(Ge[6]N[6]){1|H<1>,2|C<4>,4|C<3>}	120.3760	0.478	2	119.0487	0.603	14	119.2559	0.636	22	119.2409	0.445	76	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:3:2:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-3:Ge[6]-2:	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](C[6a]C[6a]2)(C[6]C[6]C)(Ge[6]O[6])	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Ge<2>,1|C<4>,1|H<1>,2|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]C)(Ge[6]O[6]){1|H<1>,3|C<3>,3|C<4>}	119.5935	1.518	2	119.5935	2.305	2	119.2559	0.636	22	119.2409	0.445	76	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:3:2:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-3:Ge[6]-2:	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](C[6a]C[6a]2)(C[6]C[6]N)(Ge[6]N[6])	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2{2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Ge<2>,1|C<4>,1|H<1>,2|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]N)(Ge[6]N[6]){1|H<1>,2|C<4>,4|C<3>}	119.4520	0.587	4	119.4520	0.345	4	119.2559	0.636	22	119.2409	0.445	76	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:3:2:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-3:Ge[6]-2:	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3)	N[6](C[6a]C[6a]2)(C[6]C[6]C)(Ge[6]N[6])	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3){1|Ge<2>,2|C<3>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]C)(Ge[6]N[6]){1|H<1>,3|C<3>,3|C<4>}	119.9760	0.407	2	119.9760	0.166	2	119.2559	0.636	22	119.2409	0.445	76	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:3:2:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-3:In[6]-2:	C[6a](N[6]In[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](C[6a]C[6a]2)(C[6]C[6]C)(In[6]N[6])	C[6a](N[6]In[6]C[6])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|In<2>,1|C<4>,1|H<1>,2|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]C)(In[6]N[6]){1|H<1>,2|C<4>,4|C<3>}	119.2922	0.147	4	119.2922	0.021	4	119.2824	0.419	8	119.2409	0.445	76	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:3:2:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-3:In[6]-2:	C[6a](N[6]In[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3)	N[6](C[6a]C[6a]2)(C[6]C[6]C)(In[6]N[6])	C[6a](N[6]In[6]C[6])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3){1|In<2>,1|C<4>,1|H<1>,2|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]C)(In[6]N[6]){1|H<1>,2|C<4>,4|C<3>}	119.2725	0.978	4	119.2725	0.956	4	119.2824	0.419	8	119.2409	0.445	76	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:3:2:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-3:Si[6]-2:	C[6a](N[6]Si[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](C[6a]C[6a]2)(C[6]C[6]C)(Si[6]N[6])	C[6a](N[6]Si[6]C[6])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Si<2>,1|C<4>,1|H<1>,2|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]C)(Si[6]N[6]){1|H<1>,2|C<4>,4|C<3>}	119.1375	0.172	2	119.2067	0.018	4	119.2067	0.018	4	119.2409	0.445	76	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:3:2:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-3:Si[6]-2:	C[6a](N[6]Si[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](C[6a]C[6a]2)(C[6]C[6]C)(Si[6]N[6])	C[6a](N[6]Si[6]C[6])(C[6a]C[6a]C)2{1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Si<2>,1|C<4>,1|H<1>,2|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]C)(Si[6]N[6]){1|H<1>,2|C<4>,4|C<3>}	119.2760	0.075	2	119.2067	0.018	4	119.2067	0.018	4	119.2409	0.445	76	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C-4:	As[6]-3:As[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)2(N[6]As[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](As[6]N[6]Cl)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(N[6]As[6]2){2|Cl<1>,1|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){2|As<3>,1|C<3>,1|C<4>,1|H<1>}	N[6](As[6]N[6]Cl)2(C[6a]C[6a]2){1|As<2>,2|C<4>,4|C<3>}	119.1955	0.329	2	119.3777	0.702	8	119.1781	1.032	14	119.0321	1.140	513	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C-4:	As[6]-3:As[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)2(N[6]As[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](As[6]N[6]Cl)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(N[6]As[6]2){2|Cl<1>,1|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){2|As<3>,1|C<3>,1|C<4>,1|H<1>}	N[6](As[6]N[6]Cl)2(C[6a]C[6a]2){1|As<3>,2|C<4>,4|C<3>}	119.4385	0.971	6	119.3777	0.702	8	119.1781	1.032	14	119.0321	1.140	513	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C-4:	As[6]-3:As[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)2(N[6]As[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3)	N[6](As[6]N[6]Cl)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(N[6]As[6]2){2|Cl<1>,1|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3){2|As<3>,1|C<3>,1|C<4>,1|H<1>}	N[6](As[6]N[6]Cl)2(C[6a]C[6a]2){1|As<3>,2|C<4>,4|C<3>}	118.9118	1.246	6	118.9118	1.552	6	119.1781	1.032	14	119.0321	1.140	513	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C-4:	B[6]-3:B[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)2(N[6]B[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3)	N[6](B[6]C[6a]N[6])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(N[6]B[6]2){2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3){1|C<3>,2|B<3>,2|C<4>}	N[6](B[6]C[6a]N[6])2(C[6a]C[6a]2){1|C<2>,4|C<4>,6|C<3>}	119.6260	0.250	2	119.6260	0.063	2	119.6260	0.063	2	119.0321	1.140	513	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C-4:	B[6]-3:C[6a]-3:B[6]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]B[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]Cl)(CH3)	N[6](B[6]C[6,6]C)(C[6a]C[6a]2)(B[6]N[6]C)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]B[6]2){1|Cl<1>,1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]Cl)(CH3){1|C<3>,2|B<3>,2|H<1>}	N[6](B[6]C[6,6]C)(C[6a]C[6a]2)(B[6]N[6]C){1|Cr<9>,2|C<3>,2|H<1>,3|C<4>}	120.2040	1.102	2	120.2040	1.214	2	120.2040	1.214	2	119.0321	1.140	513	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3)	N[6](C[6]C[6,6]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,1|H<1>,1|N<3>,2|C<4>,2|O<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6]C[6,6]O)2(C[6a]C[6a]2){1|H<1>,2|C<3>,6|C<4>}	118.8959	0.536	7	118.8959	0.287	7	118.5600	0.897	29	119.0321	1.140	513	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](C[6]C[6,6a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(N[6]C[6]2){2|H<1>,2|O<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6]C[6,6a]O)2(C[6a]C[6a]2){2|C<4>,5|C<3>}	118.5631	1.122	15	118.6083	1.208	16	118.5600	0.897	29	119.0321	1.140	513	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](C[6]C[6,6a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(N[6]C[6]2){2|H<1>,2|O<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|H<1>,4|C<3>}	N[6](C[6]C[6,6a]O)2(C[6a]C[6a]2){1|C<4>,6|C<3>}	119.2870	0.000	1	118.6083	1.208	16	118.5600	0.897	29	119.0321	1.140	513	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](C[6]C[6a]C[6])(C[6]C[6,6a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(N[6]C[6]2){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6]C[6a]C[6])(C[6]C[6,6a]H)(C[6a]C[6a]2){1|Pd<4>,2|C<4>,6|C<3>}	117.5795	0.879	2	117.7225	0.503	4	118.5600	0.897	29	119.0321	1.140	513	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](C[6]C[6a]C[6])(C[6]C[6,6a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(N[6]C[6]2){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6]C[6a]C[6])(C[6]C[6,6a]H)(C[6a]C[6a]2){2|C<4>,7|C<3>}	117.8655	0.808	2	117.7225	0.503	4	118.5600	0.897	29	119.0321	1.140	513	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](C[6]C[6a]N[6])(C[6]C[6,6a]N)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(N[6]C[6]2){2|H<1>,2|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6]C[6a]N[6])(C[6]C[6,6a]N)(C[6a]C[6a]2){2|C<4>,6|C<3>}	118.6725	0.323	2	118.6725	0.104	2	118.5600	0.897	29	119.0321	1.140	513	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]C)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](C[6]C[6,6a]N)(C[6a]C[6a]2)(C[6]N[6]C)	C[6a](C[6a]C[6a]C)2(N[6]C[6]2){1|C<4>,2|C<3>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6]C[6,6a]N)(C[6a]C[6a]2)(C[6]N[6]C){2|C<4>,4|C<3>}	118.6037	0.068	4	118.6037	0.005	4	119.1975	1.152	17	119.0321	1.140	513	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]C)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3)	N[6](C[6]C[5,6]C)(C[6a]C[6a]2)(C[6]C[6]O)	C[6a](C[6a]C[6a]C)2(N[6]C[6]2){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6]C[5,6]C)(C[6a]C[6a]2)(C[6]C[6]O){1|H<1>,1|N<3>,3|C<3>,3|C<4>}	118.6215	0.272	2	118.6215	0.074	2	119.1975	1.152	17	119.0321	1.140	513	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]C)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3)	N[6](C[6]C[6]N[6])(C[6a]C[6a]2)(C[6]C[6]O)	C[6a](C[6a]C[6a]C)2(N[6]C[6]2){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	N[6](C[6]C[6]N[6])(C[6a]C[6a]2)(C[6]C[6]O){4|C<4>,6|C<3>}	119.5181	1.230	11	119.5181	1.514	11	119.1975	1.152	17	119.0321	1.140	513	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3)	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]N[6]S)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2){1|C<4>,1|N<3>,1|S<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]N[6]S){2|C<3>,2|C<4>,3|H<1>}	119.0390	0.000	1	119.0390	0.000	1	118.6895	0.882	117	119.0321	1.140	513	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]C)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6a](C[6a]C[6a]C)2(N[6]C[6]2){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){2|C<4>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]H)2{2|C<3>,2|H<1>,3|C<4>}	119.1290	0.041	2	119.1290	0.002	2	118.6895	0.882	117	119.0321	1.140	513	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]C)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](C[6a]C[6a]2)(C[6]C[6]Ir)(C[6]C[6]O)	C[6a](C[6a]C[6a]C)2(N[6]C[6]2){1|Ir<6>,1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]Ir)(C[6]C[6]O){2|C<3>,7|C<4>}	118.6460	0.293	2	118.6460	0.086	2	118.6895	0.882	117	119.0321	1.140	513	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]C)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]C)	C[6a](C[6a]C[6a]C)2(N[6]C[6]2){1|C<2>,1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]C){4|C<3>,4|C<4>}	118.3640	0.493	14	118.3640	0.243	14	118.6895	0.882	117	119.0321	1.140	513	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]C)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](C[6a]C[6a]2)(C[6]O[6]O)2	C[6a](C[6a]C[6a]C)2(N[6]C[6]2){1|C<3>,2|H<1>,2|O<1>,2|O<2>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]O[6]O)2{1|Si<4>,2|C<3>,2|C<4>}	118.6828	0.927	6	118.6828	0.859	6	118.6895	0.882	117	119.0321	1.140	513	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]C)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3)	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]O)	C[6a](C[6a]C[6a]C)2(N[6]C[6]2){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]O){1|N<3>,2|C<3>,2|H<1>,3|C<4>}	118.9375	0.052	2	118.9375	0.003	2	118.6895	0.882	117	119.0321	1.140	513	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]C)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3)	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]N[6]H)	C[6a](C[6a]C[6a]C)2(N[6]C[6]2){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]N[6]H){1|H<1>,3|C<3>,3|C<4>}	118.7325	0.108	2	118.7325	0.012	2	118.6895	0.882	117	119.0321	1.140	513	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]C)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3)	N[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]P)	C[6a](C[6a]C[6a]C)2(N[6]C[6]2){1|P<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]P){2|C<4>,2|H<1>,3|C<3>}	117.9160	0.081	2	117.9160	0.006	2	118.6895	0.882	117	119.0321	1.140	513	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]C)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3)	N[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6a](C[6a]C[6a]C)2(N[6]C[6]2){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]H)2{2|C<4>,2|H<1>,3|C<3>}	118.6035	0.967	2	118.5593	0.478	6	118.6895	0.882	117	119.0321	1.140	513	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]C)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3)	N[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6a](C[6a]C[6a]C)2(N[6]C[6]2){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]H)2{2|C<4>,5|C<3>}	117.9580	0.204	2	118.5593	0.478	6	118.6895	0.882	117	119.0321	1.140	513	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]C)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3)	N[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6a](C[6a]C[6a]C)2(N[6]C[6]2){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]H)2{3|C<4>,4|C<3>}	119.1165	0.258	2	118.5593	0.478	6	118.6895	0.882	117	119.0321	1.140	513	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]C)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3)	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]B)	C[6a](C[6a]C[6a]C)2(N[6]C[6]2){1|B<3>,1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]B){4|C<3>,4|C<4>}	118.9808	0.452	12	118.6610	0.530	24	118.6895	0.882	117	119.0321	1.140	513	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]C)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3)	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]B)	C[6a](C[6a]C[6a]C)2(N[6]C[6]2){1|B<4>,1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]B){4|C<3>,4|C<4>}	118.3412	0.825	12	118.6610	0.530	24	118.6895	0.882	117	119.0321	1.140	513	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]C)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3)	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]C)	C[6a](C[6a]C[6a]C)2(N[6]C[6]2){1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]C){3|C<3>,4|C<4>}	118.8125	2.618	2	118.9023	1.689	22	118.6895	0.882	117	119.0321	1.140	513	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]C)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3)	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]C)	C[6a](C[6a]C[6a]C)2(N[6]C[6]2){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]C){4|C<3>,4|C<4>}	118.9112	1.227	20	118.9023	1.689	22	118.6895	0.882	117	119.0321	1.140	513	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]C)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3)	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]H)	C[6a](C[6a]C[6a]C)2(N[6]C[6]2){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]H){4|C<3>,4|C<4>}	118.6240	0.797	4	118.6240	0.636	4	118.6895	0.882	117	119.0321	1.140	513	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]C)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3)	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]O)	C[6a](C[6a]C[6a]C)2(N[6]C[6]2){1|C<3>,1|C<4>,1|N<3>,2|H<1>,2|O<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]O){4|C<3>,4|C<4>}	118.6765	0.241	4	118.6765	0.058	4	118.6895	0.882	117	119.0321	1.140	513	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]C)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3)	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]P)	C[6a](C[6a]C[6a]C)2(N[6]C[6]2){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|P<2>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]P){4|C<3>,4|C<4>}	118.8448	0.481	4	118.8448	0.232	4	118.6895	0.882	117	119.0321	1.140	513	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]C)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3)	N[6](C[6a]C[6a]2)(C[6]N[6]Br)(C[6]C[6]O)	C[6a](C[6a]C[6a]C)2(N[6]C[6]2){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]N[6]Br)(C[6]C[6]O){4|C<3>,4|C<4>}	118.4513	1.155	4	118.4513	1.335	4	118.6895	0.882	117	119.0321	1.140	513	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]C)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3)	N[6](C[6a]C[6a]2)(C[6]N[6]Fe)(C[6]N[6]O)	C[6a](C[6a]C[6a]C)2(N[6]C[6]2){1|Fe<8>,1|C<3>,1|O<1>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]N[6]Fe)(C[6]N[6]O){3|C<4>,4|C<3>}	118.9295	1.924	4	118.9295	3.701	4	118.6895	0.882	117	119.0321	1.140	513	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]C)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3)	N[6](C[6a]C[6a]2)(C[6]N[6]Ir)(C[6]C[6]O)	C[6a](C[6a]C[6a]C)2(N[6]C[6]2){1|Ir<4>,1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]N[6]Ir)(C[6]C[6]O){4|C<3>,4|C<4>}	118.6320	1.535	4	118.7993	2.224	10	118.6895	0.882	117	119.0321	1.140	513	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]C)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3)	N[6](C[6a]C[6a]2)(C[6]N[6]Ir)(C[6]C[6]O)	C[6a](C[6a]C[6a]C)2(N[6]C[6]2){1|Ir<6>,1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]N[6]Ir)(C[6]C[6]O){3|C<3>,5|C<4>}	119.1260	2.338	2	118.7993	2.224	10	118.6895	0.882	117	119.0321	1.140	513	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]C)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3)	N[6](C[6a]C[6a]2)(C[6]N[6]Ir)(C[6]C[6]O)	C[6a](C[6a]C[6a]C)2(N[6]C[6]2){1|Ir<6>,1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]N[6]Ir)(C[6]C[6]O){4|C<3>,4|C<4>}	118.8033	1.544	4	118.7993	2.224	10	118.6895	0.882	117	119.0321	1.140	513	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]C)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3)	N[6](C[6a]C[6a]2)(C[6]N[6]Ni)(C[6]C[6]O)	C[6a](C[6a]C[6a]C)2(N[6]C[6]2){1|Ni<3>,1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]N[6]Ni)(C[6]C[6]O){4|C<3>,4|C<4>}	118.6385	0.743	4	118.6385	0.553	4	118.6895	0.882	117	119.0321	1.140	513	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P[6]-3:P[6]-3:	C[6a](C[6a]C[6a]C)2(N[6]P[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](C[6a]C[6a]2)(P[6]N[6]Cl)2	C[6a](C[6a]C[6a]C)2(N[6]P[6]2){2|Cl<1>,1|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|C<3>,1|C<4>,1|H<1>,2|P<3>}	N[6](C[6a]C[6a]2)(P[6]N[6]Cl)2{1|P<2>,2|C<4>,4|C<3>}	118.8315	0.084	2	118.8315	0.007	2	118.9559	0.866	20	119.0321	1.140	513	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P[6]-3:P[6]-3:	C[6a](C[6a]C[6a]C)2(N[6]P[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3)	N[6](C[6a]C[6a]2)(P[6]N[6]Br)2	C[6a](C[6a]C[6a]C)2(N[6]P[6]2){2|Br<1>,1|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|H<1>,2|P<3>}	N[6](C[6a]C[6a]2)(P[6]N[6]Br)2{1|P<3>,2|C<4>,4|C<3>}	118.8997	0.881	12	118.8997	0.777	12	118.9559	0.866	20	119.0321	1.140	513	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P[6]-3:P[6]-3:	C[6a](C[6a]C[6a]C)2(N[6]P[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3)	N[6](C[6a]C[6a]2)(P[6]N[6]Cl)2	C[6a](C[6a]C[6a]C)2(N[6]P[6]2){2|Cl<1>,1|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|H<1>,2|P<3>}	N[6](C[6a]C[6a]2)(P[6]N[6]Cl)2{1|P<3>,2|C<4>,4|C<3>}	119.1097	1.241	6	119.1097	1.540	6	118.9559	0.866	20	119.0321	1.140	513	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:N[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](C[6a]C[5,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6])(C[6a]C[5,6a]H)(CCCH)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]C){1|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[5,6a]H)(CCCH){1|H<1>,1|S<4>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|C<4>,1|S<2>,3|H<1>,6|C<3>}	118.4780	0.000	1	118.4780	0.000	1	119.6812	0.569	5	119.0321	1.140	513	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:N[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](C[6a]C[6,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6,6a]H)(CH3)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]C){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6,6a]H)(CH3){1|H<1>,1|S<4>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){2|C<4>,3|H<1>,6|C<3>}	119.9820	0.393	4	119.9820	0.155	4	119.6812	0.569	5	119.0321	1.140	513	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	As[6]-3:C[6a]-3:C[6]-3:	C[6a](N[6]As[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](As[6]N[6]As)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](N[6]As[6]C[6])(C[6a]C[6a]C)2{1|As<2>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|As<3>,1|C<4>,1|H<1>,2|C<3>}	N[6](As[6]N[6]As)(C[6a]C[6a]2)(C[6]C[6]H){2|C<4>,5|C<3>}	118.9657	1.509	4	118.9657	2.277	4	118.9657	2.277	4	119.0321	1.140	513	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	B[6]-3:C[6a]-3:C[6]-3:	C[6a](N[6]B[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](B[6]C[6a]N[6])(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]B[6]C[6])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|B<3>,1|C<4>,1|H<1>,2|C<3>}	N[6](B[6]C[6a]N[6])(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,6|C<3>}	118.4142	1.303	8	118.4142	1.698	8	118.4142	1.698	8	119.0321	1.140	513	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[4,6]-3:C[6a]-3:C[6]-3:	C[6a](N[6]C[4,6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3)	N[6](C[4,6]N[4,6]C[4])(C[6a]C[6a]2)(C[6]C[6]O)	C[6a](N[6]C[4,6]C[6])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	N[6](C[4,6]N[4,6]C[4])(C[6a]C[6a]2)(C[6]C[6]O){1|P<3>,3|C<3>,5|C<4>}	118.6110	0.036	4	118.6110	0.001	4	118.6110	0.001	4	119.0321	1.140	513	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5,6]-3:C[6a]-3:C[6]-3:	C[6a](N[6]C[5,6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3)	N[6](C[5,6]N[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]O)	C[6a](N[6]C[5,6]C[6])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	N[6](C[5,6]N[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]O){1|P<3>,3|C<3>,6|C<4>}	119.1270	0.553	2	118.9932	0.152	6	118.9932	0.152	6	119.0321	1.140	513	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5,6]-3:C[6a]-3:C[6]-3:	C[6a](N[6]C[5,6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3)	N[6](C[5,6]N[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]O)	C[6a](N[6]C[5,6]C[6])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	N[6](C[5,6]N[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]O){1|P<4>,4|C<3>,5|C<4>}	119.0690	0.260	2	118.9932	0.152	6	118.9932	0.152	6	119.0321	1.140	513	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5,6]-3:C[6a]-3:C[6]-3:	C[6a](N[6]C[5,6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3)	N[6](C[5,6]N[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]O)	C[6a](N[6]C[5,6]C[6])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	N[6](C[5,6]N[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]O){5|C<3>,5|C<4>}	118.7835	0.500	2	118.9932	0.152	6	118.9932	0.152	6	119.0321	1.140	513	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6,6]-3:C[6a]-3:Ge[6]-3:	C[6a](N[6]C[6,6]Ge[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(Ge[6]N[6]Cl)	C[6a](N[6]C[6,6]Ge[6])(C[6a]C[6a]C)2{1|Cl<1>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Ge<3>,1|C<4>,1|H<1>,2|C<3>}	N[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(Ge[6]N[6]Cl){2|H<1>,4|C<3>,4|C<4>}	119.3250	0.228	2	119.3250	0.052	2	119.4348	0.127	6	119.0321	1.140	513	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6,6]-3:C[6a]-3:Ge[6]-3:	C[6a](N[6]C[6,6]Ge[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(Ge[6]N[6]N)	C[6a](N[6]C[6,6]Ge[6])(C[6a]C[6a]C)2{1|C<4>,2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Ge<3>,1|C<4>,1|H<1>,2|C<3>}	N[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(Ge[6]N[6]N){2|H<1>,4|C<3>,4|C<4>}	119.5270	0.700	2	119.5270	0.490	2	119.4348	0.127	6	119.0321	1.140	513	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6,6]-3:C[6a]-3:Ge[6]-3:	C[6a](N[6]C[6,6]Ge[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(Ge[6]N[6]O)	C[6a](N[6]C[6,6]Ge[6])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Ge<3>,1|C<4>,1|H<1>,2|C<3>}	N[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(Ge[6]N[6]O){2|H<1>,4|C<3>,4|C<4>}	119.4525	0.221	2	119.4525	0.049	2	119.4348	0.127	6	119.0321	1.140	513	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]C)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|S<2>,2|C<4>,2|H<1>,6|C<3>}	118.7860	0.066	2	118.7860	0.004	2	118.7860	0.004	2	119.0321	1.140	513	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2)	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,1|N<3>,5|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2){1|C<4>,1|P<4>,3|H<1>,6|C<3>}	118.0320	0.000	1	118.0320	0.000	1	118.0320	0.000	1	119.0321	1.140	513	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]C)2{3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|N<2>,2|C<4>,2|H<1>,4|C<3>}	117.3790	0.708	6	117.3790	0.501	6	117.6191	0.627	8	119.0321	1.140	513	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3)	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]Ti)	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]C)2{1|Ti<11>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]Ti){1|F<1>,2|C<4>,5|C<3>}	118.3395	0.708	2	118.3395	0.501	2	117.6191	0.627	8	119.0321	1.140	513	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6a]-3:Ge[6]-3:	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](C[6]C[6,6]C[6a])(C[6a]C[6a]2)(Ge[6]N[6]Cl)	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2{1|Cl<1>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Ge<3>,1|C<4>,1|H<1>,2|C<3>}	N[6](C[6]C[6,6]C[6a])(C[6a]C[6a]2)(Ge[6]N[6]Cl){3|C<4>,6|C<3>}	119.3030	1.273	2	119.3030	1.620	2	119.4268	1.381	6	119.0321	1.140	513	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6a]-3:Ge[6]-3:	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](C[6]C[6,6]C[6a])(C[6a]C[6a]2)(Ge[6]N[6]N)	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2{2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Ge<3>,1|C<4>,1|H<1>,2|C<3>}	N[6](C[6]C[6,6]C[6a])(C[6a]C[6a]2)(Ge[6]N[6]N){3|C<4>,6|C<3>}	119.6205	1.955	2	119.6205	3.823	2	119.4268	1.381	6	119.0321	1.140	513	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6a]-3:Ge[6]-3:	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](C[6]C[6,6]C[6a])(C[6a]C[6a]2)(Ge[6]N[6]O)	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2{1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Ge<3>,1|C<4>,1|H<1>,2|C<3>}	N[6](C[6]C[6,6]C[6a])(C[6a]C[6a]2)(Ge[6]N[6]O){3|C<4>,6|C<3>}	119.3570	1.160	2	119.3570	1.345	2	119.4268	1.381	6	119.0321	1.140	513	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:B[6]-3:C[6]-3:	C[6a](N[6]B[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](C[6a]C[6a]2)(B[6]N[6]F)(C[6]C[6]C)	C[6a](N[6]B[6]C[6])(C[6a]C[6a]C)2{1|C<4>,1|F<1>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|B<3>,1|C<4>,1|H<1>,2|C<3>}	N[6](C[6a]C[6a]2)(B[6]N[6]F)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	119.4068	1.830	4	119.4068	3.348	4	119.3963	2.738	10	119.0321	1.140	513	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:B[6]-3:C[6]-3:	C[6a](N[6]B[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3)	N[6](C[6a]C[6a]2)(B[6]N[6]N)(C[6]N[6]O)	C[6a](N[6]B[6]C[6])(C[6a]C[6a]C)2{1|C<3>,1|O<1>,2|H<1>,3|N<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3){1|B<3>,1|C<4>,1|H<1>,2|C<3>}	N[6](C[6a]C[6a]2)(B[6]N[6]N)(C[6]N[6]O){1|Ge<2>,3|C<3>,3|C<4>}	119.3893	1.709	6	119.3893	2.920	6	119.3963	2.738	10	119.0321	1.140	513	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-3:P[6]-3:	C[6a](N[6]C[6]P[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](C[6a]C[6a]2)(C[6]C[6]H)(P[6]N[6]I)	C[6a](N[6]C[6]P[6])(C[6a]C[6a]C)2{1|I<1>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,1|P<3>,2|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]H)(P[6]N[6]I){2|C<4>,5|C<3>}	118.4557	0.709	4	118.4557	0.503	4	118.4557	0.503	4	119.0321	1.140	513	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Ga[6]-3:C[6]-3:	C[6a](N[6]Ga[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](C[6a]C[6a]2)(Ga[6]N[6]Al)(C[6]C[6]C)	C[6a](N[6]Ga[6]C[6])(C[6a]C[6a]C)2{1|Al<4>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Ga<3>,1|C<4>,1|H<1>,2|C<3>}	N[6](C[6a]C[6a]2)(Ga[6]N[6]Al)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	118.9603	1.530	4	118.9603	2.340	4	119.1480	1.197	52	119.0321	1.140	513	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Ga[6]-3:C[6]-3:	C[6a](N[6]Ga[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](C[6a]C[6a]2)(Ga[6]N[6]B)(C[6]C[6]C)	C[6a](N[6]Ga[6]C[6])(C[6a]C[6a]C)2{1|B<4>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Ga<3>,1|C<4>,1|H<1>,2|C<3>}	N[6](C[6a]C[6a]2)(Ga[6]N[6]B)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	118.7915	1.177	8	118.7915	1.386	8	119.1480	1.197	52	119.0321	1.140	513	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Ga[6]-3:C[6]-3:	C[6a](N[6]Ga[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](C[6a]C[6a]2)(Ga[6]N[6]Co)(C[6]C[6]C)	C[6a](N[6]Ga[6]C[6])(C[6a]C[6a]C)2{1|Co<4>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Ga<3>,1|C<4>,1|H<1>,2|C<3>}	N[6](C[6a]C[6a]2)(Ga[6]N[6]Co)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	118.9301	0.248	8	118.9301	0.062	8	119.1480	1.197	52	119.0321	1.140	513	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Ga[6]-3:C[6]-3:	C[6a](N[6]Ga[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](C[6a]C[6a]2)(Ga[6]N[6]Ga)(C[6]C[6]C)	C[6a](N[6]Ga[6]C[6])(C[6a]C[6a]C)2{1|Ga<4>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Ga<3>,1|C<4>,1|H<1>,2|C<3>}	N[6](C[6a]C[6a]2)(Ga[6]N[6]Ga)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	118.9835	1.524	4	118.9835	2.322	4	119.1480	1.197	52	119.0321	1.140	513	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Ga[6]-3:C[6]-3:	C[6a](N[6]Ga[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](C[6a]C[6a]2)(Ga[6]N[6]Ni)(C[6]C[6]C)	C[6a](N[6]Ga[6]C[6])(C[6a]C[6a]C)2{1|Ni<5>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Ga<3>,1|C<4>,1|H<1>,2|C<3>}	N[6](C[6a]C[6a]2)(Ga[6]N[6]Ni)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	119.0610	1.080	4	119.2374	1.279	16	119.1480	1.197	52	119.0321	1.140	513	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Ga[6]-3:C[6]-3:	C[6a](N[6]Ga[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](C[6a]C[6a]2)(Ga[6]N[6]Ni)(C[6]C[6]C)	C[6a](N[6]Ga[6]C[6])(C[6a]C[6a]C)2{1|Ni<7>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Ga<3>,1|C<4>,1|H<1>,2|C<3>}	N[6](C[6a]C[6a]2)(Ga[6]N[6]Ni)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	119.2962	1.188	12	119.2374	1.279	16	119.1480	1.197	52	119.0321	1.140	513	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Ga[6]-3:C[6]-3:	C[6a](N[6]Ga[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](C[6a]C[6a]2)(Ga[6]N[6]Rh)(C[6]C[6]C)	C[6a](N[6]Ga[6]C[6])(C[6a]C[6a]C)2{1|Rh<4>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Ga<3>,1|C<4>,1|H<1>,2|C<3>}	N[6](C[6a]C[6a]2)(Ga[6]N[6]Rh)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	119.4095	1.650	4	119.4095	2.721	4	119.1480	1.197	52	119.0321	1.140	513	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Ga[6]-3:C[6]-3:	C[6a](N[6]Ga[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](C[6a]C[6a]2)(Ga[6]N[6]W)(C[6]C[6]C)	C[6a](N[6]Ga[6]C[6])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,1|W<6>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Ga<3>,1|C<4>,1|H<1>,2|C<3>}	N[6](C[6a]C[6a]2)(Ga[6]N[6]W)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	119.2460	0.963	4	119.2460	0.928	4	119.1480	1.197	52	119.0321	1.140	513	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Ga[6]-3:C[6]-3:	C[6a](N[6]Ga[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3)	N[6](C[6a]C[6a]2)(Ga[6]N[6]Ga)(C[6]C[6]C)	C[6a](N[6]Ga[6]C[6])(C[6a]C[6a]C)2{1|Ga<4>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3){1|Ga<3>,2|C<3>,2|C<4>}	N[6](C[6a]C[6a]2)(Ga[6]N[6]Ga)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	119.9320	0.864	4	119.9320	0.746	4	119.1480	1.197	52	119.0321	1.140	513	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Ge[6]-3:C[6]-3:	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](C[6a]C[6a]2)(Ge[6]N[6]C)(C[6]C[6]C)	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2{1|C<2>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Ge<3>,1|C<4>,1|H<1>,2|C<3>}	N[6](C[6a]C[6a]2)(Ge[6]N[6]C)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	119.3715	0.614	2	119.4914	0.958	22	119.2638	0.997	164	119.0321	1.140	513	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Ge[6]-3:C[6]-3:	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](C[6a]C[6a]2)(Ge[6]N[6]C)(C[6]C[6]C)	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Ge<3>,1|C<4>,1|H<1>,2|C<3>}	N[6](C[6a]C[6a]2)(Ge[6]N[6]C)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	119.5033	1.019	20	119.4914	0.958	22	119.2638	0.997	164	119.0321	1.140	513	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Ge[6]-3:C[6]-3:	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](C[6a]C[6a]2)(Ge[6]N[6]Cl)(C[6]C[6]C)	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2{1|Cl<1>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Ge<3>,1|C<4>,1|H<1>,2|C<3>}	N[6](C[6a]C[6a]2)(Ge[6]N[6]Cl)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	119.3341	1.054	16	119.3341	1.111	16	119.2638	0.997	164	119.0321	1.140	513	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Ge[6]-3:C[6]-3:	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](C[6a]C[6a]2)(Ge[6]N[6]N)(C[6]C[6]C)	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2{1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Ge<3>,1|C<4>,1|H<1>,2|C<3>}	N[6](C[6a]C[6a]2)(Ge[6]N[6]N)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	119.2707	0.788	12	119.3223	1.374	32	119.2638	0.997	164	119.0321	1.140	513	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Ge[6]-3:C[6]-3:	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](C[6a]C[6a]2)(Ge[6]N[6]N)(C[6]C[6]C)	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2{1|C<4>,2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Ge<3>,1|C<4>,1|H<1>,2|C<3>}	N[6](C[6a]C[6a]2)(Ge[6]N[6]N)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	119.3533	1.371	20	119.3223	1.374	32	119.2638	0.997	164	119.0321	1.140	513	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Ge[6]-3:C[6]-3:	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](C[6a]C[6a]2)(Ge[6]N[6]O)(C[6]C[6]C)	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2{1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Ge<3>,1|C<4>,1|H<1>,2|C<3>}	N[6](C[6a]C[6a]2)(Ge[6]N[6]O)(C[6]C[6]C){2|C<4>,2|H<1>,4|C<3>}	118.8621	1.734	8	119.1552	1.009	42	119.2638	0.997	164	119.0321	1.140	513	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Ge[6]-3:C[6]-3:	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](C[6a]C[6a]2)(Ge[6]N[6]O)(C[6]C[6]C)	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Ge<3>,1|C<4>,1|H<1>,2|C<3>}	N[6](C[6a]C[6a]2)(Ge[6]N[6]O)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	119.2242	0.768	34	119.1552	1.009	42	119.2638	0.997	164	119.0321	1.140	513	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Ge[6]-3:C[6]-3:	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](C[6a]C[6a]2)(Ge[6]N[6]P)(C[6]C[6]C)	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,1|P<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Ge<3>,1|C<4>,1|H<1>,2|C<3>}	N[6](C[6a]C[6a]2)(Ge[6]N[6]P)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	119.5593	1.138	4	119.1375	0.926	24	119.2638	0.997	164	119.0321	1.140	513	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Ge[6]-3:C[6]-3:	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](C[6a]C[6a]2)(Ge[6]N[6]P)(C[6]C[6]C)	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,1|P<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Ge<3>,1|C<4>,1|H<1>,2|C<3>}	N[6](C[6a]C[6a]2)(Ge[6]N[6]P)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	119.0532	0.934	20	119.1375	0.926	24	119.2638	0.997	164	119.0321	1.140	513	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Ge[6]-3:C[6]-3:	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](C[6a]C[6a]2)(Ge[6]N[6]Se)(C[6]C[6]C)	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2{1|Se<2>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Ge<3>,1|C<4>,1|H<1>,2|C<3>}	N[6](C[6a]C[6a]2)(Ge[6]N[6]Se)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	119.1493	0.596	11	119.1493	0.355	11	119.2638	0.997	164	119.0321	1.140	513	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Ge[6]-3:C[6]-3:	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](C[6a]C[6a]2)(Ge[6]N[6]Te)(C[6]C[6]C)	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2{1|Te<2>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Ge<3>,1|C<4>,1|H<1>,2|C<3>}	N[6](C[6a]C[6a]2)(Ge[6]N[6]Te)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	118.8530	0.761	4	118.8530	0.580	4	119.2638	0.997	164	119.0321	1.140	513	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Ge[6]-3:C[6]-3:	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](C[6a]C[6a]2)(Ge[6]O[6]Cl)(C[6]C[6]C)	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2{1|Cl<1>,1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Ge<3>,1|C<4>,1|H<1>,2|C<3>}	N[6](C[6a]C[6a]2)(Ge[6]O[6]Cl)(C[6]C[6]C){1|H<1>,2|C<4>,3|C<3>}	118.8780	1.369	2	118.8780	1.874	2	119.2638	0.997	164	119.0321	1.140	513	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Ge[6]-3:C[6]-3:	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3)	N[6](C[6a]C[6a]2)(Ge[6]N[6]C)(C[6]C[6]C)	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3){1|Ge<3>,2|C<3>,2|C<4>}	N[6](C[6a]C[6a]2)(Ge[6]N[6]C)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	119.8097	1.630	4	119.8097	2.656	4	119.2638	0.997	164	119.0321	1.140	513	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Ge[6]-3:C[6]-3:	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3)	N[6](C[6a]C[6a]2)(Ge[6]N[6]H)(C[6]C[6]C)	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3){1|Ge<3>,2|C<3>,2|C<4>}	N[6](C[6a]C[6a]2)(Ge[6]N[6]H)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	119.4853	0.103	3	119.4853	0.011	3	119.2638	0.997	164	119.0321	1.140	513	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Ge[6]-3:C[6]-3:	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3)	N[6](C[6a]C[6a]2)(Ge[6]N[6]O)(C[6]C[6]C)	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3){1|Ge<3>,2|C<3>,2|C<4>}	N[6](C[6a]C[6a]2)(Ge[6]N[6]O)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	119.3653	0.450	4	119.3653	0.202	4	119.2638	0.997	164	119.0321	1.140	513	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P[6]-3:C[6]-3:	C[6a](N[6]C[6]P[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](C[6a]C[6a]2)(P[6]C[6]Cl)(C[6]C[6]C)	C[6a](N[6]C[6]P[6])(C[6a]C[6a]C)2{1|Cl<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,1|P<3>,2|C<3>}	N[6](C[6a]C[6a]2)(P[6]C[6]Cl)(C[6]C[6]C){2|C<4>,3|C<3>,3|H<1>}	118.7220	0.158	2	118.7220	0.025	2	118.8145	0.581	6	119.0321	1.140	513	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P[6]-3:C[6]-3:	C[6a](N[6]C[6]P[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](C[6a]C[6a]2)(P[6]N[6]Br)(C[6]C[6]C)	C[6a](N[6]C[6]P[6])(C[6a]C[6a]C)2{1|Br<1>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,1|P<3>,2|C<3>}	N[6](C[6a]C[6a]2)(P[6]N[6]Br)(C[6]C[6]C){3|C<4>,4|C<3>}	118.8607	0.975	4	118.8607	0.951	4	118.8145	0.581	6	119.0321	1.140	513	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Si[6]-3:C[6]-3:	C[6a](N[6]Si[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](C[6a]C[6a]2)(Si[6]N[6]Ni)(C[6]C[6]C)	C[6a](N[6]Si[6]C[6])(C[6a]C[6a]C)2{1|Ni<4>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Si<3>,1|C<4>,1|H<1>,2|C<3>}	N[6](C[6a]C[6a]2)(Si[6]N[6]Ni)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	118.3210	0.765	8	118.3210	0.586	8	118.8554	1.343	12	119.0321	1.140	513	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Si[6]-3:C[6]-3:	C[6a](N[6]Si[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](C[6a]C[6a]2)(Si[6]N[6]P)(C[6]C[6]N)	C[6a](N[6]Si[6]C[6])(C[6a]C[6a]C)2{1|P<3>,2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Si<3>,1|C<4>,1|H<1>,2|C<3>}	N[6](C[6a]C[6a]2)(Si[6]N[6]P)(C[6]C[6]N){1|H<1>,2|C<4>,4|C<3>}	119.9243	1.128	4	119.9243	1.273	4	118.8554	1.343	12	119.0321	1.140	513	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Ge[6]-3:C[6a]-3:C[6]-3:	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](Ge[6]C[5]N[6])(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Ge<3>,1|C<4>,1|H<1>,2|C<3>}	N[6](Ge[6]C[5]N[6])(C[6a]C[6a]2)(C[6]C[6]C){2|C<4>,2|H<1>,6|C<3>}	119.0870	0.255	4	119.0870	0.065	4	119.2440	0.099	8	119.0321	1.140	513	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Ge[6]-3:C[6a]-3:C[6]-3:	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](Ge[6]Ge[5]N[6])(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2{1|Ge<3>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Ge<3>,1|C<4>,1|H<1>,2|C<3>}	N[6](Ge[6]Ge[5]N[6])(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,1|N<3>,2|C<4>,5|C<3>}	119.4010	0.315	4	119.4010	0.099	4	119.2440	0.099	8	119.0321	1.140	513	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(NCHH)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(NCHH){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|N<3>,1|N<4>,3|H<1>,6|C<3>}	120.4430	0.000	1	120.4430	0.000	1	120.4430	0.000	1	119.0321	1.140	513	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:S-4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(SC[6a]OO)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]S){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(SC[6a]OO){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|C<4>,1|S<4>,3|H<1>,6|C<3>}	121.7832	0.773	5	121.7832	0.597	5	121.7832	0.597	5	119.0321	1.140	513	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CC3)	N[6](C[6]C[4,6,6]O)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CC3){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6]C[4,6,6]O)(C[6a]C[6a]2)(C[6]C[6]HH){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	123.6140	0.377	3	123.6140	0.142	3	119.6865	6.278	19	119.8606	4.926	27	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3)	N[6](C[6]C[3,6]O)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6]C[3,6]O)(C[6a]C[6a]2)(C[6]C[6]HH){1|C<2>,1|H<1>,2|C<4>,4|C<3>}	119.9050	0.000	1	120.0525	0.044	2	119.6865	6.278	19	119.8606	4.926	27	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3)	N[6](C[6]C[3,6]O)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6]C[3,6]O)(C[6a]C[6a]2)(C[6]C[6]HH){1|C<2>,1|H<1>,3|C<3>,3|C<4>}	120.2000	0.000	1	120.0525	0.044	2	119.6865	6.278	19	119.8606	4.926	27	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]C)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](C[6]B[5a]B[6])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6a](C[6a]C[6a]C)2(N[6]C[6]2){1|B<3>,1|B<4>,1|C<3>,1|C<4>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6]B[5a]B[6])(C[6a]C[6a]2)(C[6]C[6]HH){1|N<3>,2|C<3>,2|C<4>,2|H<1>,4|O<2>}	117.9090	0.870	2	117.9090	0.756	2	119.6865	6.278	19	119.8606	4.926	27	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]C)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](C[6]C[3x6]Rh)(C[6a]C[6a]2)(C[6]C[6]CC)	C[6a](C[6a]C[6a]C)2(N[6]C[6]2){1|Rh<4>,1|C<3>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6]C[3x6]Rh)(C[6a]C[6a]2)(C[6]C[6]CC){2|C<3>,2|H<1>,5|C<4>}	119.1660	4.912	2	119.1660	24.123	2	119.6865	6.278	19	119.8606	4.926	27	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]C)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](C[6]N[6,6]Pd)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6a](C[6a]C[6a]C)2(N[6]C[6]2){1|Pd<4>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6]N[6,6]Pd)(C[6a]C[6a]2)(C[6]C[6]HH){2|C<3>,2|H<1>,4|C<4>}	119.0015	2.809	2	119.0015	7.892	2	119.6865	6.278	19	119.8606	4.926	27	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]C)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3)	N[6](C[6]C[6,6]O)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6a](C[6a]C[6a]C)2(N[6]C[6]2){1|O<1>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6]C[6,6]O)(C[6a]C[6a]2)(C[6]C[6]HH){1|N<3>,1|O<1>,2|C<4>,3|C<3>}	118.6725	1.692	2	118.6725	2.863	2	119.6865	6.278	19	119.8606	4.926	27	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]C)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3)	N[6](C[6]C[6,6a]Pd)(C[6a]C[6a]2)(C[6]N[6]CC)	C[6a](C[6a]C[6a]C)2(N[6]C[6]2){1|Pd<4>,1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6]C[6,6a]Pd)(C[6a]C[6a]2)(C[6]N[6]CC){1|H<1>,2|C<4>,4|C<3>}	118.9332	1.856	6	118.9332	3.447	6	119.6865	6.278	19	119.8606	4.926	27	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:3:4:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6a]-3:B[6]-4:	C[6a](N[6]C[6,6a]B[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(B[6]N[6]FF)	C[6a](N[6]C[6,6a]B[6])(C[6a]C[6a]C)2{1|N<4>,2|F<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|B<4>,1|C<4>,1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(B[6]N[6]FF){1|H<1>,4|C<3>,5|C<4>}	119.5230	0.197	2	119.5230	0.039	2	119.5230	0.039	2	119.8606	4.926	27	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:3:4:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Ge[6]-3:C[6a]-3:C[6]-4:	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3)	N[6](Ge[6]C[5,6]Cl)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2{1|Cl<1>,1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3){1|Ge<3>,1|C<3>,3|C<4>}	N[6](Ge[6]C[5,6]Cl)(C[6a]C[6a]2)(C[6]C[6]HH){2|C<3>,2|C<4>,2|H<1>,2|N<3>}	120.4657	1.946	4	120.4657	3.785	4	120.5242	2.317	6	119.8606	4.926	27	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:3:4:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Ge[6]-3:C[6a]-3:C[6]-4:	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3)	N[6](Ge[6]C[5,6]O)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3){1|Ge<3>,1|C<3>,3|C<4>}	N[6](Ge[6]C[5,6]O)(C[6a]C[6a]2)(C[6]C[6]HH){2|C<3>,2|C<4>,2|H<1>,2|N<3>}	120.6410	0.434	2	120.6410	0.188	2	120.5242	2.317	6	119.8606	4.926	27	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:4:2:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-4:C[6]-2:	C[6a](C[6a]C[6a]C)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[3x6])	C[6a](C[6a]C[6a]C)2(N[6]C[6]2){1|C<3>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|C<2>,1|C<3>,1|H<1>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[3x6]){2|C<3>,2|H<1>,5|C<4>}	118.9340	0.202	2	118.9340	0.041	2	119.0186	0.233	14	119.0312	0.604	17	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:4:2:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-4:C[6]-2:	C[6a](C[6a]C[6a]C)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6])	C[6a](C[6a]C[6a]C)2(N[6]C[6]2){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|C<2>,1|C<3>,1|H<1>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]){2|H<1>,3|C<3>,3|C<4>}	118.7455	0.090	4	118.7455	0.008	4	119.0186	0.233	14	119.0312	0.604	17	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:4:2:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-4:C[6]-2:	C[6a](C[6a]C[6a]C)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6])	C[6a](C[6a]C[6a]C)2(N[6]C[6]2){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3){1|C<2>,1|C<3>,3|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]){1|P<3>,2|C<3>,2|H<1>,3|C<4>}	119.4853	0.397	4	119.1762	0.350	8	119.0186	0.233	14	119.0312	0.604	17	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:4:2:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-4:C[6]-2:	C[6a](C[6a]C[6a]C)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6])	C[6a](C[6a]C[6a]C)2(N[6]C[6]2){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3){1|C<2>,1|C<3>,3|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]){2|H<1>,3|C<3>,3|C<4>}	119.3520	0.030	2	119.1762	0.350	8	119.0186	0.233	14	119.0312	0.604	17	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:4:2:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-4:C[6]-2:	C[6a](C[6a]C[6a]C)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6])	C[6a](C[6a]C[6a]C)2(N[6]C[6]2){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3){1|C<2>,1|C<3>,3|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]){4|C<3>,4|C<4>}	118.3825	0.520	2	119.1762	0.350	8	119.0186	0.233	14	119.0312	0.604	17	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:4:2:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-4:Ge[6]-2:	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3)	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(Ge[6]N[6])	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3){1|Ge<2>,1|C<3>,3|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(Ge[6]N[6]){1|H<1>,2|C<4>,4|C<3>}	120.1330	0.330	2	120.1330	0.109	2	120.1330	0.109	2	119.0312	0.604	17	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:4:2:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-4:O[6]-2:	C[6a](N[6]C[6]O[6])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])	C[6a](N[6]C[6]O[6])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6]){1|O<2>,1|P<4>,2|C<3>,2|C<4>,3|H<1>}	117.0050	0.000	1	117.0050	0.000	1	117.0050	0.000	1	119.0312	0.604	17	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:4:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-4:C[6]-3:	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]2)(N[6]C[6]2)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N[6])(CH3)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]O[6]O)	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]2)(N[6]C[6]2){1|O<1>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N[6])(CH3){2|H<1>,3|C<3>,3|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]O[6]O){3|C<3>,4|C<4>}	118.7730	0.096	2	118.7730	0.009	2	118.7730	0.009	2	119.0412	0.763	263	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:4:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-4:C[6]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCHH)	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCHH){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	119.6850	0.000	1	119.6850	0.000	1	119.0115	0.748	205	119.0412	0.763	263	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:4:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-4:C[6]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCHH)	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]N[6]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCHH){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]N[6]H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	119.2760	0.000	1	119.2760	0.000	1	119.0115	0.748	205	119.0412	0.763	263	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:4:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-4:C[6]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]Pd)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2){1|Pd<5>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]Pd){2|C<4>,3|C<3>,3|H<1>}	120.3795	0.231	2	120.3795	0.053	2	119.0115	0.748	205	119.0412	0.763	263	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:4:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-4:C[6]-3:	C[6a](C[6a]C[6a]C)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]N[6]H)	C[6a](C[6a]C[6a]C)2(N[6]C[6]2){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]N[6]H){2|H<1>,3|C<3>,3|C<4>}	118.6960	0.359	2	118.6960	0.129	2	119.0115	0.748	205	119.0412	0.763	263	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:4:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-4:C[6]-3:	C[6a](C[6a]C[6a]C)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]Al)	C[6a](C[6a]C[6a]C)2(N[6]C[6]2){1|Al<4>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]Al){2|H<1>,3|C<3>,3|C<4>}	118.8158	0.265	4	118.8158	0.070	4	119.0115	0.748	205	119.0412	0.763	263	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:4:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-4:C[6]-3:	C[6a](C[6a]C[6a]C)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]Br)	C[6a](C[6a]C[6a]C)2(N[6]C[6]2){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]Br){2|H<1>,3|C<3>,3|C<4>}	118.1119	0.572	15	118.1119	0.328	15	119.0115	0.748	205	119.0412	0.763	263	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:4:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-4:C[6]-3:	C[6a](C[6a]C[6a]C)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]H)	C[6a](C[6a]C[6a]C)2(N[6]C[6]2){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]H){2|C<3>,2|H<1>,4|C<4>}	118.4835	0.415	4	118.4368	0.236	8	119.0115	0.748	205	119.0412	0.763	263	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:4:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-4:C[6]-3:	C[6a](C[6a]C[6a]C)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]H)	C[6a](C[6a]C[6a]C)2(N[6]C[6]2){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]H){2|H<1>,3|C<3>,3|C<4>}	118.3900	0.611	4	118.4368	0.236	8	119.0115	0.748	205	119.0412	0.763	263	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:4:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-4:C[6]-3:	C[6a](C[6a]C[6a]C)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]Ir)	C[6a](C[6a]C[6a]C)2(N[6]C[6]2){1|Ir<6>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]Ir){2|H<1>,3|C<3>,3|C<4>}	119.1305	2.131	2	119.1305	4.539	2	119.0115	0.748	205	119.0412	0.763	263	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:4:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-4:C[6]-3:	C[6a](C[6a]C[6a]C)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]P)	C[6a](C[6a]C[6a]C)2(N[6]C[6]2){1|C<3>,1|C<4>,1|N<3>,1|P<3>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]P){2|H<1>,3|C<3>,3|C<4>}	118.7022	0.468	4	118.7022	0.219	4	119.0115	0.748	205	119.0412	0.763	263	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:4:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-4:C[6]-3:	C[6a](C[6a]C[6a]C)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]Rh)	C[6a](C[6a]C[6a]C)2(N[6]C[6]2){1|Rh<6>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]Rh){2|H<1>,3|C<3>,3|C<4>}	118.8970	1.954	2	118.8970	3.820	2	119.0115	0.748	205	119.0412	0.763	263	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:4:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-4:C[6]-3:	C[6a](C[6a]C[6a]C)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]Sb)	C[6a](C[6a]C[6a]C)2(N[6]C[6]2){1|Sb<4>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]Sb){2|H<1>,3|C<3>,3|C<4>}	118.4917	0.751	4	118.4917	0.564	4	119.0115	0.748	205	119.0412	0.763	263	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:4:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-4:C[6]-3:	C[6a](C[6a]C[6a]C)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]Al)	C[6a](C[6a]C[6a]C)2(N[6]C[6]2){1|Al<4>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3){2|C<3>,3|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]Al){2|H<1>,3|C<3>,3|C<4>}	118.9903	0.677	16	118.9903	0.458	16	119.0115	0.748	205	119.0412	0.763	263	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:4:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-4:C[6]-3:	C[6a](C[6a]C[6a]C)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]B)	C[6a](C[6a]C[6a]C)2(N[6]C[6]2){1|B<3>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3){2|C<3>,3|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]B){2|H<1>,3|C<3>,3|C<4>}	118.6099	0.426	8	118.6933	0.658	12	119.0115	0.748	205	119.0412	0.763	263	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:4:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-4:C[6]-3:	C[6a](C[6a]C[6a]C)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]B)	C[6a](C[6a]C[6a]C)2(N[6]C[6]2){1|B<4>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3){2|C<3>,3|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]B){2|H<1>,3|C<3>,3|C<4>}	118.8602	1.390	4	118.6933	0.658	12	119.0115	0.748	205	119.0412	0.763	263	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:4:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-4:C[6]-3:	C[6a](C[6a]C[6a]C)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]Br)	C[6a](C[6a]C[6a]C)2(N[6]C[6]2){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3){2|C<3>,3|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]Br){2|H<1>,3|C<3>,3|C<4>}	118.4800	0.626	4	118.4800	0.392	4	119.0115	0.748	205	119.0412	0.763	263	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:4:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-4:C[6]-3:	C[6a](C[6a]C[6a]C)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]Ga)	C[6a](C[6a]C[6a]C)2(N[6]C[6]2){1|Ga<4>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3){2|C<3>,3|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]Ga){2|H<1>,3|C<3>,3|C<4>}	118.8826	0.422	8	118.8826	0.178	8	119.0115	0.748	205	119.0412	0.763	263	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:4:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-4:C[6]-3:	C[6a](C[6a]C[6a]C)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]H)	C[6a](C[6a]C[6a]C)2(N[6]C[6]2){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3){2|C<3>,3|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]H){1|Pd<4>,2|C<3>,2|H<1>,3|C<4>}	119.1325	0.018	2	118.7979	0.136	12	119.0115	0.748	205	119.0412	0.763	263	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:4:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-4:C[6]-3:	C[6a](C[6a]C[6a]C)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]H)	C[6a](C[6a]C[6a]C)2(N[6]C[6]2){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3){2|C<3>,3|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]H){2|C<3>,2|H<1>,4|C<4>}	118.8125	0.564	2	118.7979	0.136	12	119.0115	0.748	205	119.0412	0.763	263	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:4:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-4:C[6]-3:	C[6a](C[6a]C[6a]C)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]H)	C[6a](C[6a]C[6a]C)2(N[6]C[6]2){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3){2|C<3>,3|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]H){2|H<1>,3|C<3>,3|C<4>}	118.8030	0.338	6	118.7979	0.136	12	119.0115	0.748	205	119.0412	0.763	263	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:4:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-4:C[6]-3:	C[6a](C[6a]C[6a]C)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]H)	C[6a](C[6a]C[6a]C)2(N[6]C[6]2){1|N<3>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3){2|C<3>,3|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]H){1|H<1>,2|C<4>,4|C<3>}	118.4335	0.340	2	118.7979	0.136	12	119.0115	0.748	205	119.0412	0.763	263	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:4:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-4:C[6]-3:	C[6a](C[6a]C[6a]C)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]In)	C[6a](C[6a]C[6a]C)2(N[6]C[6]2){1|In<4>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3){2|C<3>,3|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]In){2|H<1>,3|C<3>,3|C<4>}	118.7438	1.760	4	118.7438	3.096	4	119.0115	0.748	205	119.0412	0.763	263	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:4:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-4:C[6]-3:	C[6a](C[6a]C[6a]C)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]Ir)	C[6a](C[6a]C[6a]C)2(N[6]C[6]2){1|Ir<3>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3){2|C<3>,3|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]Ir){2|H<1>,3|C<3>,3|C<4>}	118.6280	0.655	4	118.9593	1.356	6	119.0115	0.748	205	119.0412	0.763	263	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:4:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-4:C[6]-3:	C[6a](C[6a]C[6a]C)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]Ir)	C[6a](C[6a]C[6a]C)2(N[6]C[6]2){1|Ir<6>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3){2|C<3>,3|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]Ir){4|C<3>,4|C<4>}	119.6220	2.044	2	118.9593	1.356	6	119.0115	0.748	205	119.0412	0.763	263	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:4:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-4:C[6]-3:	C[6a](C[6a]C[6a]C)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]Ni)	C[6a](C[6a]C[6a]C)2(N[6]C[6]2){1|Ni<2>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3){2|C<3>,3|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]Ni){2|H<1>,3|C<3>,3|C<4>}	119.0695	0.765	8	119.3172	0.395	54	119.0115	0.748	205	119.0412	0.763	263	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:4:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-4:C[6]-3:	C[6a](C[6a]C[6a]C)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]Ni)	C[6a](C[6a]C[6a]C)2(N[6]C[6]2){1|Ni<3>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3){2|C<3>,3|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]Ni){2|H<1>,3|C<3>,3|C<4>}	119.3223	0.265	12	119.3172	0.395	54	119.0115	0.748	205	119.0412	0.763	263	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:4:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-4:C[6]-3:	C[6a](C[6a]C[6a]C)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]Ni)	C[6a](C[6a]C[6a]C)2(N[6]C[6]2){1|Ni<4>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3){2|C<3>,3|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]Ni){2|H<1>,3|C<3>,3|C<4>}	119.4381	0.736	20	119.3172	0.395	54	119.0115	0.748	205	119.0412	0.763	263	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:4:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-4:C[6]-3:	C[6a](C[6a]C[6a]C)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]Ni)	C[6a](C[6a]C[6a]C)2(N[6]C[6]2){1|Ni<7>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3){2|C<3>,3|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]Ni){2|H<1>,3|C<3>,3|C<4>}	119.2816	0.619	14	119.3172	0.395	54	119.0115	0.748	205	119.0412	0.763	263	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:4:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-4:C[6]-3:	C[6a](C[6a]C[6a]C)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]O)	C[6a](C[6a]C[6a]C)2(N[6]C[6]2){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3){2|C<3>,3|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]O){2|H<1>,3|C<3>,3|C<4>}	119.2318	0.706	4	119.2318	0.498	4	119.0115	0.748	205	119.0412	0.763	263	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:4:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-4:C[6]-3:	C[6a](C[6a]C[6a]C)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]Pd)	C[6a](C[6a]C[6a]C)2(N[6]C[6]2){1|Pd<5>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3){2|C<3>,3|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]Pd){2|H<1>,3|C<3>,3|C<4>}	119.2265	1.251	4	119.2265	1.565	4	119.0115	0.748	205	119.0412	0.763	263	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:4:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-4:C[6]-3:	C[6a](C[6a]C[6a]C)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]Rh)	C[6a](C[6a]C[6a]C)2(N[6]C[6]2){1|Rh<6>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3){2|C<3>,3|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]Rh){2|H<1>,3|C<3>,3|C<4>}	119.0660	2.925	2	119.0660	8.553	2	119.0115	0.748	205	119.0412	0.763	263	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:4:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-4:C[6]-3:	C[6a](C[6a]C[6a]C)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3)	N[6](C[6a]C[6a]2)(C[6]N[6]BH)(C[6]C[6]O)	C[6a](C[6a]C[6a]C)2(N[6]C[6]2){1|B<3>,1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3){2|C<3>,3|C<4>}	N[6](C[6a]C[6a]2)(C[6]N[6]BH)(C[6]C[6]O){4|C<3>,4|C<4>}	119.4947	0.351	4	119.4297	0.435	16	119.0115	0.748	205	119.0412	0.763	263	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:4:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-4:C[6]-3:	C[6a](C[6a]C[6a]C)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3)	N[6](C[6a]C[6a]2)(C[6]N[6]BH)(C[6]C[6]O)	C[6a](C[6a]C[6a]C)2(N[6]C[6]2){1|B<4>,1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3){2|C<3>,3|C<4>}	N[6](C[6a]C[6a]2)(C[6]N[6]BH)(C[6]C[6]O){4|C<3>,4|C<4>}	119.4081	0.746	12	119.4297	0.435	16	119.0115	0.748	205	119.0412	0.763	263	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:4:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-4:C[6]-3:	C[6a](C[6a]C[6a]C)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3)	N[6](C[6a]C[6a]2)(C[6]N[6]CC)(C[6]C[6]O)	C[6a](C[6a]C[6a]C)2(N[6]C[6]2){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3){2|C<3>,3|C<4>}	N[6](C[6a]C[6a]2)(C[6]N[6]CC)(C[6]C[6]O){4|C<3>,4|C<4>}	119.4725	2.153	4	119.4725	4.637	4	119.0115	0.748	205	119.0412	0.763	263	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:4:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-4:C[6]-3:	C[6a](C[6a]C[6a]C)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3)	N[6](C[6a]C[6a]2)(C[6]N[6]HH)(C[6]S[6]S)	C[6a](C[6a]C[6a]C)2(N[6]C[6]2){1|C<3>,1|N<3>,1|S<1>,1|S<2>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3){2|C<3>,3|C<4>}	N[6](C[6a]C[6a]2)(C[6]N[6]HH)(C[6]S[6]S){2|C<3>,4|C<4>}	118.7445	0.623	2	118.7445	0.388	2	119.0115	0.748	205	119.0412	0.763	263	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:4:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-4:C[6]-3:	C[6a](C[6a]C[6a]C)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3)	N[6](C[6a]C[6a]2)(C[6]N[6]HN)(C[6]C[6]O)	C[6a](C[6a]C[6a]C)2(N[6]C[6]2){1|C<3>,1|C<4>,1|O<1>,2|N<3>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3){2|C<3>,3|C<4>}	N[6](C[6a]C[6a]2)(C[6]N[6]HN)(C[6]C[6]O){4|C<3>,4|C<4>}	119.1008	0.319	4	119.1008	0.102	4	119.0115	0.748	205	119.0412	0.763	263	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:4:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-4:C[6]-3:	C[6a](C[6a]C[6a]C)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3)	N[6](C[6a]C[6a]2)(C[6]N[6]HP)(C[6]C[6]O)	C[6a](C[6a]C[6a]C)2(N[6]C[6]2){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|P<3>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3){2|C<3>,3|C<4>}	N[6](C[6a]C[6a]2)(C[6]N[6]HP)(C[6]C[6]O){4|C<3>,4|C<4>}	119.4377	0.501	4	119.4377	0.251	4	119.0115	0.748	205	119.0412	0.763	263	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:4:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-4:C[6]-3:	C[6a](C[6a]C[6a]C)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3)	N[6](C[6a]C[6a]2)(C[6]N[6]SS)(C[6]C[6]O)	C[6a](C[6a]C[6a]C)2(N[6]C[6]2){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>,2|S<2>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3){2|C<3>,3|C<4>}	N[6](C[6a]C[6a]2)(C[6]N[6]SS)(C[6]C[6]O){4|C<3>,4|C<4>}	119.5048	1.664	4	119.5048	2.770	4	119.0115	0.748	205	119.0412	0.763	263	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:4:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5a,6]-3:B[6]-4:C[6a]-3:	C[6a](N[6]C[5a,6]B[6])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CC3)	N[6](C[5a,6]C[5a,6a]C[5a,6])(B[6]N[5a,6]FF)(C[6a]C[6a]2)	C[6a](N[6]C[5a,6]B[6])(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CC3){1|B<4>,2|C<3>,2|H<1>}	N[6](C[5a,6]C[5a,6a]C[5a,6])(B[6]N[5a,6]FF)(C[6a]C[6a]2){1|C<4>,1|H<1>,1|N<3>,6|C<3>}	123.3720	0.000	1	123.3720	0.000	1	119.0908	1.798	15	119.0412	0.763	263	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:4:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5a,6]-3:B[6]-4:C[6a]-3:	C[6a](N[6]C[5a,6]B[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](C[5a,6]C[5a,6a]C[5a,6])(B[6]N[5a,6]FF)(C[6a]C[6a]2)	C[6a](N[6]C[5a,6]B[6])(C[6a]C[6a]C)2{1|N<3>,2|F<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|B<4>,1|C<4>,1|H<1>,2|C<3>}	N[6](C[5a,6]C[5a,6a]C[5a,6])(B[6]N[5a,6]FF)(C[6a]C[6a]2){1|N<3>,2|C<4>,6|C<3>}	118.6167	0.253	6	118.6167	0.064	6	119.0908	1.798	15	119.0412	0.763	263	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:4:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5a,6]-3:B[6]-4:C[6a]-3:	C[6a](N[6]C[5a,6]B[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3)	N[6](C[5a,6]C[5a,6a]C[5a,6])(B[6]N[5a,6]FF)(C[6a]C[6a]2)	C[6a](N[6]C[5a,6]B[6])(C[6a]C[6a]C)2{1|N<3>,2|F<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3){1|B<4>,1|C<4>,1|H<1>,2|C<3>}	N[6](C[5a,6]C[5a,6a]C[5a,6])(B[6]N[5a,6]FF)(C[6a]C[6a]2){1|N<3>,2|C<4>,6|C<3>}	118.9112	0.838	8	118.9112	0.703	8	119.0908	1.798	15	119.0412	0.763	263	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:4:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6,6a]-3:B[6]-4:C[6a]-3:	C[6a](N[6]C[6,6a]B[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]FF)(C[6a]C[6a]2)	C[6a](N[6]C[6,6a]B[6])(C[6a]C[6a]C)2{1|N<3>,2|F<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|B<4>,1|C<4>,1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]FF)(C[6a]C[6a]2){1|H<1>,3|C<4>,5|C<3>}	119.0625	0.505	4	119.1843	0.189	6	119.1475	0.171	12	119.0412	0.763	263	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:4:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6,6a]-3:B[6]-4:C[6a]-3:	C[6a](N[6]C[6,6a]B[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]FF)(C[6a]C[6a]2)	C[6a](N[6]C[6,6a]B[6])(C[6a]C[6a]C)2{1|N<4>,2|F<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|B<4>,1|C<4>,1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]FF)(C[6a]C[6a]2){1|H<1>,4|C<3>,5|C<4>}	119.4280	0.071	2	119.1843	0.189	6	119.1475	0.171	12	119.0412	0.763	263	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:4:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6,6a]-3:B[6]-4:C[6a]-3:	C[6a](N[6]C[6,6a]B[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCHH)	N[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]FF)(C[6a]C[6a]2)	C[6a](N[6]C[6,6a]B[6])(C[6a]C[6a]C)2{1|N<3>,2|F<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCHH){1|B<4>,1|C<4>,1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]FF)(C[6a]C[6a]2){1|H<1>,2|C<4>,6|C<3>}	119.2590	0.110	2	119.2590	0.012	2	119.1475	0.171	12	119.0412	0.763	263	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:4:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6,6a]-3:B[6]-4:C[6a]-3:	C[6a](N[6]C[6,6a]B[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3)	N[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]FF)(C[6a]C[6a]2)	C[6a](N[6]C[6,6a]B[6])(C[6a]C[6a]C)2{1|N<3>,2|F<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3){1|B<4>,1|C<4>,1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]FF)(C[6a]C[6a]2){1|H<1>,2|C<4>,6|C<3>}	119.0365	0.530	4	119.0365	0.281	4	119.1475	0.171	12	119.0412	0.763	263	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:4:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:B[6]-4:C[6a]-3:	C[6a](N[6]B[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3)	N[6](C[6]C[6a]C[6])(B[6]N[5,6]FF)(C[6a]C[6a]2)	C[6a](N[6]B[6]C[6])(C[6a]C[6a]C)2{1|N<3>,2|F<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3){1|B<4>,1|C<4>,1|H<1>,2|C<3>}	N[6](C[6]C[6a]C[6])(B[6]N[5,6]FF)(C[6a]C[6a]2){1|H<1>,2|C<4>,6|C<3>}	118.8760	1.285	4	118.8760	1.651	4	118.8760	1.651	4	119.0412	0.763	263	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:4:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:B[6]-4:C[6]-3:	C[6a](N[6]B[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](C[6a]C[6a]2)(B[6]N[6]FF)(C[6]C[6]C)	C[6a](N[6]B[6]C[6])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,2|C<3>,2|F<1>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|B<4>,1|C<4>,1|H<1>,2|C<3>}	N[6](C[6a]C[6a]2)(B[6]N[6]FF)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	118.9250	0.497	3	118.9250	0.247	3	119.0524	0.764	11	119.0412	0.763	263	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:4:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:B[6]-4:C[6]-3:	C[6a](N[6]B[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](C[6a]C[6a]2)(B[6]N[6]FO)(C[6]C[6]C)	C[6a](N[6]B[6]C[6])(C[6a]C[6a]C)2{1|C<4>,1|F<1>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|B<4>,1|C<4>,1|H<1>,2|C<3>}	N[6](C[6a]C[6a]2)(B[6]N[6]FO)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	119.1001	1.006	8	119.1001	1.011	8	119.0524	0.764	11	119.0412	0.763	263	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:4:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-4:B[6]-3:	C[6a](N[6]B[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(B[6]N[6]H)	C[6a](N[6]B[6]C[6])(C[6a]C[6a]C)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|B<3>,1|C<3>,1|H<1>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(B[6]N[6]H){3|C<3>,5|C<4>}	119.5943	0.343	4	119.5943	0.118	4	119.4092	0.398	14	119.0412	0.763	263	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:4:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-4:B[6]-3:	C[6a](N[6]B[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(B[6]C[6]O)	C[6a](N[6]B[6]C[6])(C[6a]C[6a]C)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|B<3>,1|C<3>,1|H<1>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(B[6]C[6]O){1|B<4>,1|N<3>,2|C<3>,2|C<4>,2|H<1>}	118.4320	1.167	2	118.4320	1.361	2	119.4092	0.398	14	119.0412	0.763	263	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:4:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-4:B[6]-3:	C[6a](N[6]B[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(B[6]C[6]N)	C[6a](N[6]B[6]C[6])(C[6a]C[6a]C)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3){1|B<3>,1|C<3>,3|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(B[6]C[6]N){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	119.5475	0.464	4	119.5475	0.215	4	119.4092	0.398	14	119.0412	0.763	263	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:4:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-4:B[6]-3:	C[6a](N[6]B[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(B[6]C[6]O)	C[6a](N[6]B[6]C[6])(C[6a]C[6a]C)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3){1|B<3>,1|C<3>,3|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(B[6]C[6]O){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	119.4965	0.039	2	119.4965	0.002	2	119.4092	0.398	14	119.0412	0.763	263	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:4:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-4:B[6]-3:	C[6a](N[6]B[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(B[6]C[6]S)	C[6a](N[6]B[6]C[6])(C[6a]C[6a]C)2{1|C<3>,1|S<2>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3){1|B<3>,1|C<3>,3|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(B[6]C[6]S){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	119.6525	0.742	2	119.6525	0.550	2	119.4092	0.398	14	119.0412	0.763	263	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]C)(CH3)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,3|C<4>,5|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]C)(CH3){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<4>,1|N<4>,2|C<3>,5|H<1>}	118.4500	0.000	1	118.4500	0.000	1	119.8130	15.518	17	119.8130	15.518	17	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CC[6a]CO)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CC[6a]CO){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<4>,1|O<2>,2|C<3>,5|H<1>}	118.8850	0.000	1	118.8850	0.000	1	119.8130	15.518	17	119.8130	15.518	17	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CF3)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CF3){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<4>,1|N<3>,2|C<3>,5|H<1>}	120.5115	2.249	2	120.5115	5.059	2	119.8130	15.518	17	119.8130	15.518	17	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,3|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<4>,1|N<3>,2|C<3>,5|H<1>}	119.0585	0.105	2	118.9175	0.033	4	119.8130	15.518	17	119.8130	15.518	17	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<4>,1|N<3>,2|C<3>,5|H<1>}	118.7130	0.000	1	118.9175	0.033	4	119.8130	15.518	17	119.8130	15.518	17	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<4>,1|N<4>,2|C<3>,5|H<1>}	118.8400	0.000	1	118.9175	0.033	4	119.8130	15.518	17	119.8130	15.518	17	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CHHN)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CHHN){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{2|C<3>,2|C<4>,5|H<1>}	117.9570	0.000	1	117.9570	0.000	1	119.8130	15.518	17	119.8130	15.518	17	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]C)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CC[6a]HH)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]C)2(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CC[6a]HH){1|C<3>,4|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{2|C<3>,3|C<4>,4|H<1>}	120.6992	6.254	6	120.6992	39.108	6	119.8130	15.518	17	119.8130	15.518	17	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]C)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3)	N[6](C[6a]C[6a]2)(C[6]B[6]CH)(C[6]C[6]HH)	C[6a](C[6a]C[6a]C)2(N[6]C[6]2){1|B<3>,1|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3){1|C<3>,4|C<4>}	N[6](C[6a]C[6a]2)(C[6]B[6]CH)(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	120.3205	5.658	2	120.3205	32.008	2	119.8130	15.518	17	119.8130	15.518	17	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:2:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	B[6]-4:C[6a]-3:N[6]-2:	C[6a](N[6]B[6]N[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3)	N[6](B[6]C[6a]2C[6])(C[6a]C[6a]2)(N[6]N[6])	C[6a](N[6]B[6]N[6])(C[6a]C[6a]C)2{1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3){1|B<4>,1|C<3>,1|N<2>,2|C<4>}	N[6](B[6]C[6a]2C[6])(C[6a]C[6a]2)(N[6]N[6]){1|H<1>,1|P<4>,3|C<4>,6|C<3>}	119.5145	1.992	2	119.5145	3.968	2	119.0157	1.664	4	119.7550	1.560	14	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:2:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	B[6]-4:C[6a]-3:N[6]-2:	C[6a](N[6]B[6]N[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3)	N[6](B[6]N[6,6]FF)(C[6a]C[6a]2)(N[6]C[6])	C[6a](N[6]B[6]N[6])(C[6a]C[6a]C)2{1|N<3>,2|C<3>,2|F<1>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3){1|B<4>,1|C<3>,1|C<4>,1|H<1>,1|N<2>}	N[6](B[6]N[6,6]FF)(C[6a]C[6a]2)(N[6]C[6]){1|C<2>,2|C<4>,4|C<3>}	118.5170	0.170	2	118.5170	0.029	2	119.0157	1.664	4	119.7550	1.560	14	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:2:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6a]-3:Ge[6]-2:	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](C[6]C[6,6]C[6a]H)(C[6a]C[6a]2)(Ge[6]N[6])	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2{1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Ge<2>,1|C<3>,1|H<1>,2|C<4>}	N[6](C[6]C[6,6]C[6a]H)(C[6a]C[6a]2)(Ge[6]N[6]){3|C<4>,6|C<3>}	119.5110	2.983	2	119.5110	8.896	2	119.5110	8.896	2	119.7550	1.560	14	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:2:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	P[6]-4:C[6a]-3:Ga[6]-2:	C[6a](N[6]Ga[6]P[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](P[6]C[6a]2C[6])(C[6a]C[6a]2)(Ga[6]N[6])	C[6a](N[6]Ga[6]P[6])(C[6a]C[6a]C)2{1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Ga<2>,1|C<3>,1|C<4>,1|H<1>,1|P<4>}	N[6](P[6]C[6a]2C[6])(C[6a]C[6a]2)(Ga[6]N[6]){1|H<1>,1|P<4>,2|C<4>,7|C<3>}	120.1082	0.671	4	120.1082	0.450	4	120.1082	0.450	4	119.7550	1.560	14	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:2:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	P[6]-4:C[6a]-3:In[6]-2:	C[6a](N[6]In[6]P[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](P[6]C[6a]2C[6])(C[6a]C[6a]2)(In[6]N[6])	C[6a](N[6]In[6]P[6])(C[6a]C[6a]C)2{1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|In<2>,1|C<3>,1|C<4>,1|H<1>,1|P<4>}	N[6](P[6]C[6a]2C[6])(C[6a]C[6a]2)(In[6]N[6]){1|H<1>,1|P<4>,2|C<4>,7|C<3>}	120.2630	0.634	4	120.2630	0.401	4	120.2630	0.401	4	119.7550	1.560	14	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3)	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(N[6]C[6]2){1|N<3>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,6|C<3>}	118.2835	0.687	2	118.2835	0.471	2	118.2510	2.115	6	119.3037	1.129	684	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3)	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]Pd)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(N[6]C[6]2){1|Pd<4>,1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]Pd)(C[6a]C[6a]2){1|H<1>,2|C<4>,6|C<3>}	118.2348	1.835	4	118.2348	3.366	4	118.2510	2.115	6	119.3037	1.129	684	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]C)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](C[6]C[6]ClH)(C[6a]C[6a]2)(C[6]C[6]O)	C[6a](C[6a]C[6a]C)2(N[6]C[6]2){1|Cl<1>,1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6]C[6]ClH)(C[6a]C[6a]2)(C[6]C[6]O){2|C<3>,7|C<4>}	119.2230	0.598	2	119.2230	0.358	2	119.3300	0.638	20	119.3037	1.129	684	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]C)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](C[6]C[6]N[6]H)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](C[6a]C[6a]C)2(N[6]C[6]2){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6]C[6]N[6]H)(C[6a]C[6a]2)(C[6]C[6]C){1|Cr<6>,1|H<1>,1|N<3>,2|C<4>,4|C<3>}	119.1785	0.878	2	119.1785	0.770	2	119.3300	0.638	20	119.3037	1.129	684	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]C)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3)	N[6](C[6]B[5]2N[6])(C[6a]C[6a]2)(C[6]C[6]O)	C[6a](C[6a]C[6a]C)2(N[6]C[6]2){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|B<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3){2|C<3>,3|C<4>}	N[6](C[6]B[5]2N[6])(C[6a]C[6a]2)(C[6]C[6]O){4|C<3>,4|C<4>,4|O<2>}	119.7180	1.581	4	119.7180	2.500	4	119.3300	0.638	20	119.3037	1.129	684	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]C)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3)	N[6](C[6]B[5]N[6]H)(C[6a]C[6a]2)(C[6]C[6]O)	C[6a](C[6a]C[6a]C)2(N[6]C[6]2){1|B<3>,1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3){2|C<3>,3|C<4>}	N[6](C[6]B[5]N[6]H)(C[6a]C[6a]2)(C[6]C[6]O){2|O<2>,4|C<3>,4|C<4>}	119.1912	0.278	4	119.1912	0.077	4	119.3300	0.638	20	119.3037	1.129	684	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]C)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3)	N[6](C[6]B[6,6]N[6]H)(C[6a]C[6a]2)(C[6]C[6]O)	C[6a](C[6a]C[6a]C)2(N[6]C[6]2){1|B<3>,1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3){2|C<3>,3|C<4>}	N[6](C[6]B[6,6]N[6]H)(C[6a]C[6a]2)(C[6]C[6]O){4|C<3>,6|C<4>}	119.4175	0.424	4	119.4175	0.180	4	119.3300	0.638	20	119.3037	1.129	684	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]C)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3)	N[6](C[6]N[6]ClH)(C[6a]C[6a]2)(C[6]C[6]O)	C[6a](C[6a]C[6a]C)2(N[6]C[6]2){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3){2|C<3>,3|C<4>}	N[6](C[6]N[6]ClH)(C[6a]C[6a]2)(C[6]C[6]O){4|C<3>,4|C<4>}	119.1227	0.769	4	119.1227	0.591	4	119.3300	0.638	20	119.3037	1.129	684	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	B[3x6]-4:C[6]-3:C[6a]-3:	C[6a](N[6]B[3x6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](B[3x6]C[6,6]2O[6])(C[6]C[6,6a]H)(C[6a]C[6a]2)	C[6a](N[6]B[3x6]C[6])(C[6a]C[6a]C)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|B<4>,1|C<4>,1|H<1>,2|C<3>}	N[6](B[3x6]C[6,6]2O[6])(C[6]C[6,6a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>,6|C<4>}	118.6405	3.023	2	118.6405	9.138	2	118.6405	9.138	2	119.3037	1.129	684	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	B[5a,6]-4:C[6]-3:C[6a]-3:	C[6a](N[6]B[5a,6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3)	N[6](B[5a,6]O[5a]2O[6])(C[6]C[6,6a]H)(C[6a]C[6a]2)	C[6a](N[6]B[5a,6]C[6])(C[6a]C[6a]C)2{2|C<3>,3|H<1>,3|O<2>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3){1|B<4>,1|C<4>,1|H<1>,2|C<3>}	N[6](B[5a,6]O[5a]2O[6])(C[6]C[6,6a]H)(C[6a]C[6a]2){2|C<4>,6|C<3>}	118.4965	1.883	2	118.4965	3.546	2	118.4965	3.546	2	119.3037	1.129	684	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	B[5a,6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]B[5a,6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](B[5a,6]N[5a,6]O[5a]F)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]B[5a,6]C[6])(C[6a]C[6a]C)2{1|C<4>,1|F<1>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|B<4>,1|C<4>,1|H<1>,2|C<3>}	N[6](B[5a,6]N[5a,6]O[5a]F)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,5|C<3>}	118.9885	0.255	2	118.9885	0.065	2	118.9885	0.065	2	119.3037	1.129	684	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	B[6]-4:C[6]-3:C[6a]-3:	C[6a](N[6]B[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3)	N[6](B[6]C[6a]2N[6])(C[6]C[6a]N[6])(C[6a]C[6a]2)	C[6a](N[6]B[6]C[6])(C[6a]C[6a]C)2{1|N<2>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3){1|B<4>,2|C<3>,2|C<4>}	N[6](B[6]C[6a]2N[6])(C[6]C[6a]N[6])(C[6a]C[6a]2){10|C<3>,2|C<4>}	119.4850	1.570	2	119.4850	2.464	2	119.4850	2.464	2	119.3037	1.129	684	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	B[6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]B[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](B[6]C[6a]2N[6])(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]B[6]C[6])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|B<4>,1|C<4>,1|H<1>,2|C<3>}	N[6](B[6]C[6a]2N[6])(C[6a]C[6a]2)(C[6]C[6]C){2|C<4>,9|C<3>}	119.0395	0.855	2	119.0395	0.731	2	119.2145	0.339	6	119.3037	1.129	684	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	B[6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]B[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3)	N[6](B[6]N[6]Cl2)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]B[6]C[6])(C[6a]C[6a]C)2{2|Cl<1>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3){1|B<4>,1|C<4>,1|H<1>,2|C<3>}	N[6](B[6]N[6]Cl2)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	119.3020	0.539	4	119.3020	0.290	4	119.2145	0.339	6	119.3037	1.129	684	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[3,6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]C[3,6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](C[3,6]C[3]2C[6])(C[6a]C[6a]2)(C[6]C[6]O)	C[6a](N[6]C[3,6]C[6])(C[6a]C[6a]C)2{1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	N[6](C[3,6]C[3]2C[6])(C[6a]C[6a]2)(C[6]C[6]O){3|C<3>,8|C<4>}	119.2185	0.582	2	119.2185	0.339	2	119.2310	1.127	54	119.3037	1.129	684	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[3,6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]C[3,6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3)	N[6](C[3,6]C[3,5,6]2N[6])(C[6a]C[6a]2)(C[6]C[6]O)	C[6a](N[6]C[3,6]C[6])(C[6a]C[6a]C)2{1|C<3>,1|N<3>,1|O<1>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3){2|C<3>,3|C<4>}	N[6](C[3,6]C[3,5,6]2N[6])(C[6a]C[6a]2)(C[6]C[6]O){2|H<1>,4|C<3>,6|C<4>}	119.5490	2.458	8	119.5490	6.041	8	119.2310	1.127	54	119.3037	1.129	684	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[3,6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]C[3,6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3)	N[6](C[3,6]C[3]2N[6])(C[6a]C[6a]2)(C[6]C[6]O)	C[6a](N[6]C[3,6]C[6])(C[6a]C[6a]C)2{1|C<3>,1|N<3>,1|O<1>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3){2|C<3>,3|C<4>}	N[6](C[3,6]C[3]2N[6])(C[6a]C[6a]2)(C[6]C[6]O){2|C<2>,2|H<1>,4|C<3>,4|C<4>}	119.0885	0.537	4	119.2405	0.491	28	119.2310	1.127	54	119.3037	1.129	684	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[3,6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]C[3,6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3)	N[6](C[3,6]C[3]2N[6])(C[6a]C[6a]2)(C[6]C[6]O)	C[6a](N[6]C[3,6]C[6])(C[6a]C[6a]C)2{1|C<3>,1|N<3>,1|O<1>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3){2|C<3>,3|C<4>}	N[6](C[3,6]C[3]2N[6])(C[6a]C[6a]2)(C[6]C[6]O){2|H<1>,4|C<4>,6|C<3>}	119.2995	0.804	8	119.2405	0.491	28	119.2310	1.127	54	119.3037	1.129	684	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[3,6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]C[3,6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3)	N[6](C[3,6]C[3]2N[6])(C[6a]C[6a]2)(C[6]C[6]O)	C[6a](N[6]C[3,6]C[6])(C[6a]C[6a]C)2{1|C<3>,1|N<3>,1|O<1>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3){2|C<3>,3|C<4>}	N[6](C[3,6]C[3]2N[6])(C[6a]C[6a]2)(C[6]C[6]O){3|H<1>,4|C<4>,5|C<3>}	119.2550	1.143	4	119.2405	0.491	28	119.2310	1.127	54	119.3037	1.129	684	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[3,6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]C[3,6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3)	N[6](C[3,6]C[3]2N[6])(C[6a]C[6a]2)(C[6]C[6]O)	C[6a](N[6]C[3,6]C[6])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3){2|C<3>,3|C<4>}	N[6](C[3,6]C[3]2N[6])(C[6a]C[6a]2)(C[6]C[6]O){1|H<1>,4|C<3>,5|C<4>}	119.2198	0.769	4	119.2405	0.491	28	119.2310	1.127	54	119.3037	1.129	684	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[3,6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]C[3,6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3)	N[6](C[3,6]C[3]2N[6])(C[6a]C[6a]2)(C[6]C[6]O)	C[6a](N[6]C[3,6]C[6])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3){2|C<3>,3|C<4>}	N[6](C[3,6]C[3]2N[6])(C[6a]C[6a]2)(C[6]C[6]O){1|H<1>,4|C<4>,5|C<3>}	119.2800	0.551	4	119.2405	0.491	28	119.2310	1.127	54	119.3037	1.129	684	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[3,6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]C[3,6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3)	N[6](C[3,6]C[3]2N[6])(C[6a]C[6a]2)(C[6]C[6]O)	C[6a](N[6]C[3,6]C[6])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3){2|C<3>,3|C<4>}	N[6](C[3,6]C[3]2N[6])(C[6a]C[6a]2)(C[6]C[6]O){2|H<1>,4|C<3>,4|C<4>}	119.2415	0.611	4	119.2405	0.491	28	119.2310	1.127	54	119.3037	1.129	684	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[3,6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]C[3,6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3)	N[6](C[3,6]C[3]N[3]N[6])(C[6a]C[6a]2)(C[6]C[6]O)	C[6a](N[6]C[3,6]C[6])(C[6a]C[6a]C)2{1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3){2|C<3>,3|C<4>}	N[6](C[3,6]C[3]N[3]N[6])(C[6a]C[6a]2)(C[6]C[6]O){4|C<4>,5|C<3>}	119.2150	0.523	4	119.2150	0.274	4	119.2310	1.127	54	119.3037	1.129	684	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[3,6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]C[3,6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3)	N[6](C[3,6]C[3]N[6]O[3])(C[6a]C[6a]2)(C[6]C[6]O)	C[6a](N[6]C[3,6]C[6])(C[6a]C[6a]C)2{1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3){2|C<3>,3|C<4>}	N[6](C[3,6]C[3]N[6]O[3])(C[6a]C[6a]2)(C[6]C[6]O){1|H<1>,4|C<4>,5|C<3>}	118.9591	0.456	8	118.9591	0.208	8	119.2310	1.127	54	119.3037	1.129	684	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[3,6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]C[3,6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3)	N[6](C[3,6]C[3]N[6]P[3])(C[6a]C[6a]2)(C[6]C[6]O)	C[6a](N[6]C[3,6]C[6])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,1|O<1>,1|P<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3){2|C<3>,3|C<4>}	N[6](C[3,6]C[3]N[6]P[3])(C[6a]C[6a]2)(C[6]C[6]O){4|C<3>,5|C<4>}	119.0940	0.169	4	119.0940	0.029	4	119.2310	1.127	54	119.3037	1.129	684	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5,6]-4:C[6]-3:C[6a]-3:	C[6a](N[6]C[5,6]C[6])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CC[5]HO)	N[6](C[5,6]C[5]C[6]O[5])(C[6]C[5,6]O)(C[6a]C[6a]2)	C[6a](N[6]C[5,6]C[6])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CC[5]HO){1|C<4>,2|C<3>,2|H<1>}	N[6](C[5,6]C[5]C[6]O[5])(C[6]C[5,6]O)(C[6a]C[6a]2){1|N<3>,1|O<1>,3|C<3>,3|C<4>,3|H<1>}	124.1337	0.727	3	124.1337	0.529	3	124.1337	0.529	3	119.3037	1.129	684	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5,6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]C[5,6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](C[5,6]N[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]O)	C[6a](N[6]C[5,6]C[6])(C[6a]C[6a]C)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	N[6](C[5,6]N[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]O){5|C<3>,6|C<4>}	119.0640	1.078	2	119.0640	1.161	2	119.2912	1.563	16	119.3037	1.129	684	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5,6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]C[5,6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3)	N[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]N[6]Pd)	C[6a](N[6]C[5,6]C[6])(C[6a]C[6a]C)2{1|Pd<4>,1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3){2|C<3>,3|C<4>}	N[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]N[6]Pd){2|C<3>,2|H<1>,7|C<4>}	119.3840	1.644	6	119.3840	2.702	6	119.2912	1.563	16	119.3037	1.129	684	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5,6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]C[5,6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3)	N[6](C[5,6]C[5]N[6]O[5])(C[6a]C[6a]2)(C[6]C[6]O)	C[6a](N[6]C[5,6]C[6])(C[6a]C[6a]C)2{1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3){2|C<3>,3|C<4>}	N[6](C[5,6]C[5]N[6]O[5])(C[6a]C[6a]2)(C[6]C[6]O){2|H<1>,4|C<4>,6|C<3>}	119.2608	1.194	4	119.2784	1.231	8	119.2912	1.563	16	119.3037	1.129	684	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5,6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]C[5,6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3)	N[6](C[5,6]C[5]N[6]O[5])(C[6a]C[6a]2)(C[6]C[6]O)	C[6a](N[6]C[5,6]C[6])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3){2|C<3>,3|C<4>}	N[6](C[5,6]C[5]N[6]O[5])(C[6a]C[6a]2)(C[6]C[6]O){1|N<3>,1|O<1>,4|C<4>,5|C<3>}	119.2960	1.203	4	119.2784	1.231	8	119.2912	1.563	16	119.3037	1.129	684	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6,6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]C[6,6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3)	N[6](C[6,6]C[6]2N[6])(C[6a]C[6a]2)(C[6]C[6]O)	C[6a](N[6]C[6,6]C[6])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3){2|C<3>,3|C<4>}	N[6](C[6,6]C[6]2N[6])(C[6a]C[6a]2)(C[6]C[6]O){2|O<1>,4|C<4>,6|C<3>}	119.2650	2.799	4	119.2650	7.833	4	119.2650	7.833	4	119.3037	1.129	684	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Ga[4,4,6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]Ga[4,4,6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](Ga[4,4,6]P[4x4]2N[6])(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Ga[4,4,6]C[6])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>,2|P<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Ga<4>,1|C<4>,1|H<1>,2|C<3>}	N[6](Ga[4,4,6]P[4x4]2N[6])(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,2|P<3>,4|C<3>}	119.1607	1.080	16	119.1607	1.166	16	119.1607	1.166	16	119.3037	1.129	684	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Ga[4,6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]Ga[4,6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](Ga[4,6]As[4]2N[6])(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Ga[4,6]C[6])(C[6a]C[6a]C)2{2|As<2>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Ga<4>,1|C<4>,1|H<1>,2|C<3>}	N[6](Ga[4,6]As[4]2N[6])(C[6a]C[6a]2)(C[6]C[6]C){1|As<3>,1|H<1>,2|C<4>,4|C<3>}	118.9908	1.382	4	118.9908	1.911	4	118.9685	1.168	8	119.3037	1.129	684	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Ga[4,6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]Ga[4,6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](Ga[4,6]N[6]S[4]2)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Ga[4,6]C[6])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>,2|S<2>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Ga<4>,1|C<4>,1|H<1>,2|C<3>}	N[6](Ga[4,6]N[6]S[4]2)(C[6a]C[6a]2)(C[6]C[6]C){1|Ga<4>,1|H<1>,2|C<4>,4|C<3>}	118.9462	0.902	4	118.9462	0.813	4	118.9685	1.168	8	119.3037	1.129	684	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Ga[5,5,6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]Ga[5,5,6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](Ga[5,5,6]P[3,5,5]P[3x5,6]N[6])(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Ga[5,5,6]C[6])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>,2|P<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Ga<4>,1|C<4>,1|H<1>,2|C<3>}	N[6](Ga[5,5,6]P[3,5,5]P[3x5,6]N[6])(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>,4|P<3>}	119.1082	1.144	8	119.1082	1.310	8	119.1345	1.296	16	119.3037	1.129	684	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Ga[5,5,6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]Ga[5,5,6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](Ga[5,5,6]P[3,5,5]P[3x5]N[6])(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Ga[5,5,6]C[6])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>,2|P<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Ga<4>,1|C<4>,1|H<1>,2|C<3>}	N[6](Ga[5,5,6]P[3,5,5]P[3x5]N[6])(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>,4|P<3>}	119.1608	1.210	8	119.1608	1.465	8	119.1345	1.296	16	119.3037	1.129	684	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Ga[5,6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]Ga[5,6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](Ga[5,6]N[5]2N[6])(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Ga[5,6]C[6])(C[6a]C[6a]C)2{1|C<4>,2|C<3>,2|H<1>,3|N<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Ga<4>,1|C<4>,1|H<1>,2|C<3>}	N[6](Ga[5,6]N[5]2N[6])(C[6a]C[6a]2)(C[6]C[6]C){2|Si<4>,1|H<1>,2|C<4>,2|N<2>,4|C<3>}	119.5337	1.050	4	119.5337	1.102	4	119.2142	0.933	16	119.3037	1.129	684	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Ga[5,6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]Ga[5,6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](Ga[5,6]N[6]P[5]2)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Ga[5,6]C[6])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,1|P<3>,1|P<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Ga<4>,1|C<4>,1|H<1>,2|C<3>}	N[6](Ga[5,6]N[6]P[5]2)(C[6a]C[6a]2)(C[6]C[6]C){1|Co<6>,1|H<1>,2|C<4>,3|P<3>,4|C<3>}	118.9778	0.694	8	119.1077	0.922	12	119.2142	0.933	16	119.3037	1.129	684	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Ga[5,6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]Ga[5,6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](Ga[5,6]N[6]P[5]2)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Ga[5,6]C[6])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>,2|P<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Ga<4>,1|C<4>,1|H<1>,2|C<3>}	N[6](Ga[5,6]N[6]P[5]2)(C[6a]C[6a]2)(C[6]C[6]C){1|Co<6>,1|H<1>,2|C<4>,2|P<3>,4|C<3>}	119.3678	1.457	4	119.1077	0.922	12	119.2142	0.933	16	119.3037	1.129	684	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Ga[6,6]-4:C[6]-3:C[6a]-3:	C[6a](N[6]Ga[6,6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](Ga[6,6]O[6,6]N[6]C)(C[6]N[6,6]C[6a])(C[6a]C[6a]2)	C[6a](N[6]Ga[6,6]C[6])(C[6a]C[6a]C)2{1|C<4>,1|N<2>,1|N<3>,1|O<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Ga<4>,1|C<4>,1|H<1>,2|C<3>}	N[6](Ga[6,6]O[6,6]N[6]C)(C[6]N[6,6]C[6a])(C[6a]C[6a]2){3|Ga<4>,2|C<4>,5|C<3>}	119.7620	1.755	2	119.7620	3.080	2	119.7620	3.080	2	119.3037	1.129	684	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Ga[6,6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]Ga[6,6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](Ga[6,6]N[6,6]N[6]C)(C[6a]C[6a]2)(C[6]N[6]C)	C[6a](N[6]Ga[6,6]C[6])(C[6a]C[6a]C)2{1|C<3>,2|C<4>,2|H<1>,3|N<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Ga<4>,1|C<4>,1|H<1>,2|C<3>}	N[6](Ga[6,6]N[6,6]N[6]C)(C[6a]C[6a]2)(C[6]N[6]C){1|Ga<4>,2|C<4>,2|H<1>,4|C<3>}	119.3220	0.291	4	119.3220	0.085	4	119.3220	0.085	4	119.3037	1.129	684	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Ga[6]-4:C[6]-3:C[6a]-3:	C[6a](N[6]Ga[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](Ga[6]N[6,6]CC)(C[6]C[6a]N[6])(C[6a]C[6a]2)	C[6a](N[6]Ga[6]C[6])(C[6a]C[6a]C)2{1|N<2>,1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Ga<4>,1|C<4>,1|H<1>,2|C<3>}	N[6](Ga[6]N[6,6]CC)(C[6]C[6a]N[6])(C[6a]C[6a]2){1|Ga<4>,2|C<4>,5|C<3>}	119.5515	0.204	2	119.5515	0.042	2	119.3988	0.828	4	119.3037	1.129	684	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Ga[6]-4:C[6]-3:C[6a]-3:	C[6a](N[6]Ga[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](Ga[6]O[6,6]CC)(C[6]C[6a]N[6])(C[6a]C[6a]2)	C[6a](N[6]Ga[6]C[6])(C[6a]C[6a]C)2{1|N<2>,1|O<3>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Ga<4>,1|C<4>,1|H<1>,2|C<3>}	N[6](Ga[6]O[6,6]CC)(C[6]C[6a]N[6])(C[6a]C[6a]2){2|Ga<4>,2|C<4>,4|C<3>}	119.2460	1.533	2	119.2460	2.350	2	119.3988	0.828	4	119.3037	1.129	684	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Ga[6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]Ga[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](Ga[6]As[4]C[5]N[6])(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Ga[6]C[6])(C[6a]C[6a]C)2{1|As<3>,1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Ga<4>,1|C<4>,1|H<1>,2|C<3>}	N[6](Ga[6]As[4]C[5]N[6])(C[6a]C[6a]2)(C[6]C[6]C){2|As<2>,1|H<1>,3|C<4>,6|C<3>}	119.9168	1.208	4	119.9168	1.459	4	119.3518	1.107	163	119.3037	1.129	684	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Ga[6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]Ga[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](Ga[6]C[6a]N[6]C)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Ga[6]C[6])(C[6a]C[6a]C)2{1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Ga<4>,1|C<4>,1|H<1>,2|C<3>}	N[6](Ga[6]C[6a]N[6]C)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,6|C<3>}	119.4385	0.978	4	119.4385	0.956	4	119.3518	1.107	163	119.3037	1.129	684	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Ga[6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]Ga[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](Ga[6]N[6]2P)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Ga[6]C[6])(C[6a]C[6a]C)2{1|C<4>,1|P<2>,2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Ga<4>,1|C<4>,1|H<1>,2|C<3>}	N[6](Ga[6]N[6]2P)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,6|C<3>}	119.2500	0.968	4	119.2500	0.938	4	119.3518	1.107	163	119.3037	1.129	684	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Ga[6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]Ga[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](Ga[6]N[6]BiC)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Ga[6]C[6])(C[6a]C[6a]C)2{1|Bi<3>,1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Ga<4>,1|C<4>,1|H<1>,2|C<3>}	N[6](Ga[6]N[6]BiC)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	119.4695	1.219	4	119.4695	1.485	4	119.3518	1.107	163	119.3037	1.129	684	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Ga[6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]Ga[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](Ga[6]N[6]CC)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Ga[6]C[6])(C[6a]C[6a]C)2{1|N<3>,2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Ga<4>,1|C<4>,1|H<1>,2|C<3>}	N[6](Ga[6]N[6]CC)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	119.5656	1.053	8	119.5656	1.109	8	119.3518	1.107	163	119.3037	1.129	684	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Ga[6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]Ga[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](Ga[6]N[6]Cl2)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Ga[6]C[6])(C[6a]C[6a]C)2{2|Cl<1>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Ga<4>,1|C<4>,1|H<1>,2|C<3>}	N[6](Ga[6]N[6]Cl2)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	119.2417	1.094	4	119.2417	1.197	4	119.3518	1.107	163	119.3037	1.129	684	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Ga[6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]Ga[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](Ga[6]N[6]Cl2)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](N[6]Ga[6]C[6])(C[6a]C[6a]C)2{2|Cl<1>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Ga<4>,1|C<4>,1|H<1>,2|C<3>}	N[6](Ga[6]N[6]Cl2)(C[6a]C[6a]2)(C[6]C[6]H){2|C<4>,5|C<3>}	118.6315	1.015	4	118.6315	1.031	4	119.3518	1.107	163	119.3037	1.129	684	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Ga[6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]Ga[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](Ga[6]N[6]ClC)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Ga[6]C[6])(C[6a]C[6a]C)2{1|Cl<1>,1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Ga<4>,1|C<4>,1|H<1>,2|C<3>}	N[6](Ga[6]N[6]ClC)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	119.0803	0.909	4	119.0803	0.827	4	119.3518	1.107	163	119.3037	1.129	684	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Ga[6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]Ga[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](Ga[6]N[6]ClCo)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Ga[6]C[6])(C[6a]C[6a]C)2{1|Cl<1>,1|Co<5>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Ga<4>,1|C<4>,1|H<1>,2|C<3>}	N[6](Ga[6]N[6]ClCo)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	119.2318	1.821	4	119.2318	3.316	4	119.3518	1.107	163	119.3037	1.129	684	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Ga[6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]Ga[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](Ga[6]N[6]ClRh)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Ga[6]C[6])(C[6a]C[6a]C)2{1|Cl<1>,1|Rh<9>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Ga<4>,1|C<4>,1|H<1>,2|C<3>}	N[6](Ga[6]N[6]ClRh)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	119.2900	1.107	4	119.2900	1.226	4	119.3518	1.107	163	119.3037	1.129	684	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Ga[6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]Ga[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](Ga[6]N[6]ClSb)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Ga[6]C[6])(C[6a]C[6a]C)2{1|Cl<1>,1|Sb<3>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Ga<4>,1|C<4>,1|H<1>,2|C<3>}	N[6](Ga[6]N[6]ClSb)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	119.4226	1.038	12	119.4226	1.077	12	119.3518	1.107	163	119.3037	1.129	684	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Ga[6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]Ga[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](Ga[6]N[6]ClSi)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Ga[6]C[6])(C[6a]C[6a]C)2{1|Cl<1>,1|Si<4>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Ga<4>,1|C<4>,1|H<1>,2|C<3>}	N[6](Ga[6]N[6]ClSi)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	118.9000	1.885	2	118.9000	3.554	2	119.3518	1.107	163	119.3037	1.129	684	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Ga[6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]Ga[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](Ga[6]N[6]ClSn)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Ga[6]C[6])(C[6a]C[6a]C)2{1|Cl<1>,1|Sn<4>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Ga<4>,1|C<4>,1|H<1>,2|C<3>}	N[6](Ga[6]N[6]ClSn)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	118.9346	1.260	8	118.9346	1.588	8	119.3518	1.107	163	119.3037	1.129	684	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Ga[6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]Ga[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](Ga[6]N[6]HO)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Ga[6]C[6])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Ga<4>,1|C<4>,1|H<1>,2|C<3>}	N[6](Ga[6]N[6]HO)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	119.1102	0.524	11	119.1102	0.275	11	119.3518	1.107	163	119.3037	1.129	684	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Ga[6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]Ga[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](Ga[6]N[6]II)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Ga[6]C[6])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>,2|I<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Ga<4>,1|C<4>,1|H<1>,2|C<3>}	N[6](Ga[6]N[6]II)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	119.2945	1.633	4	119.2945	2.667	4	119.3518	1.107	163	119.3037	1.129	684	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Ga[6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]Ga[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](Ga[6]N[6]InC)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Ga[6]C[6])(C[6a]C[6a]C)2{1|In<3>,1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Ga<4>,1|C<4>,1|H<1>,2|C<3>}	N[6](Ga[6]N[6]InC)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	119.5277	0.571	8	119.5471	0.478	12	119.3518	1.107	163	119.3037	1.129	684	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Ga[6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]Ga[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](Ga[6]N[6]InC)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Ga[6]C[6])(C[6a]C[6a]C)2{1|In<4>,1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Ga<4>,1|C<4>,1|H<1>,2|C<3>}	N[6](Ga[6]N[6]InC)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	119.5858	0.994	4	119.5471	0.478	12	119.3518	1.107	163	119.3037	1.129	684	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Ga[6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]Ga[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](Ga[6]N[6]NN)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Ga[6]C[6])(C[6a]C[6a]C)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Ga<4>,1|C<4>,1|H<1>,2|C<3>}	N[6](Ga[6]N[6]NN)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	119.6907	1.465	4	119.6907	2.146	4	119.3518	1.107	163	119.3037	1.129	684	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Ga[6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]Ga[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](Ga[6]N[6]NO)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Ga[6]C[6])(C[6a]C[6a]C)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Ga<4>,1|C<4>,1|H<1>,2|C<3>}	N[6](Ga[6]N[6]NO)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	119.2558	1.007	4	119.2558	1.014	4	119.3518	1.107	163	119.3037	1.129	684	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Ga[6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]Ga[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](Ga[6]N[6]Ni2)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Ga[6]C[6])(C[6a]C[6a]C)2{2|Ni<5>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Ga<4>,1|C<4>,1|H<1>,2|C<3>}	N[6](Ga[6]N[6]Ni2)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	119.4535	1.256	4	119.4535	1.577	4	119.3518	1.107	163	119.3037	1.129	684	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Ga[6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]Ga[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](Ga[6]N[6]P[6]I)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Ga[6]C[6])(C[6a]C[6a]C)2{1|C<4>,1|I<1>,1|N<3>,1|P<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Ga<4>,1|C<4>,1|H<1>,2|C<3>}	N[6](Ga[6]N[6]P[6]I)(C[6a]C[6a]2)(C[6]C[6]C){1|Fe<11>,1|H<1>,4|C<3>,4|C<4>}	119.3667	1.363	4	119.3667	1.859	4	119.3518	1.107	163	119.3037	1.129	684	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Ga[6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]Ga[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](Ga[6]N[6]RhO)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Ga[6]C[6])(C[6a]C[6a]C)2{1|Rh<9>,1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Ga<4>,1|C<4>,1|H<1>,2|C<3>}	N[6](Ga[6]N[6]RhO)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	119.1402	1.512	4	119.1402	2.287	4	119.3518	1.107	163	119.3037	1.129	684	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Ga[6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]Ga[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](Ga[6]N[6]Te2)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Ga[6]C[6])(C[6a]C[6a]C)2{2|Te<2>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Ga<4>,1|C<4>,1|H<1>,2|C<3>}	N[6](Ga[6]N[6]Te2)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	119.7193	1.586	4	119.4349	1.947	8	119.3518	1.107	163	119.3037	1.129	684	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Ga[6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]Ga[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](Ga[6]N[6]Te2)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Ga[6]C[6])(C[6a]C[6a]C)2{2|Te<3>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Ga<4>,1|C<4>,1|H<1>,2|C<3>}	N[6](Ga[6]N[6]Te2)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	119.1505	1.347	4	119.4349	1.947	8	119.3518	1.107	163	119.3037	1.129	684	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Ga[6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]Ga[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](Ga[6]N[6]TeC)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Ga[6]C[6])(C[6a]C[6a]C)2{1|Te<2>,1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Ga<4>,1|C<4>,1|H<1>,2|C<3>}	N[6](Ga[6]N[6]TeC)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	119.5090	1.194	2	119.5090	1.425	2	119.3518	1.107	163	119.3037	1.129	684	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Ga[6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]Ga[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](Ga[6]N[6]ZnC)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Ga[6]C[6])(C[6a]C[6a]C)2{1|Zn<2>,1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Ga<4>,1|C<4>,1|H<1>,2|C<3>}	N[6](Ga[6]N[6]ZnC)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	119.4423	0.703	8	119.4423	0.494	8	119.3518	1.107	163	119.3037	1.129	684	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Ga[6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]Ga[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](Ga[6]P[5,5]N[6]Cl)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Ga[6]C[6])(C[6a]C[6a]C)2{1|Cl<1>,1|C<4>,1|N<3>,1|P<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Ga<4>,1|C<4>,1|H<1>,2|C<3>}	N[6](Ga[6]P[5,5]N[6]Cl)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,2|P<3>,4|C<3>}	119.1043	1.295	4	119.1043	1.678	4	119.3518	1.107	163	119.3037	1.129	684	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Ga[6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]Ga[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](Ga[6]P[5,5]N[6]O)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Ga[6]C[6])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,1|O<2>,1|P<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Ga<4>,1|C<4>,1|H<1>,2|C<3>}	N[6](Ga[6]P[5,5]N[6]O)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,2|P<3>,4|C<3>}	119.0938	0.995	4	119.0938	0.990	4	119.3518	1.107	163	119.3037	1.129	684	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Ga[6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]Ga[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3)	N[6](Ga[6]N[6]CC)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Ga[6]C[6])(C[6a]C[6a]C)2{1|N<3>,2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3){1|Ga<4>,2|C<3>,2|C<4>}	N[6](Ga[6]N[6]CC)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	119.6240	1.249	8	119.6240	1.559	8	119.3518	1.107	163	119.3037	1.129	684	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Ga[6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]Ga[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3)	N[6](Ga[6]N[6]ClO)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Ga[6]C[6])(C[6a]C[6a]C)2{1|Cl<1>,1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3){1|Ga<4>,2|C<3>,2|C<4>}	N[6](Ga[6]N[6]ClO)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	119.3870	1.469	4	119.3870	2.158	4	119.3518	1.107	163	119.3037	1.129	684	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Ga[6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]Ga[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3)	N[6](Ga[6]N[6]GaI)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Ga[6]C[6])(C[6a]C[6a]C)2{1|Ga<3>,1|C<4>,1|I<1>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3){1|Ga<4>,2|C<3>,2|C<4>}	N[6](Ga[6]N[6]GaI)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	119.9305	0.820	4	119.6402	0.653	8	119.3518	1.107	163	119.3037	1.129	684	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Ga[6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]Ga[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3)	N[6](Ga[6]N[6]GaI)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Ga[6]C[6])(C[6a]C[6a]C)2{1|Ga<4>,1|C<4>,1|I<1>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3){1|Ga<4>,2|C<3>,2|C<4>}	N[6](Ga[6]N[6]GaI)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	119.3500	0.792	4	119.6402	0.653	8	119.3518	1.107	163	119.3037	1.129	684	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Ga[6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]Ga[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3)	N[6](Ga[6]N[6]OO)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Ga[6]C[6])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>,2|O<2>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3){1|Ga<4>,2|C<3>,2|C<4>}	N[6](Ga[6]N[6]OO)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	119.2977	1.494	4	119.2977	2.233	4	119.3518	1.107	163	119.3037	1.129	684	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Ge[4,6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]Ge[4,6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](Ge[4,6]As[4]2N[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](N[6]Ge[4,6]C[6])(C[6a]C[6a]C)2{2|As<2>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Ge<4>,1|C<4>,1|H<1>,2|C<3>}	N[6](Ge[4,6]As[4]2N[6])(C[6a]C[6a]2)(C[6]C[6]H){1|Ge<4>,1|H<1>,2|C<4>,4|C<3>}	118.7340	0.855	8	118.7340	0.731	8	118.7013	0.506	12	119.3037	1.129	684	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Ge[4,6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]Ge[4,6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](Ge[4,6]N[6]P[4]2)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Ge[4,6]C[6])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>,2|P<2>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Ge<4>,1|C<4>,1|H<1>,2|C<3>}	N[6](Ge[4,6]N[6]P[4]2)(C[6a]C[6a]2)(C[6]C[6]C){1|Ge<4>,1|H<1>,2|C<4>,4|C<3>}	118.6360	0.378	4	118.6360	0.143	4	118.7013	0.506	12	119.3037	1.129	684	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Ge[6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](Ge[6]C[5]N[6]O)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Ge<4>,1|C<4>,1|H<1>,2|C<3>}	N[6](Ge[6]C[5]N[6]O)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,2|N<3>,4|C<3>}	119.5763	0.468	4	119.7111	0.174	8	119.2374	0.830	72	119.3037	1.129	684	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Ge[6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](Ge[6]C[5]N[6]O)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2{1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Ge<4>,1|C<4>,1|H<1>,2|C<3>}	N[6](Ge[6]C[5]N[6]O)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,2|N<3>,4|C<3>}	119.8460	0.371	4	119.7111	0.174	8	119.2374	0.830	72	119.3037	1.129	684	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Ge[6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](Ge[6]N[6]AgC)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2{1|Ag<2>,1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Ge<4>,1|C<4>,1|H<1>,2|C<3>}	N[6](Ge[6]N[6]AgC)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	119.1238	1.893	4	119.1238	3.584	4	119.2374	0.830	72	119.3037	1.129	684	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Ge[6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](Ge[6]N[6]CS)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2{1|N<3>,1|S<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Ge<4>,1|C<4>,1|H<1>,2|C<3>}	N[6](Ge[6]N[6]CS)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	119.2117	1.003	8	119.2117	1.006	8	119.2374	0.830	72	119.3037	1.129	684	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Ge[6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](Ge[6]N[6]ClS)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2{1|Cl<1>,1|C<4>,1|N<3>,1|S<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Ge<4>,1|C<4>,1|H<1>,2|C<3>}	N[6](Ge[6]N[6]ClS)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	119.1405	0.744	8	119.1405	0.553	8	119.2374	0.830	72	119.3037	1.129	684	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Ge[6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](Ge[6]N[6]ClSe)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2{1|Cl<1>,1|Se<1>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Ge<4>,1|C<4>,1|H<1>,2|C<3>}	N[6](Ge[6]N[6]ClSe)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	119.0175	0.852	4	119.0175	0.726	4	119.2374	0.830	72	119.3037	1.129	684	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Ge[6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](Ge[6]N[6]FS)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2{1|C<4>,1|F<1>,1|N<3>,1|S<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Ge<4>,1|C<4>,1|H<1>,2|C<3>}	N[6](Ge[6]N[6]FS)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	118.8808	0.552	8	118.8808	0.305	8	119.2374	0.830	72	119.3037	1.129	684	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Ge[6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](Ge[6]N[6]FeO)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2{1|Fe<5>,1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Ge<4>,1|C<4>,1|H<1>,2|C<3>}	N[6](Ge[6]N[6]FeO)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	119.0917	0.273	4	119.0917	0.074	4	119.2374	0.830	72	119.3037	1.129	684	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Ge[6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](Ge[6]N[6]MnO)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2{1|Mn<8>,1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Ge<4>,1|C<4>,1|H<1>,2|C<3>}	N[6](Ge[6]N[6]MnO)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	119.2365	0.882	4	119.2365	0.778	4	119.2374	0.830	72	119.3037	1.129	684	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Ge[6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](Ge[6]N[6]NN)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Ge<4>,1|C<4>,1|H<1>,2|C<3>}	N[6](Ge[6]N[6]NN)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	119.8050	0.952	2	119.8942	0.915	4	119.2374	0.830	72	119.3037	1.129	684	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Ge[6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](Ge[6]N[6]NN)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2{1|N<2>,2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Ge<4>,1|C<4>,1|H<1>,2|C<3>}	N[6](Ge[6]N[6]NN)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	119.9835	1.344	2	119.8942	0.915	4	119.2374	0.830	72	119.3037	1.129	684	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Ge[6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](Ge[6]N[6]SS)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,1|S<1>,1|S<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Ge<4>,1|C<4>,1|H<1>,2|C<3>}	N[6](Ge[6]N[6]SS)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	119.1284	0.971	8	119.1284	0.944	8	119.2374	0.830	72	119.3037	1.129	684	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Ge[6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](Ge[6]N[6]SeP)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2{1|Se<1>,1|C<4>,1|N<3>,1|P<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Ge<4>,1|C<4>,1|H<1>,2|C<3>}	N[6](Ge[6]N[6]SeP)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	119.2549	1.160	12	119.2549	1.345	12	119.2374	0.830	72	119.3037	1.129	684	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	In[6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]In[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](In[6]In[6]N[6]Cl)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](N[6]In[6]C[6])(C[6a]C[6a]C)2{1|Cl<1>,1|In<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|In<4>,1|C<4>,1|H<1>,2|C<3>}	N[6](In[6]In[6]N[6]Cl)(C[6a]C[6a]2)(C[6]C[6]H){1|Cl<1>,2|C<4>,2|N<3>,5|C<3>}	118.5933	0.727	12	118.5933	0.528	12	119.1243	1.261	62	119.3037	1.129	684	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	In[6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]In[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](In[6]N[6]BiC)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]In[6]C[6])(C[6a]C[6a]C)2{1|Bi<3>,1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|In<4>,1|C<4>,1|H<1>,2|C<3>}	N[6](In[6]N[6]BiC)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	119.5985	1.329	4	119.5985	1.766	4	119.1243	1.261	62	119.3037	1.129	684	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	In[6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]In[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](In[6]N[6]BrC)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]In[6]C[6])(C[6a]C[6a]C)2{1|Br<1>,1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|In<4>,1|C<4>,1|H<1>,2|C<3>}	N[6](In[6]N[6]BrC)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	118.9685	1.265	4	118.9685	1.600	4	119.1243	1.261	62	119.3037	1.129	684	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	In[6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]In[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](In[6]N[6]CC)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]In[6]C[6])(C[6a]C[6a]C)2{1|N<3>,2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|In<4>,1|C<4>,1|H<1>,2|C<3>}	N[6](In[6]N[6]CC)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	119.5132	1.205	4	119.5132	1.452	4	119.1243	1.261	62	119.3037	1.129	684	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	In[6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]In[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](In[6]N[6]CI)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]In[6]C[6])(C[6a]C[6a]C)2{1|I<1>,1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|In<4>,1|C<4>,1|H<1>,2|C<3>}	N[6](In[6]N[6]CI)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	119.1750	2.004	2	119.1750	4.016	2	119.1243	1.261	62	119.3037	1.129	684	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	In[6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]In[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](In[6]N[6]ClS)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](N[6]In[6]C[6])(C[6a]C[6a]C)2{1|Cl<1>,1|N<3>,1|S<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|In<4>,1|C<4>,1|H<1>,2|C<3>}	N[6](In[6]N[6]ClS)(C[6a]C[6a]2)(C[6]C[6]H){2|C<4>,5|C<3>}	118.9105	0.745	8	118.9105	0.554	8	119.1243	1.261	62	119.3037	1.129	684	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	In[6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]In[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](In[6]N[6]FeI)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]In[6]C[6])(C[6a]C[6a]C)2{1|Fe<8>,1|C<4>,1|I<1>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|In<4>,1|C<4>,1|H<1>,2|C<3>}	N[6](In[6]N[6]FeI)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	119.4324	1.388	12	119.4324	1.926	12	119.1243	1.261	62	119.3037	1.129	684	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	In[6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]In[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](In[6]N[6]II)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]In[6]C[6])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>,2|I<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|In<4>,1|C<4>,1|H<1>,2|C<3>}	N[6](In[6]N[6]II)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	119.2527	1.631	4	119.2527	2.660	4	119.1243	1.261	62	119.3037	1.129	684	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	In[6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]In[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](In[6]N[6]NN)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](N[6]In[6]C[6])(C[6a]C[6a]C)2{1|N<2>,2|C<3>,2|N<3>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|In<4>,1|C<4>,1|H<1>,2|C<3>}	N[6](In[6]N[6]NN)(C[6a]C[6a]2)(C[6]C[6]H){2|C<4>,5|C<3>}	119.0823	0.818	4	119.0823	0.669	4	119.1243	1.261	62	119.3037	1.129	684	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	In[6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]In[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](In[6]N[6]SS)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]In[6]C[6])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>,2|S<2>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|In<4>,1|C<4>,1|H<1>,2|C<3>}	N[6](In[6]N[6]SS)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,3|C<3>,3|C<4>}	119.1660	1.405	4	119.1660	1.974	4	119.1243	1.261	62	119.3037	1.129	684	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	In[6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]In[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3)	N[6](In[6]In[6]N[6]Br)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]In[6]C[6])(C[6a]C[6a]C)2{1|Br<1>,1|In<4>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3){1|In<4>,2|C<3>,2|C<4>}	N[6](In[6]In[6]N[6]Br)(C[6a]C[6a]2)(C[6]C[6]C){1|Br<1>,1|H<1>,2|C<4>,2|N<3>,4|C<3>}	119.3595	1.271	4	119.3595	1.616	4	119.1243	1.261	62	119.3037	1.129	684	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Nb[6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]Nb[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](Nb[6]N[6]NN)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Nb[6]C[6])(C[6a]C[6a]C)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Nb<4>,1|C<4>,1|H<1>,2|C<3>}	N[6](Nb[6]N[6]NN)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	119.1993	0.920	4	119.1244	1.093	14	119.1244	1.093	14	119.3037	1.129	684	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Nb[6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]Nb[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](Nb[6]N[6]NN)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Nb[6]C[6])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Nb<4>,1|C<4>,1|H<1>,2|C<3>}	N[6](Nb[6]N[6]NN)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	119.1679	1.007	8	119.1244	1.093	14	119.1244	1.093	14	119.3037	1.129	684	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Nb[6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]Nb[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](Nb[6]N[6]NN)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Nb[6]C[6])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Nb<4>,1|C<4>,1|H<1>,2|C<3>}	N[6](Nb[6]N[6]NN)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,3|C<3>,3|C<4>}	118.8010	2.079	2	119.1244	1.093	14	119.1244	1.093	14	119.3037	1.129	684	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	P[6]-4:C[6a]-3:B[6]-3:	C[6a](N[6]B[6]P[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3)	N[6](P[6]C[6a]2N[6])(C[6a]C[6a]2)(B[6]N[6]S)	C[6a](N[6]B[6]P[6])(C[6a]C[6a]C)2{1|N<2>,1|N<3>,1|S<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3){1|B<3>,1|C<3>,1|P<4>,2|C<4>}	N[6](P[6]C[6a]2N[6])(C[6a]C[6a]2)(B[6]N[6]S){1|P<4>,2|C<4>,7|C<3>}	119.6735	1.523	4	119.6735	2.320	4	119.6995	1.698	8	119.3037	1.129	684	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	P[6]-4:C[6a]-3:B[6]-3:	C[6a](N[6]B[6]P[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3)	N[6](P[6]C[6a]2N[6])(C[6a]C[6a]2)(B[6]N[6]Se)	C[6a](N[6]B[6]P[6])(C[6a]C[6a]C)2{1|Se<1>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3){1|B<3>,1|C<3>,1|P<4>,2|C<4>}	N[6](P[6]C[6a]2N[6])(C[6a]C[6a]2)(B[6]N[6]Se){1|P<4>,2|C<4>,7|C<3>}	119.7255	1.281	4	119.7255	1.640	4	119.6995	1.698	8	119.3037	1.129	684	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Si[5,6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]Si[5,6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](Si[5,6]C[5,6]N[5]N[6])(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Si[5,6]C[6])(C[6a]C[6a]C)2{1|C<4>,2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Si<4>,1|C<4>,1|H<1>,2|C<3>}	N[6](Si[5,6]C[5,6]N[5]N[6])(C[6a]C[6a]2)(C[6]C[6]C){1|N<3>,2|C<4>,2|H<1>,7|C<3>}	119.4530	0.434	2	119.5002	0.417	4	119.4078	0.564	20	119.3037	1.129	684	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Si[5,6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]Si[5,6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](Si[5,6]C[5,6]N[5]N[6])(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Si[5,6]C[6])(C[6a]C[6a]C)2{2|C<3>,2|C<4>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Si<4>,1|C<4>,1|H<1>,2|C<3>}	N[6](Si[5,6]C[5,6]N[5]N[6])(C[6a]C[6a]2)(C[6]C[6]C){1|N<3>,2|C<4>,2|H<1>,7|C<3>}	119.5475	1.026	2	119.5002	0.417	4	119.4078	0.564	20	119.3037	1.129	684	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Si[5,6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]Si[5,6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](Si[5,6]C[5,6a]N[5]N[6])(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Si[5,6]C[6])(C[6a]C[6a]C)2{1|C<4>,2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Si<4>,1|C<4>,1|H<1>,2|C<3>}	N[6](Si[5,6]C[5,6a]N[5]N[6])(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,1|N<3>,2|C<4>,7|C<3>}	119.2290	1.141	2	119.2825	0.438	4	119.4078	0.564	20	119.3037	1.129	684	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Si[5,6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]Si[5,6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](Si[5,6]C[5,6a]N[5]N[6])(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Si[5,6]C[6])(C[6a]C[6a]C)2{2|H<1>,2|N<3>,4|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Si<4>,1|C<4>,1|H<1>,2|C<3>}	N[6](Si[5,6]C[5,6a]N[5]N[6])(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,1|N<3>,2|C<4>,7|C<3>}	119.3360	0.037	2	119.2825	0.438	4	119.4078	0.564	20	119.3037	1.129	684	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Si[5,6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]Si[5,6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](Si[5,6]C[5]2N[6])(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Si[5,6]C[6])(C[6a]C[6a]C)2{1|N<3>,2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Si<4>,1|C<4>,1|H<1>,2|C<3>}	N[6](Si[5,6]C[5]2N[6])(C[6a]C[6a]2)(C[6]C[6]C){2|C<4>,5|H<1>,6|C<3>}	119.6090	0.994	2	119.5435	0.668	4	119.4078	0.564	20	119.3037	1.129	684	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Si[5,6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]Si[5,6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](Si[5,6]C[5]2N[6])(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Si[5,6]C[6])(C[6a]C[6a]C)2{1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Si<4>,1|C<4>,1|H<1>,2|C<3>}	N[6](Si[5,6]C[5]2N[6])(C[6a]C[6a]2)(C[6]C[6]C){2|C<4>,5|H<1>,6|C<3>}	119.4780	1.000	2	119.5435	0.668	4	119.4078	0.564	20	119.3037	1.129	684	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Si[5,6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]Si[5,6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](Si[5,6]N[5,6]N[6]O[5])(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Si[5,6]C[6])(C[6a]C[6a]C)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Si<4>,1|C<4>,1|H<1>,2|C<3>}	N[6](Si[5,6]N[5,6]N[6]O[5])(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,7|C<3>}	119.4425	1.066	2	119.3765	0.681	4	119.4078	0.564	20	119.3037	1.129	684	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Si[5,6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]Si[5,6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](Si[5,6]N[5,6]N[6]O[5])(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Si[5,6]C[6])(C[6a]C[6a]C)2{1|O<2>,2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Si<4>,1|C<4>,1|H<1>,2|C<3>}	N[6](Si[5,6]N[5,6]N[6]O[5])(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,7|C<3>}	119.3105	0.944	2	119.3765	0.681	4	119.4078	0.564	20	119.3037	1.129	684	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Si[5,6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]Si[5,6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](Si[5,6]N[5]N[6]O[5])(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Si[5,6]C[6])(C[6a]C[6a]C)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Si<4>,1|C<4>,1|H<1>,2|C<3>}	N[6](Si[5,6]N[5]N[6]O[5])(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,1|N<2>,2|C<4>,6|C<3>}	119.2845	1.616	2	119.3360	1.304	4	119.4078	0.564	20	119.3037	1.129	684	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Si[5,6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]Si[5,6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](Si[5,6]N[5]N[6]O[5])(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Si[5,6]C[6])(C[6a]C[6a]C)2{1|O<2>,2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Si<4>,1|C<4>,1|H<1>,2|C<3>}	N[6](Si[5,6]N[5]N[6]O[5])(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,1|N<2>,2|C<4>,6|C<3>}	119.3875	1.136	2	119.3360	1.304	4	119.4078	0.564	20	119.3037	1.129	684	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Si[6,6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]Si[6,6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](Si[6,6]C[6]2N[6])(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Si[6,6]C[6])(C[6a]C[6a]C)2{1|N<3>,2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Si<4>,1|C<4>,1|H<1>,2|C<3>}	N[6](Si[6,6]C[6]2N[6])(C[6a]C[6a]2)(C[6]C[6]C){1|N<3>,3|H<1>,4|C<4>,5|C<3>}	119.6645	1.199	2	119.7460	1.292	4	119.7460	1.292	4	119.3037	1.129	684	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Si[6,6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]Si[6,6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](Si[6,6]C[6]2N[6])(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Si[6,6]C[6])(C[6a]C[6a]C)2{1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Si<4>,1|C<4>,1|H<1>,2|C<3>}	N[6](Si[6,6]C[6]2N[6])(C[6a]C[6a]2)(C[6]C[6]C){1|N<3>,3|H<1>,4|C<4>,5|C<3>}	119.8275	1.554	2	119.7460	1.292	4	119.7460	1.292	4	119.3037	1.129	684	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Si[6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]Si[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](Si[6]C[6a]N[6]F)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Si[6]C[6])(C[6a]C[6a]C)2{1|C<4>,1|F<1>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Si<4>,1|C<4>,1|H<1>,2|C<3>}	N[6](Si[6]C[6a]N[6]F)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,6|C<3>}	119.3740	1.280	2	119.4048	0.645	4	119.3619	0.668	138	119.3037	1.129	684	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Si[6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]Si[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](Si[6]C[6a]N[6]F)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Si[6]C[6])(C[6a]C[6a]C)2{1|F<1>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Si<4>,1|C<4>,1|H<1>,2|C<3>}	N[6](Si[6]C[6a]N[6]F)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,6|C<3>}	119.4355	0.542	2	119.4048	0.645	4	119.3619	0.668	138	119.3037	1.129	684	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Si[6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]Si[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](Si[6]C[6a]N[6]H)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Si[6]C[6])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Si<4>,1|C<4>,1|H<1>,2|C<3>}	N[6](Si[6]C[6a]N[6]H)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,6|C<3>}	119.2550	1.270	2	119.3543	0.603	4	119.3619	0.668	138	119.3037	1.129	684	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Si[6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]Si[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](Si[6]C[6a]N[6]H)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Si[6]C[6])(C[6a]C[6a]C)2{1|N<3>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Si<4>,1|C<4>,1|H<1>,2|C<3>}	N[6](Si[6]C[6a]N[6]H)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,6|C<3>}	119.4535	0.395	2	119.3543	0.603	4	119.3619	0.668	138	119.3037	1.129	684	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Si[6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]Si[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](Si[6]C[6a]N[6]N)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Si[6]C[6])(C[6a]C[6a]C)2{1|C<4>,2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Si<4>,1|C<4>,1|H<1>,2|C<3>}	N[6](Si[6]C[6a]N[6]N)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,1|N<2>,2|C<4>,5|C<3>}	119.5010	1.514	4	119.5890	1.136	8	119.3619	0.668	138	119.3037	1.129	684	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Si[6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]Si[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](Si[6]C[6a]N[6]N)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Si[6]C[6])(C[6a]C[6a]C)2{2|H<1>,2|N<3>,4|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Si<4>,1|C<4>,1|H<1>,2|C<3>}	N[6](Si[6]C[6a]N[6]N)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,1|N<2>,2|C<4>,5|C<3>}	119.6770	0.582	4	119.5890	1.136	8	119.3619	0.668	138	119.3037	1.129	684	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Si[6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]Si[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](Si[6]N[6]2O)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Si[6]C[6])(C[6a]C[6a]C)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Si<4>,1|C<4>,1|H<1>,2|C<3>}	N[6](Si[6]N[6]2O)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,6|C<3>}	119.6580	0.827	2	119.3577	0.361	8	119.3619	0.668	138	119.3037	1.129	684	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Si[6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]Si[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](Si[6]N[6]2O)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Si[6]C[6])(C[6a]C[6a]C)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Si<4>,1|C<4>,1|H<1>,2|C<3>}	N[6](Si[6]N[6]2O)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,6|C<3>}	119.2205	1.074	2	119.3577	0.361	8	119.3619	0.668	138	119.3037	1.129	684	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Si[6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]Si[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](Si[6]N[6]2O)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Si[6]C[6])(C[6a]C[6a]C)2{1|O<1>,2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Si<4>,1|C<4>,1|H<1>,2|C<3>}	N[6](Si[6]N[6]2O)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,6|C<3>}	119.3015	0.415	2	119.3577	0.361	8	119.3619	0.668	138	119.3037	1.129	684	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Si[6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]Si[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](Si[6]N[6]2O)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Si[6]C[6])(C[6a]C[6a]C)2{1|O<2>,2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Si<4>,1|C<4>,1|H<1>,2|C<3>}	N[6](Si[6]N[6]2O)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,6|C<3>}	119.2510	0.522	2	119.3577	0.361	8	119.3619	0.668	138	119.3037	1.129	684	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Si[6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]Si[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](Si[6]N[6]2P)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Si[6]C[6])(C[6a]C[6a]C)2{1|C<4>,1|P<3>,2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Si<4>,1|C<4>,1|H<1>,2|C<3>}	N[6](Si[6]N[6]2P)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,6|C<3>}	119.7515	0.960	2	119.6448	1.255	4	119.3619	0.668	138	119.3037	1.129	684	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Si[6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]Si[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](Si[6]N[6]2P)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Si[6]C[6])(C[6a]C[6a]C)2{1|P<3>,2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Si<4>,1|C<4>,1|H<1>,2|C<3>}	N[6](Si[6]N[6]2P)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,6|C<3>}	119.5380	1.673	2	119.6448	1.255	4	119.3619	0.668	138	119.3037	1.129	684	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Si[6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]Si[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](Si[6]N[6]Br2)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Si[6]C[6])(C[6a]C[6a]C)2{2|Br<1>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Si<4>,1|C<4>,1|H<1>,2|C<3>}	N[6](Si[6]N[6]Br2)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	119.2205	1.582	2	119.3607	1.008	4	119.3619	0.668	138	119.3037	1.129	684	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Si[6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]Si[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](Si[6]N[6]Br2)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Si[6]C[6])(C[6a]C[6a]C)2{2|Br<1>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Si<4>,1|C<4>,1|H<1>,2|C<3>}	N[6](Si[6]N[6]Br2)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	119.5010	0.665	2	119.3607	1.008	4	119.3619	0.668	138	119.3037	1.129	684	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Si[6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]Si[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](Si[6]N[6]BrC)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Si[6]C[6])(C[6a]C[6a]C)2{1|Br<1>,1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Si<4>,1|C<4>,1|H<1>,2|C<3>}	N[6](Si[6]N[6]BrC)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	119.4330	1.327	2	119.4350	1.465	4	119.3619	0.668	138	119.3037	1.129	684	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Si[6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]Si[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](Si[6]N[6]BrC)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Si[6]C[6])(C[6a]C[6a]C)2{1|Br<1>,1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Si<4>,1|C<4>,1|H<1>,2|C<3>}	N[6](Si[6]N[6]BrC)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	119.4370	1.624	2	119.4350	1.465	4	119.3619	0.668	138	119.3037	1.129	684	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Si[6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]Si[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](Si[6]N[6]BrN)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Si[6]C[6])(C[6a]C[6a]C)2{1|Br<1>,1|C<4>,2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Si<4>,1|C<4>,1|H<1>,2|C<3>}	N[6](Si[6]N[6]BrN)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	119.3842	1.398	4	119.4920	0.877	8	119.3619	0.668	138	119.3037	1.129	684	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Si[6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]Si[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](Si[6]N[6]BrN)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Si[6]C[6])(C[6a]C[6a]C)2{1|Br<1>,2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Si<4>,1|C<4>,1|H<1>,2|C<3>}	N[6](Si[6]N[6]BrN)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	119.5998	0.245	4	119.4920	0.877	8	119.3619	0.668	138	119.3037	1.129	684	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Si[6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]Si[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](Si[6]N[6]CH)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Si[6]C[6])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Si<4>,1|C<4>,1|H<1>,2|C<3>}	N[6](Si[6]N[6]CH)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	119.3295	1.093	4	119.4851	0.567	8	119.3619	0.668	138	119.3037	1.129	684	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Si[6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]Si[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](Si[6]N[6]CH)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Si[6]C[6])(C[6a]C[6a]C)2{1|N<3>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Si<4>,1|C<4>,1|H<1>,2|C<3>}	N[6](Si[6]N[6]CH)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	119.6407	0.253	4	119.4851	0.567	8	119.3619	0.668	138	119.3037	1.129	684	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Si[6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]Si[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](Si[6]N[6]Cl2)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Si[6]C[6])(C[6a]C[6a]C)2{2|Cl<1>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Si<4>,1|C<4>,1|H<1>,2|C<3>}	N[6](Si[6]N[6]Cl2)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	119.4910	1.049	2	119.3192	0.422	4	119.3619	0.668	138	119.3037	1.129	684	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Si[6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]Si[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](Si[6]N[6]Cl2)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Si[6]C[6])(C[6a]C[6a]C)2{2|Cl<1>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Si<4>,1|C<4>,1|H<1>,2|C<3>}	N[6](Si[6]N[6]Cl2)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	119.1475	0.220	2	119.3192	0.422	4	119.3619	0.668	138	119.3037	1.129	684	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Si[6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]Si[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](Si[6]N[6]Cl2)(C[6a]C[6a]2)(C[6]N[6]N)	C[6a](N[6]Si[6]C[6])(C[6a]C[6a]C)2{2|Cl<1>,1|C<3>,1|N<3>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Si<4>,1|C<4>,1|H<1>,2|C<3>}	N[6](Si[6]N[6]Cl2)(C[6a]C[6a]2)(C[6]N[6]N){2|C<4>,3|C<3>}	119.1885	0.490	2	119.1885	0.240	2	119.3619	0.668	138	119.3037	1.129	684	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Si[6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]Si[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](Si[6]N[6]ClC)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Si[6]C[6])(C[6a]C[6a]C)2{1|Cl<1>,1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Si<4>,1|C<4>,1|H<1>,2|C<3>}	N[6](Si[6]N[6]ClC)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	119.5265	0.916	2	119.3680	0.727	4	119.3619	0.668	138	119.3037	1.129	684	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Si[6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]Si[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](Si[6]N[6]ClC)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Si[6]C[6])(C[6a]C[6a]C)2{1|Cl<1>,1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Si<4>,1|C<4>,1|H<1>,2|C<3>}	N[6](Si[6]N[6]ClC)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	119.2095	1.115	2	119.3680	0.727	4	119.3619	0.668	138	119.3037	1.129	684	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Si[6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]Si[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](Si[6]N[6]ClH)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](N[6]Si[6]C[6])(C[6a]C[6a]C)2{1|Cl<1>,1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Si<4>,1|C<4>,1|H<1>,2|C<3>}	N[6](Si[6]N[6]ClH)(C[6a]C[6a]2)(C[6]C[6]H){1|H<1>,3|C<3>,3|C<4>}	119.4505	0.933	2	119.4505	0.870	2	119.3619	0.668	138	119.3037	1.129	684	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Si[6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]Si[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](Si[6]N[6]ClP)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Si[6]C[6])(C[6a]C[6a]C)2{1|Cl<1>,1|C<4>,1|N<3>,1|P<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Si<4>,1|C<4>,1|H<1>,2|C<3>}	N[6](Si[6]N[6]ClP)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	119.2800	1.394	2	119.3020	0.675	4	119.3619	0.668	138	119.3037	1.129	684	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Si[6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]Si[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](Si[6]N[6]ClP)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Si[6]C[6])(C[6a]C[6a]C)2{1|Cl<1>,1|N<3>,1|P<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Si<4>,1|C<4>,1|H<1>,2|C<3>}	N[6](Si[6]N[6]ClP)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	119.3240	0.280	2	119.3020	0.675	4	119.3619	0.668	138	119.3037	1.129	684	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Si[6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]Si[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](Si[6]N[6]ClSi)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Si[6]C[6])(C[6a]C[6a]C)2{1|Cl<1>,1|Si<4>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Si<4>,1|C<4>,1|H<1>,2|C<3>}	N[6](Si[6]N[6]ClSi)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	119.2675	0.839	2	119.1995	1.012	4	119.3619	0.668	138	119.3037	1.129	684	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Si[6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]Si[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](Si[6]N[6]ClSi)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Si[6]C[6])(C[6a]C[6a]C)2{1|Cl<1>,1|Si<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Si<4>,1|C<4>,1|H<1>,2|C<3>}	N[6](Si[6]N[6]ClSi)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	119.1315	1.521	2	119.1995	1.012	4	119.3619	0.668	138	119.3037	1.129	684	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Si[6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]Si[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](Si[6]N[6]HN)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Si[6]C[6])(C[6a]C[6a]C)2{1|C<4>,2|C<3>,2|N<3>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Si<4>,1|C<4>,1|H<1>,2|C<3>}	N[6](Si[6]N[6]HN)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	119.2237	0.610	4	119.2666	0.210	8	119.3619	0.668	138	119.3037	1.129	684	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Si[6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]Si[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](Si[6]N[6]HN)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Si[6]C[6])(C[6a]C[6a]C)2{2|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Si<4>,1|C<4>,1|H<1>,2|C<3>}	N[6](Si[6]N[6]HN)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	119.3095	0.337	4	119.2666	0.210	8	119.3619	0.668	138	119.3037	1.129	684	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Si[6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]Si[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](Si[6]N[6]HN)(C[6a]C[6a]2)(C[6]C[6]N)	C[6a](N[6]Si[6]C[6])(C[6a]C[6a]C)2{2|C<3>,3|H<1>,3|N<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Si<4>,1|C<4>,1|H<1>,2|C<3>}	N[6](Si[6]N[6]HN)(C[6a]C[6a]2)(C[6]C[6]N){1|H<1>,2|C<4>,4|C<3>}	119.2023	0.285	4	119.2023	0.081	4	119.3619	0.668	138	119.3037	1.129	684	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Si[6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]Si[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](Si[6]N[6]HO)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Si[6]C[6])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Si<4>,1|C<4>,1|H<1>,2|C<3>}	N[6](Si[6]N[6]HO)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	119.3332	0.714	6	119.2696	0.312	12	119.3619	0.668	138	119.3037	1.129	684	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Si[6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]Si[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](Si[6]N[6]HO)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Si[6]C[6])(C[6a]C[6a]C)2{1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Si<4>,1|C<4>,1|H<1>,2|C<3>}	N[6](Si[6]N[6]HO)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	119.2060	0.410	6	119.2696	0.312	12	119.3619	0.668	138	119.3037	1.129	684	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Si[6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]Si[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](Si[6]N[6]NN)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Si[6]C[6])(C[6a]C[6a]C)2{1|C<4>,2|C<3>,2|H<1>,3|N<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Si<4>,1|C<4>,1|H<1>,2|C<3>}	N[6](Si[6]N[6]NN)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	119.8505	0.998	2	119.8423	0.433	4	119.3619	0.668	138	119.3037	1.129	684	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Si[6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]Si[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](Si[6]N[6]NN)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Si[6]C[6])(C[6a]C[6a]C)2{2|H<1>,3|C<3>,3|N<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Si<4>,1|C<4>,1|H<1>,2|C<3>}	N[6](Si[6]N[6]NN)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	119.8340	0.552	2	119.8423	0.433	4	119.3619	0.668	138	119.3037	1.129	684	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Si[6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]Si[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](Si[6]N[6]NiN)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Si[6]C[6])(C[6a]C[6a]C)2{1|Ni<4>,1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Si<4>,1|C<4>,1|H<1>,2|C<3>}	N[6](Si[6]N[6]NiN)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	119.3268	0.955	6	119.3268	0.912	6	119.3619	0.668	138	119.3037	1.129	684	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Si[6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]Si[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](Si[6]N[6]NiO)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Si[6]C[6])(C[6a]C[6a]C)2{1|Ni<4>,1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Si<4>,1|C<4>,1|H<1>,2|C<3>}	N[6](Si[6]N[6]NiO)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	119.2440	1.199	4	119.2440	1.437	4	119.3619	0.668	138	119.3037	1.129	684	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Si[6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]Si[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](Si[6]N[6]NiS)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Si[6]C[6])(C[6a]C[6a]C)2{1|Ni<4>,1|C<4>,1|N<3>,1|S<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Si<4>,1|C<4>,1|H<1>,2|C<3>}	N[6](Si[6]N[6]NiS)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	119.2730	1.247	4	119.2730	1.556	4	119.3619	0.668	138	119.3037	1.129	684	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Si[6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]Si[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](Si[6]N[6]PP)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Si[6]C[6])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>,2|P<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Si<4>,1|C<4>,1|H<1>,2|C<3>}	N[6](Si[6]N[6]PP)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	119.3930	1.591	2	119.6953	1.159	4	119.3619	0.668	138	119.3037	1.129	684	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Si[6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]Si[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](Si[6]N[6]PP)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Si[6]C[6])(C[6a]C[6a]C)2{1|N<3>,2|H<1>,2|P<3>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Si<4>,1|C<4>,1|H<1>,2|C<3>}	N[6](Si[6]N[6]PP)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	119.9975	0.762	2	119.6953	1.159	4	119.3619	0.668	138	119.3037	1.129	684	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Si[6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]Si[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](Si[6]N[6]SeO)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Si[6]C[6])(C[6a]C[6a]C)2{1|Se<1>,1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Si<4>,1|C<4>,1|H<1>,2|C<3>}	N[6](Si[6]N[6]SeO)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	118.9982	0.810	4	118.9750	1.055	8	119.3619	0.668	138	119.3037	1.129	684	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Si[6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]Si[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](Si[6]N[6]SeO)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Si[6]C[6])(C[6a]C[6a]C)2{1|Se<2>,1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Si<4>,1|C<4>,1|H<1>,2|C<3>}	N[6](Si[6]N[6]SeO)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	118.9518	1.343	4	118.9750	1.055	8	119.3619	0.668	138	119.3037	1.129	684	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Si[6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]Si[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](Si[6]N[6]SiO)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Si[6]C[6])(C[6a]C[6a]C)2{1|Si<4>,1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Si<4>,1|C<4>,1|H<1>,2|C<3>}	N[6](Si[6]N[6]SiO)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	119.4030	1.700	2	119.4815	0.972	4	119.3619	0.668	138	119.3037	1.129	684	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Si[6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]Si[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](Si[6]N[6]SiO)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Si[6]C[6])(C[6a]C[6a]C)2{1|Si<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Si<4>,1|C<4>,1|H<1>,2|C<3>}	N[6](Si[6]N[6]SiO)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	119.5600	0.055	2	119.4815	0.972	4	119.3619	0.668	138	119.3037	1.129	684	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Si[6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]Si[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3)	N[6](Si[6]C[6]Br2)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Si[6]C[6])(C[6a]C[6a]C)2{2|Br<1>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3){1|Si<4>,1|C<4>,1|H<1>,2|C<3>}	N[6](Si[6]C[6]Br2)(C[6a]C[6a]2)(C[6]C[6]C){2|C<4>,2|H<1>,3|C<3>}	119.1525	1.545	4	119.1525	2.388	4	119.3619	0.668	138	119.3037	1.129	684	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Si[6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]Si[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3)	N[6](Si[6]N[6]Br2)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Si[6]C[6])(C[6a]C[6a]C)2{2|Br<1>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3){1|Si<4>,1|C<4>,1|H<1>,2|C<3>}	N[6](Si[6]N[6]Br2)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	119.0435	0.828	2	119.2570	0.313	4	119.3619	0.668	138	119.3037	1.129	684	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Si[6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]Si[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3)	N[6](Si[6]N[6]Br2)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Si[6]C[6])(C[6a]C[6a]C)2{2|Br<1>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3){1|Si<4>,1|C<4>,1|H<1>,2|C<3>}	N[6](Si[6]N[6]Br2)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	119.4705	0.267	2	119.2570	0.313	4	119.3619	0.668	138	119.3037	1.129	684	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Si[6]-4:C[6a]-3:In[6]-3:	C[6a](N[6]In[6]Si[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](Si[6]O[6]CC)(C[6a]C[6a]2)(In[6]N[6]N)	C[6a](N[6]In[6]Si[6])(C[6a]C[6a]C)2{1|C<3>,1|N<2>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|In<3>,1|Si<4>,1|C<3>,1|C<4>,1|H<1>}	N[6](Si[6]O[6]CC)(C[6a]C[6a]2)(In[6]N[6]N){1|Si<4>,2|C<4>,3|C<3>}	120.4035	0.657	4	120.4035	0.432	4	120.5281	0.315	8	119.3037	1.129	684	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Si[6]-4:C[6a]-3:In[6]-3:	C[6a](N[6]In[6]Si[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](Si[6]O[6]CC)(C[6a]C[6a]2)(In[6]N[6]Zn)	C[6a](N[6]In[6]Si[6])(C[6a]C[6a]C)2{1|Zn<3>,1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|In<3>,1|Si<4>,1|C<3>,1|C<4>,1|H<1>}	N[6](Si[6]O[6]CC)(C[6a]C[6a]2)(In[6]N[6]Zn){1|Si<4>,2|C<4>,3|C<3>}	120.6527	0.510	4	120.6527	0.260	4	120.5281	0.315	8	119.3037	1.129	684	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CC[6a]HH)	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2){2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CC[6a]HH){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,1|N<4>,4|C<3>,5|H<1>}	118.0310	0.000	1	118.0310	0.000	1	118.0310	0.000	1	119.4403	1.728	8	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:4:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6,6]-4:C[6a]-3:C[6]-4:	C[6a](N[6]C[6,6]C[6])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CC[6a]HH)	N[6](C[6,6]C[6,6]O[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6a](N[6]C[6,6]C[6])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CC[6a]HH){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6,6]C[6,6]O[6]H)(C[6a]C[6a]2)(C[6]C[6]HH){3|C<3>,3|C<4>,4|H<1>}	117.9860	0.000	1	117.9860	0.000	1	117.9860	0.000	1	119.4403	1.728	8	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:4:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	P[6]-4:C[6a]-3:B[6]-4:	C[6a](N[6]B[6]P[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3)	N[6](P[6]C[6a]2C[6])(C[6a]C[6a]2)(B[6]N[6]HH)	C[6a](N[6]B[6]P[6])(C[6a]C[6a]C)2{1|N<3>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3){1|B<4>,1|C<3>,1|P<4>,2|C<4>}	N[6](P[6]C[6a]2C[6])(C[6a]C[6a]2)(B[6]N[6]HH){1|Cl<1>,1|P<4>,2|C<4>,7|C<3>}	120.0067	1.462	4	120.0067	2.136	4	120.0067	2.136	4	119.4403	1.728	8	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:4:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Si[6]-4:C[6a]-3:C[6]-4:	C[6a](N[6]Si[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](Si[6]N[6]ClH)(C[6a]C[6a]2)(C[6]C[6]2H)	C[6a](N[6]Si[6]C[6])(C[6a]C[6a]C)2{1|Cl<1>,1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Si<4>,1|C<3>,1|H<1>,2|C<4>}	N[6](Si[6]N[6]ClH)(C[6a]C[6a]2)(C[6]C[6]2H){1|N<3>,2|C<4>,2|H<1>,5|C<3>}	119.7390	0.356	2	119.7390	0.127	2	119.7390	0.127	2	119.4403	1.728	8	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:4:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	P[6]-4:Ga[6]-4:C[6a]-3:	C[6a](N[6]Ga[6]P[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](P[6]C[6a]2C[6])(Ga[6]N[6]II)(C[6a]C[6a]2)	C[6a](N[6]Ga[6]P[6])(C[6a]C[6a]C)2{1|N<3>,2|H<1>,2|I<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Ga<4>,1|C<3>,1|C<4>,1|H<1>,1|P<4>}	N[6](P[6]C[6a]2C[6])(Ga[6]N[6]II)(C[6a]C[6a]2){1|H<1>,1|P<4>,2|C<4>,7|C<3>}	120.0927	0.739	4	120.0927	0.546	4	120.0927	0.546	4	120.0927	0.546	4	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	5:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Ga[3,3,6]-5:C[6a]-3:C[6]-3:	C[6a](N[6]Ga[3,3,6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](Ga[3,3,6]Ga[3,3,6]N[6]O[3]2)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Ga[3,3,6]C[6])(C[6a]C[6a]C)2{1|Ga<5>,1|C<4>,1|N<3>,2|C<3>,2|H<1>,2|O<2>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Ga<5>,1|C<4>,1|H<1>,2|C<3>}	N[6](Ga[3,3,6]Ga[3,3,6]N[6]O[3]2)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,2|N<3>,4|C<3>}	118.9865	1.565	4	118.9865	2.448	4	118.9865	2.448	4	119.4000	1.346	107	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	5:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	In[4,6]-5:C[6a]-3:C[6]-3:	C[6a](N[6]In[4,6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](In[4,6]N[6]O[4]2Cl)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](N[6]In[4,6]C[6])(C[6a]C[6a]C)2{1|Cl<1>,1|N<3>,2|C<3>,2|O<3>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|In<5>,1|C<4>,1|H<1>,2|C<3>}	N[6](In[4,6]N[6]O[4]2Cl)(C[6a]C[6a]2)(C[6]C[6]H){1|In<5>,2|C<4>,2|H<1>,5|C<3>}	118.7417	0.662	4	118.7417	0.438	4	118.7417	0.438	4	119.4000	1.346	107	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	5:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Nb[3,6]-5:C[6a]-3:C[6]-3:	C[6a](N[6]Nb[3,6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](Nb[3,6]C[3]N[3]N[6]N)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Nb[3,6]C[6])(C[6a]C[6a]C)2{1|N<2>,2|C<3>,2|C<4>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Nb<5>,1|C<4>,1|H<1>,2|C<3>}	N[6](Nb[3,6]C[3]N[3]N[6]N)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,4|C<4>,5|C<3>}	119.6252	1.495	4	119.6252	2.235	4	119.6252	2.235	4	119.4000	1.346	107	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	5:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Nb[4,6]-5:C[6a]-3:C[6]-3:	C[6a](N[6]Nb[4,6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](Nb[4,6]N[4,6]C[4]NN)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Nb[4,6]C[6])(C[6a]C[6a]C)2{1|N<2>,2|C<3>,2|C<4>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Nb<5>,1|C<4>,1|H<1>,2|C<3>}	N[6](Nb[4,6]N[4,6]C[4]NN)(C[6a]C[6a]2)(C[6]C[6]C){3|C<3>,3|C<4>,3|H<1>}	119.3560	2.275	2	119.3637	2.206	4	119.3637	2.206	4	119.4000	1.346	107	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	5:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Nb[4,6]-5:C[6a]-3:C[6]-3:	C[6a](N[6]Nb[4,6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](Nb[4,6]N[4,6]C[4]NN)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Nb[4,6]C[6])(C[6a]C[6a]C)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Nb<5>,1|C<4>,1|H<1>,2|C<3>}	N[6](Nb[4,6]N[4,6]C[4]NN)(C[6a]C[6a]2)(C[6]C[6]C){3|C<3>,3|C<4>,3|H<1>}	119.3715	1.200	2	119.3637	2.206	4	119.3637	2.206	4	119.4000	1.346	107	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	5:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Nb[6,6]-5:C[6a]-3:C[6]-3:	C[6a](N[6]Nb[6,6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](Nb[6,6]N[6,6]C[6]NO)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Nb[6,6]C[6])(C[6a]C[6a]C)2{1|N<2>,1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Nb<5>,1|C<4>,1|H<1>,2|C<3>}	N[6](Nb[6,6]N[6,6]C[6]NO)(C[6a]C[6a]2)(C[6]C[6]C){3|C<4>,3|H<1>,4|C<3>}	119.2262	0.795	4	119.2262	0.632	4	119.2262	0.632	4	119.4000	1.346	107	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	5:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Nb[6]-5:C[6a]-3:C[6]-3:	C[6a](N[6]Nb[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](Nb[6]C[6a]N[6]FN)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Nb[6]C[6])(C[6a]C[6a]C)2{1|C<4>,1|F<1>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Nb<5>,1|C<4>,1|H<1>,2|C<3>}	N[6](Nb[6]C[6a]N[6]FN)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,6|C<3>}	119.4641	0.983	12	119.4641	0.966	12	119.4716	1.338	71	119.4000	1.346	107	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	5:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Nb[6]-5:C[6a]-3:C[6]-3:	C[6a](N[6]Nb[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](Nb[6]C[6a]N[6]NN)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Nb[6]C[6])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,2|H<1>,2|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Nb<5>,1|C<4>,1|H<1>,2|C<3>}	N[6](Nb[6]C[6a]N[6]NN)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,6|C<3>}	119.2683	1.198	7	119.2683	1.434	7	119.4716	1.338	71	119.4000	1.346	107	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	5:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Nb[6]-5:C[6a]-3:C[6]-3:	C[6a](N[6]Nb[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](Nb[6]N[6]2NO)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Nb[6]C[6])(C[6a]C[6a]C)2{1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Nb<5>,1|C<4>,1|H<1>,2|C<3>}	N[6](Nb[6]N[6]2NO)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,6|C<3>}	119.5538	1.460	4	119.5538	2.132	4	119.4716	1.338	71	119.4000	1.346	107	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	5:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Nb[6]-5:C[6a]-3:C[6]-3:	C[6a](N[6]Nb[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](Nb[6]N[6]CCN)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Nb[6]C[6])(C[6a]C[6a]C)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Nb<5>,1|C<4>,1|H<1>,2|C<3>}	N[6](Nb[6]N[6]CCN)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	119.5290	2.170	4	119.5290	4.708	4	119.4716	1.338	71	119.4000	1.346	107	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	5:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Nb[6]-5:C[6a]-3:C[6]-3:	C[6a](N[6]Nb[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](Nb[6]N[6]CNN)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Nb[6]C[6])(C[6a]C[6a]C)2{1|C<2>,1|C<4>,1|N<2>,2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Nb<5>,1|C<4>,1|H<1>,2|C<3>}	N[6](Nb[6]N[6]CNN)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	119.6935	1.469	4	119.6277	1.295	12	119.4716	1.338	71	119.4000	1.346	107	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	5:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Nb[6]-5:C[6a]-3:C[6]-3:	C[6a](N[6]Nb[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](Nb[6]N[6]CNN)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Nb[6]C[6])(C[6a]C[6a]C)2{1|C<2>,1|C<4>,1|N<3>,2|C<3>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Nb<5>,1|C<4>,1|H<1>,2|C<3>}	N[6](Nb[6]N[6]CNN)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	119.5948	1.052	8	119.6277	1.295	12	119.4716	1.338	71	119.4000	1.346	107	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	5:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Nb[6]-5:C[6a]-3:C[6]-3:	C[6a](N[6]Nb[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](Nb[6]N[6]Cl2N)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Nb[6]C[6])(C[6a]C[6a]C)2{2|Cl<1>,1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Nb<5>,1|C<4>,1|H<1>,2|C<3>}	N[6](Nb[6]N[6]Cl2N)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	119.2655	0.481	4	119.2655	0.232	4	119.4716	1.338	71	119.4000	1.346	107	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	5:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Nb[6]-5:C[6a]-3:C[6]-3:	C[6a](N[6]Nb[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](Nb[6]N[6]HNN)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Nb[6]C[6])(C[6a]C[6a]C)2{1|C<4>,1|N<2>,2|C<3>,2|N<3>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Nb<5>,1|C<4>,1|H<1>,2|C<3>}	N[6](Nb[6]N[6]HNN)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	119.7490	1.345	4	119.7490	1.809	4	119.4716	1.338	71	119.4000	1.346	107	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	5:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Nb[6]-5:C[6a]-3:C[6]-3:	C[6a](N[6]Nb[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](Nb[6]N[6]NNO)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Nb[6]C[6])(C[6a]C[6a]C)2{1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Nb<5>,1|C<4>,1|H<1>,2|C<3>}	N[6](Nb[6]N[6]NNO)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	119.4258	1.247	12	119.4258	1.555	12	119.4716	1.338	71	119.4000	1.346	107	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	5:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Nb[6]-5:C[6a]-3:C[6]-3:	C[6a](N[6]Nb[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](Nb[6]N[6]NOO)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Nb[6]C[6])(C[6a]C[6a]C)2{1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>,2|O<2>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Nb<5>,1|C<4>,1|H<1>,2|C<3>}	N[6](Nb[6]N[6]NOO)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	119.0583	1.075	4	119.0583	1.156	4	119.4716	1.338	71	119.4000	1.346	107	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	5:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Nb[6]-5:C[6a]-3:C[6]-3:	C[6a](N[6]Nb[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](Nb[6]N[6]O[5]2N)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Nb[6]C[6])(C[6a]C[6a]C)2{1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>,2|O<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Nb<5>,1|C<4>,1|H<1>,2|C<3>}	N[6](Nb[6]N[6]O[5]2N)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,4|C<3>,6|C<4>}	119.6000	1.030	4	119.6000	1.060	4	119.4716	1.338	71	119.4000	1.346	107	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	5:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Nb[6]-5:C[6a]-3:C[6]-3:	C[6a](N[6]Nb[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3)	N[6](Nb[6]N[6]CCN)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Nb[6]C[6])(C[6a]C[6a]C)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3){1|Nb<5>,2|C<3>,2|C<4>}	N[6](Nb[6]N[6]CCN)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	119.5930	1.616	4	119.5930	2.613	4	119.4716	1.338	71	119.4000	1.346	107	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	5:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Si[3,6]-5:C[6a]-3:C[6]-3:	C[6a](N[6]Si[3,6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](Si[3,6]C[5]N[6]O[3]2)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Si[3,6]C[6])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,2|H<1>,2|O<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Si<5>,1|C<4>,1|H<1>,2|C<3>}	N[6](Si[3,6]C[5]N[6]O[3]2)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,2|N<3>,4|C<3>}	119.8155	1.456	2	119.9465	1.328	4	119.9465	1.328	4	119.4000	1.346	107	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	5:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Si[3,6]-5:C[6a]-3:C[6]-3:	C[6a](N[6]Si[3,6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](Si[3,6]C[5]N[6]O[3]2)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Si[3,6]C[6])(C[6a]C[6a]C)2{1|N<3>,2|H<1>,2|O<2>,4|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Si<5>,1|C<4>,1|H<1>,2|C<3>}	N[6](Si[3,6]C[5]N[6]O[3]2)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,2|N<3>,4|C<3>}	120.0775	1.340	2	119.9465	1.328	4	119.9465	1.328	4	119.4000	1.346	107	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	5:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Si[4,6]-5:C[6a]-3:C[6]-3:	C[6a](N[6]Si[4,6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](Si[4,6]N[4,6]2FF)(C[6a]C[6a]2)(C[6]N[6]N)	C[6a](N[6]Si[4,6]C[6])(C[6a]C[6a]C)2{1|C<3>,1|N<2>,2|F<1>,2|H<1>,3|N<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Si<5>,1|C<4>,1|H<1>,2|C<3>}	N[6](Si[4,6]N[4,6]2FF)(C[6a]C[6a]2)(C[6]N[6]N){1|Si<5>,2|C<4>,4|C<3>}	119.5285	0.788	2	119.5285	0.622	2	119.5285	0.622	2	119.4000	1.346	107	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	5:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Si[5,6]-5:C[6a]-3:C[6]-3:	C[6a](N[6]Si[5,6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](Si[5,6]N[5]N[6]O[5]H)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Si[5,6]C[6])(C[6a]C[6a]C)2{1|C<4>,1|O<2>,2|C<3>,2|N<3>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Si<5>,1|C<4>,1|H<1>,2|C<3>}	N[6](Si[5,6]N[5]N[6]O[5]H)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,1|N<2>,2|C<4>,6|C<3>}	119.1202	1.420	4	119.1202	2.017	4	119.1202	2.017	4	119.4000	1.346	107	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	5:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Si[6]-5:C[6a]-3:C[6]-3:	C[6a](N[6]Si[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](Si[6]N[6]BrLiN)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Si[6]C[6])(C[6a]C[6a]C)2{1|Br<2>,1|Li<5>,1|C<4>,1|N<3>,1|N<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Si<5>,1|C<4>,1|H<1>,2|C<3>}	N[6](Si[6]N[6]BrLiN)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	119.5520	2.128	2	119.5520	4.530	2	119.0358	1.811	6	119.4000	1.346	107	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	5:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Si[6]-5:C[6a]-3:C[6]-3:	C[6a](N[6]Si[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](Si[6]N[6]Cl2H)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](N[6]Si[6]C[6])(C[6a]C[6a]C)2{2|Cl<1>,1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Si<5>,1|C<4>,1|H<1>,2|C<3>}	N[6](Si[6]N[6]Cl2H)(C[6a]C[6a]2)(C[6]C[6]H){1|H<1>,2|C<4>,4|C<3>}	118.7777	1.115	4	118.7777	1.242	4	119.0358	1.811	6	119.4000	1.346	107	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	6:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Nb[3,3,6]-6:C[6a]-3:C[6]-3:	C[6a](N[6]Nb[3,3,6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](Nb[3,3,6]C[3,3]N[3]N[6]O[3]N)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Nb[3,3,6]C[6])(C[6a]C[6a]C)2{1|N<2>,1|O<2>,2|C<3>,2|C<4>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Nb<6>,1|C<4>,1|H<1>,2|C<3>}	N[6](Nb[3,3,6]C[3,3]N[3]N[6]O[3]N)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,1|O<1>,3|C<4>,4|C<3>}	119.0335	1.239	4	119.1745	1.119	20	119.2054	0.926	28	119.4813	1.400	60	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	6:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Nb[3,3,6]-6:C[6a]-3:C[6]-3:	C[6a](N[6]Nb[3,3,6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](Nb[3,3,6]C[3,3]N[3]N[6]O[3]N)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Nb[3,3,6]C[6])(C[6a]C[6a]C)2{1|N<2>,1|O<2>,2|C<3>,2|C<4>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Nb<6>,1|C<4>,1|H<1>,2|C<3>}	N[6](Nb[3,3,6]C[3,3]N[3]N[6]O[3]N)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,1|O<2>,3|C<4>,4|C<3>}	118.9200	1.127	8	119.1745	1.119	20	119.2054	0.926	28	119.4813	1.400	60	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	6:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Nb[3,3,6]-6:C[6a]-3:C[6]-3:	C[6a](N[6]Nb[3,3,6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](Nb[3,3,6]C[3,3]N[3]N[6]O[3]N)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Nb[3,3,6]C[6])(C[6a]C[6a]C)2{1|N<2>,1|O<2>,2|C<3>,2|C<4>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Nb<6>,1|C<4>,1|H<1>,2|C<3>}	N[6](Nb[3,3,6]C[3,3]N[3]N[6]O[3]N)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,3|C<4>,5|C<3>}	119.4996	0.951	8	119.1745	1.119	20	119.2054	0.926	28	119.4813	1.400	60	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	6:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Nb[3,3,6]-6:C[6a]-3:C[6]-3:	C[6a](N[6]Nb[3,3,6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](Nb[3,3,6]Nb[3,3,6]N[6]S[3]2N)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Nb[3,3,6]C[6])(C[6a]C[6a]C)2{1|Nb<6>,1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>,2|S<2>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Nb<6>,1|C<4>,1|H<1>,2|C<3>}	N[6](Nb[3,3,6]Nb[3,3,6]N[6]S[3]2N)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,1|N<2>,2|C<4>,2|N<3>,4|C<3>}	119.4730	0.956	4	119.4730	0.915	4	119.2054	0.926	28	119.4813	1.400	60	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	6:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Nb[3,3,6]-6:C[6a]-3:C[6]-3:	C[6a](N[6]Nb[3,3,6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](Nb[3,3,6]Nb[3,3]N[6]O[3]2N)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Nb[3,3,6]C[6])(C[6a]C[6a]C)2{1|Nb<6>,1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>,2|O<2>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Nb<6>,1|C<4>,1|H<1>,2|C<3>}	N[6](Nb[3,3,6]Nb[3,3]N[6]O[3]2N)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,1|N<2>,2|C<4>,2|N<3>,4|C<3>}	119.0920	0.460	4	119.0920	0.211	4	119.2054	0.926	28	119.4813	1.400	60	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	6:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Nb[3,6]-6:C[6a]-3:C[6]-3:	C[6a](N[6]Nb[3,6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](Nb[3,6]B[3,5]N[3]N[6]HN)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Nb[3,6]C[6])(C[6a]C[6a]C)2{1|B<4>,1|C<4>,1|N<2>,2|C<3>,2|N<3>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Nb<6>,1|C<4>,1|H<1>,2|C<3>}	N[6](Nb[3,6]B[3,5]N[3]N[6]HN)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|O<2>,3|C<4>,4|C<3>}	119.7715	1.329	4	119.7715	1.767	4	119.7007	1.860	20	119.4813	1.400	60	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	6:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Nb[3,6]-6:C[6a]-3:C[6]-3:	C[6a](N[6]Nb[3,6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](Nb[3,6]C[3]2N[6]CN)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Nb[3,6]C[6])(C[6a]C[6a]C)2{1|C<2>,1|C<4>,1|N<2>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Nb<6>,1|C<4>,1|H<1>,2|C<3>}	N[6](Nb[3,6]C[3]2N[6]CN)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,6|C<3>}	119.1575	1.328	4	119.4201	2.052	8	119.7007	1.860	20	119.4813	1.400	60	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	6:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Nb[3,6]-6:C[6a]-3:C[6]-3:	C[6a](N[6]Nb[3,6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](Nb[3,6]C[3]2N[6]CN)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Nb[3,6]C[6])(C[6a]C[6a]C)2{1|C<2>,1|C<4>,1|N<2>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Nb<6>,1|C<4>,1|H<1>,2|C<3>}	N[6](Nb[3,6]C[3]2N[6]CN)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,3|C<4>,5|C<3>}	119.6827	1.685	4	119.4201	2.052	8	119.7007	1.860	20	119.4813	1.400	60	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	6:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Nb[3,6]-6:C[6a]-3:C[6]-3:	C[6a](N[6]Nb[3,6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](Nb[3,6]C[3]N[3]N[6]CN)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Nb[3,6]C[6])(C[6a]C[6a]C)2{1|C<2>,1|C<4>,1|N<2>,2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Nb<6>,1|C<4>,1|H<1>,2|C<3>}	N[6](Nb[3,6]C[3]N[3]N[6]CN)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,4|C<3>,4|C<4>}	119.9460	1.442	8	119.9460	2.078	8	119.7007	1.860	20	119.4813	1.400	60	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	6:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Nb[6]-6:C[6a]-3:C[6]-3:	C[6a](N[6]Nb[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](Nb[6]N[6]2CCN)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Nb[6]C[6])(C[6a]C[6a]C)2{1|C<4>,1|N<2>,2|C<2>,2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Nb<6>,1|C<4>,1|H<1>,2|C<3>}	N[6](Nb[6]N[6]2CCN)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,6|C<3>}	119.5695	1.662	4	119.5695	2.762	4	119.7591	1.657	12	119.4813	1.400	60	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	6:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Nb[6]-6:C[6a]-3:C[6]-3:	C[6a](N[6]Nb[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](Nb[6]N[6]C3N)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Nb[6]C[6])(C[6a]C[6a]C)2{1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>,3|C<2>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Nb<6>,1|C<4>,1|H<1>,2|C<3>}	N[6](Nb[6]N[6]C3N)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	120.0362	0.330	4	120.0362	0.109	4	119.7591	1.657	12	119.4813	1.400	60	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	6:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Nb[6]-6:C[6a]-3:C[6]-3:	C[6a](N[6]Nb[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](Nb[6]N[6]LiCCN)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Nb[6]C[6])(C[6a]C[6a]C)2{1|Li<5>,1|C<2>,2|C<3>,2|C<4>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Nb<6>,1|C<4>,1|H<1>,2|C<3>}	N[6](Nb[6]N[6]LiCCN)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	119.6715	1.744	4	119.6715	3.042	4	119.7591	1.657	12	119.4813	1.400	60	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	7:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Nb[3,3,6,6]-7:C[6a]-3:C[6]-3:	C[6a](N[6]Nb[3,3,6,6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](Nb[3,3,6,6]C[3,3,6]N[6]O[3]2O[6]N)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Nb[3,3,6,6]C[6])(C[6a]C[6a]C)2{1|N<2>,1|N<3>,2|C<3>,2|C<4>,2|H<1>,3|O<2>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Nb<7>,1|C<4>,1|H<1>,2|C<3>}	N[6](Nb[3,3,6,6]C[3,3,6]N[6]O[3]2O[6]N)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,1|O<2>,3|C<4>,4|C<3>}	119.2719	0.503	8	119.2719	0.253	8	119.2719	0.253	8	119.3466	1.141	20	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	7:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Nb[3,6]-7:C[6a]-3:C[6]-3:	C[6a](N[6]Nb[3,6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](Nb[3,6]C[3]N[3]N[6]F3)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Nb[3,6]C[6])(C[6a]C[6a]C)2{1|C<4>,2|H<1>,2|N<3>,3|C<3>,3|F<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Nb<7>,1|C<4>,1|H<1>,2|C<3>}	N[6](Nb[3,6]C[3]N[3]N[6]F3)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,3|C<4>,5|C<3>}	119.1876	1.401	8	119.1876	1.963	8	119.1876	1.963	8	119.3466	1.141	20	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	7:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Nb[3x3,5,6]-7:C[6a]-3:C[6]-3:	C[6a](N[6]Nb[3x3,5,6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](Nb[3x3,5,6]C[3,3,6]2C[3,5,6]2N[6]N)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Nb[3x3,5,6]C[6])(C[6a]C[6a]C)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>,5|C<4>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Nb<7>,1|C<4>,1|H<1>,2|C<3>}	N[6](Nb[3x3,5,6]C[3,3,6]2C[3,5,6]2N[6]N)(C[6a]C[6a]2)(C[6]C[6]C){4|C<3>,4|C<4>,5|H<1>}	119.8143	1.298	4	119.8143	1.684	4	119.8143	1.684	4	119.3466	1.141	20	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	8:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Nb[5x3,6]-8:C[6a]-3:C[6]-3:	C[6a](N[6]Nb[5x3,6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](Nb[5x3,6]C[3,3,5]5N[6]N)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Nb[5x3,6]C[6])(C[6a]C[6a]C)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>,6|C<4>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Nb<8>,1|C<4>,1|H<1>,2|C<3>}	N[6](Nb[5x3,6]C[3,3,5]5N[6]N)(C[6a]C[6a]2)(C[6]C[6]C){2|C<4>,4|C<3>,6|H<1>}	119.8130	1.041	8	119.8130	1.084	8	119.8130	1.084	8	119.8130	1.084	8	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	9:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Nb[5x3,6]-9:C[6a]-3:C[6]-3:	C[6a](N[6]Nb[5x3,6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](Nb[5x3,6]C[3,3,5]5N[6]HN)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Nb[5x3,6]C[6])(C[6a]C[6a]C)2{1|N<2>,1|N<3>,2|C<3>,3|H<1>,6|C<4>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Nb<9>,1|C<4>,1|H<1>,2|C<3>}	N[6](Nb[5x3,6]C[3,3,5]5N[6]HN)(C[6a]C[6a]2)(C[6]C[6]C){2|C<4>,4|C<3>,6|H<1>}	119.7614	1.309	8	119.7614	1.714	8	119.7614	1.714	8	119.7614	1.714	8	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP2	C[6a]	C[6a]	N[6]	3:3:3:	4:3:3:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	B[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]B[6])(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](B[6]N[6,6]H[6]H)(C[6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]B[6])(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,1|H<2>,1|N<4>,2|C<4>,7|H<1>}	C[6a](B[6]N[6,6]H[6]H)(C[6a]C[6a]N[6])(C[6a]C[6a]H){2|C<3>,2|H<1>,4|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|B<4>,1|C<4>,2|C<3>,5|H<1>}	119.0385	0.132	2	119.0385	0.017	2	119.0385	0.017	2	119.0385	0.017	2	119.8980	2.381	4725	120.3534	2.767	8481
643	643	856	0:SP2_SP2_SP3	C[6,6,6a]	C[6a]	N[3x6]	3:3:3:	3:3:1:	3:3:3:	C[6,6,6a]-3:N[3x6]-3:C[6a]-3:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(N[3x6]C[6,6,6a]2)(C[6a]C[6a]H)	C[6a](C[6,6,6a]C[6,6,6a]N[3x6])(C[6a]C[6a]H)(H)	N[3x6](C[6,6,6a]C[6,6,6a]C[6a])3	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(N[3x6]C[6,6,6a]2)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]N[3x6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[3x6](C[6,6,6a]C[6,6,6a]C[6a])3{1|C<4>,3|H<1>,6|C<3>}	127.2110	0.000	1	127.2110	0.000	1	127.2110	0.000	1	127.2110	0.000	1	125.1605	8.409	2	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6,6a]	C[6a]	N[3x6]	3:3:3:	3:3:1:	3:4:4:	C[6,6,6a]-3:N[3x6]-3:C[6a]-3:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(N[3x6]C[6,6]2)(C[6a]C[6a]H)	C[6a](C[6,6,6a]C[6,6,6a]N[3x6])(C[6a]C[6a]H)(H)	N[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)2	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(N[3x6]C[6,6]2)(C[6a]C[6a]H){1|C<3>,2|C<4>,7|H<1>}	C[6a](C[6,6,6a]C[6,6,6a]N[3x6])(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,3|C<4>}	N[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)2{1|C<4>,2|C<3>,5|H<1>}	123.1100	0.000	1	123.1100	0.000	1	123.1100	0.000	1	123.1100	0.000	1	125.1605	8.409	2	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a,6a]	N[6,6]	3:3:3:	3:3:3:	3:4:4:	C[6a,6a]-3:C[6,6a]-3:N[6,6]-3:	C[6,6a]-3:C[6,6a,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])	C[6a,6a](C[6,6a]C[6,6a]N[6,6])(C[6,6a,6a]C[6,6a]2)(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	C[6,6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6]){1|N<3>,4|C<3>,8|H<1>}	C[6a,6a](C[6,6a]C[6,6a]N[6,6])(C[6,6a,6a]C[6,6a]2)(C[6a]C[6a]H){1|H<1>,3|C<4>,4|C<3>}	N[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,5|C<3>}	117.9140	0.405	4	117.9140	0.164	4	117.9140	0.164	4	117.9140	0.164	4	117.9140	0.164	4	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a,6a]	N[6]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[6](C[6,6a]C[6a,6a]C[6,6a])2(C[6a]C[6a]2)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a]){2|H<1>,8|C<3>}	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])2(C[6a]C[6a]2){1|N<3>,2|H<1>,8|C<3>}	121.4260	0.000	1	121.4260	0.000	1	121.4260	0.000	1	120.2847	0.514	13	119.1464	1.636	29	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a,6a]	N[6]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6a,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(N[6]C[6,6a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(N[6]C[6,6a]C[6a]){1|H<1>,9|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a]){1|N<3>,2|H<1>,8|C<3>}	119.5530	0.000	1	119.5530	0.000	1	120.1896	0.432	12	120.2847	0.514	13	119.1464	1.636	29	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a,6a]	N[6]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6a,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(N[6]C[6,6a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(N[6]C[6,6a]C[6a]){1|H<1>,9|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2){1|N<3>,3|H<1>,7|C<3>}	120.2310	0.690	10	120.2310	0.476	10	120.1896	0.432	12	120.2847	0.514	13	119.1464	1.636	29	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a,6a]	N[6]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6a,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(N[6]C[6,6a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6a,6a]C[6,6a])2(C[6a]C[6a]2)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(N[6]C[6,6a]C[6a]){1|H<1>,9|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])2(C[6a]C[6a]2){1|N<3>,2|H<1>,8|C<3>}	120.4120	0.000	1	120.4120	0.000	1	120.1896	0.432	12	120.2847	0.514	13	119.1464	1.636	29	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a,6a]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	N[6](C[6,6a]C[6a,6a]C[6,6a])2(CH3)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]S[6])(N[6]C[6,6a]C){1|N<2>,2|H<1>,4|C<3>}	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|C<4>,1|S<2>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])2(CH3){1|S<2>,6|C<3>}	119.5470	0.127	2	119.5470	0.016	2	119.5470	0.016	2	119.5470	0.016	2	119.1464	1.636	29	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a,6a]	N[6]	3:3:3:	3:3:3:	3:4:3:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]C)	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(CC[6a]O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]C){1|C<4>,1|N<2>,3|C<3>,5|H<1>}	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(CC[6a]O){1|C<4>,2|H<1>,3|C<3>}	118.8310	0.000	1	118.8310	0.000	1	118.8310	0.000	1	118.8310	0.000	1	119.1464	1.636	29	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6,6,6a]-3:C[6a,6a]-3:N[6]-3:	C[3x6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a](C[6,6,6a]C[6,6a,6a]N[6,6])(C[6a,6a]C[3x6a]C[6a])(N[6]C[6]C)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6,6a]C[6,6,6a]N[6])(C[6a]C[6a]O)	N[6](C[6,6a]C[6,6,6a]C[6a,6a])(C[6]C[6]HH)(CH3)	C[6,6a](C[6,6,6a]C[6,6a,6a]N[6,6])(C[6a,6a]C[3x6a]C[6a])(N[6]C[6]C){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6,6a]C[6,6,6a]N[6])(C[6a]C[6a]O){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	N[6](C[6,6a]C[6,6,6a]C[6a,6a])(C[6]C[6]HH)(CH3){1|N<3>,2|H<1>,3|C<3>}	118.9300	0.000	1	118.9300	0.000	1	118.9300	0.000	1	117.9708	0.367	13	119.1464	1.636	29	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(C[6a]C[5,6a]H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]CH)(CH3)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[6]C[6]C){1|C<4>,3|H<1>,5|C<3>}	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(C[6a]C[5,6a]H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]CH)(CH3){5|C<3>}	117.6315	0.367	2	117.6315	0.135	2	117.7897	0.205	11	117.9708	0.367	13	119.1464	1.636	29	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(C[6a]C[5,6a]H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]HH)(CCHH)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[6]C[6]C){4|H<1>,5|C<3>}	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(C[6a]C[5,6a]H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]HH)(CCHH){5|C<3>}	118.4930	0.000	1	118.4930	0.000	1	117.7897	0.205	11	117.9708	0.367	13	119.1464	1.636	29	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(C[6a]C[5,6a]H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]HH)(CH3)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[6]C[6]C){4|H<1>,5|C<3>}	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(C[6a]C[5,6a]H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]HH)(CH3){5|C<3>}	117.8557	0.330	3	117.8557	0.109	3	117.7897	0.205	11	117.9708	0.367	13	119.1464	1.636	29	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(C[6a]C[5,6a]H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]HO)(CH3)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[6]C[6]C){1|O<2>,3|H<1>,5|C<3>}	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(C[6a]C[5,6a]H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]HO)(CH3){5|C<3>}	117.9820	0.730	2	117.9820	0.533	2	117.7897	0.205	11	117.9708	0.367	13	119.1464	1.636	29	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]HH)(CH3)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[6]C[6]C){4|H<1>,5|C<3>}	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]HH)(CH3){5|C<3>}	117.6590	0.025	2	117.6590	0.001	2	117.7897	0.205	11	117.9708	0.367	13	119.1464	1.636	29	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]C)	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6]H)(CC[6a]HH)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]C){2|C<4>,4|C<3>,4|H<1>}	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){2|C<3>,3|C<4>,3|H<1>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6]H)(CC[6a]HH){1|C<4>,2|H<1>,5|C<3>}	117.0820	0.000	1	117.0820	0.000	1	117.7897	0.205	11	117.9708	0.367	13	119.1464	1.636	29	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a]-3:S[6]-4:C-4:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]C[6a])(N[6]S[6]C)	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(S[6]C[5,6]OO)(CC[6a]HH)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]C[6a])(N[6]S[6]C){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>,3|O<1>}	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(S[6]C[5,6]OO)(CC[6a]HH){1|H<1>,2|C<4>,3|C<3>}	119.0030	0.000	1	119.0030	0.000	1	119.0030	0.000	1	117.9708	0.367	13	119.1464	1.636	29	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[3x6]	3:3:3:	3:3:1:	4:3:4:	N[3x6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[3x6]-4:C[6,6a]-3:C[6,6]-4:	C[6,6a](N[3x6]C[3x6]C[6,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[3x6])(C[6a]C[6a]H)(H)	N[3x6](C[3x6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)	C[6,6a](N[3x6]C[3x6]C[6,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){3|C<3>,3|N<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]N[3x6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	N[3x6](C[3x6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H){1|C<4>,2|H<1>,6|C<3>}	118.2890	0.238	2	118.2890	0.056	2	118.2890	0.056	2	118.2890	0.056	2	118.2890	0.056	2	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6,6]	3:3:3:	3:3:1:	3:3:3:	N[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	N[6,6]-3:C[6,6a]-3:C[6,6,6a]-3:	C[6,6a](N[6,6]C[6,6,6a]N[6,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H)	N[6,6](N[6,6]C[6,6,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6,6,6a]C[6,6a]2)	C[6,6a](N[6,6]C[6,6,6a]N[6,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|C<4>}	N[6,6](N[6,6]C[6,6,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6,6,6a]C[6,6a]2){1|C<4>,1|H<1>,8|C<3>}	123.0915	0.310	2	123.0915	0.096	2	123.0915	0.096	2	123.0915	0.096	2	119.8325	3.510	92	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6,6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C[6,6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6,6]C[6]2H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){4|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6,6]C[6]2H){1|N<3>,3|H<1>,6|C<3>}	122.6830	0.000	1	122.6830	0.000	1	122.6830	0.000	1	122.6830	0.000	1	119.8325	3.510	92	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6,6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6a]C[6])	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H){2|C<4>,3|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6a]C[6]){1|H<1>,1|I<1>,1|N<3>,7|C<3>}	121.8870	0.000	1	121.8870	0.000	1	121.6180	0.956	4	121.6180	0.956	4	119.8325	3.510	92	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6,6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]N[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]N[6]C){2|H<1>,5|C<3>}	121.8420	0.000	1	121.8420	0.000	1	121.6180	0.956	4	121.6180	0.956	4	119.8325	3.510	92	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6,6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6a]C[6])	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|O<2>,4|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6a]C[6]){1|Br<1>,1|C<4>,2|H<1>,5|C<3>}	122.5170	0.000	1	122.5170	0.000	1	121.6180	0.956	4	121.6180	0.956	4	119.8325	3.510	92	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6,6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6a](C[6,6a]C[6a]S[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6a]H)(C[6]C[6,6]O)	C[6,6a](C[6,6a]C[6a]S[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6a]H)(C[6]C[6,6]O){1|S<2>,2|H<1>,6|C<3>}	120.2260	0.000	1	120.2260	0.000	1	121.6180	0.956	4	121.6180	0.956	4	119.8325	3.510	92	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6,6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[3x6]-4:C[6]-4:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[6,6]C[3x6]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a,6a]N[6,6])(C[6a]C[6a]H)(H)	N[6,6](C[6,6a]C[6,6a,6a]C[6a])(C[3x6]N[6,6]2H)(C[6]C[6]HH)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[6,6]C[3x6]C[6])(C[6a]C[6a]H){1|C<4>,2|N<3>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a,6a]N[6,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6,6](C[6,6a]C[6,6a,6a]C[6a])(C[3x6]N[6,6]2H)(C[6]C[6]HH){3|C<3>,3|C<4>,3|H<1>}	122.9427	0.198	3	122.9427	0.039	3	122.9427	0.039	3	119.3322	1.982	69	119.8325	3.510	92	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6,6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[5,6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[5,6a]H)	C[6a](C[6,6a]C[6,6a]N[6,6])(C[5,6a]C[5,6a]C[5])(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[5,6a]H){1|C<4>,1|N<3>,2|C<3>,7|H<1>}	C[6a](C[6,6a]C[6,6a]N[6,6])(C[5,6a]C[5,6a]C[5])(H){2|H<1>,3|C<3>,3|C<4>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|H<1>,4|C<3>}	118.4780	0.272	2	118.4780	0.074	2	118.4780	0.074	2	119.3322	1.982	69	119.8325	3.510	92	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6,6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a,6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a,6a]H)	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a,6a]C[6a,6a]2)(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a,6a]H){1|N<3>,3|C<3>,7|H<1>}	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a,6a]C[6a,6a]2)(H){3|C<4>,4|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|H<1>,4|C<3>}	118.7460	0.035	2	118.7460	0.001	2	118.7460	0.001	2	119.3322	1.982	69	119.8325	3.510	92	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6,6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:Br-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]Br)	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(Br)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]Br){1|N<3>,2|C<3>,8|H<1>}	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(Br){1|Br<1>,1|C<3>,3|C<4>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|Br<1>,1|C<4>,4|C<3>}	120.8245	0.930	2	120.6690	0.505	3	120.6690	0.505	3	119.3322	1.982	69	119.8325	3.510	92	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6,6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:Br-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]Br)	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(Br)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]Br){1|N<3>,2|C<3>,8|H<1>}	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(Br){2|C<3>,3|C<4>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|Br<1>,1|C<4>,4|C<3>}	120.3580	0.000	1	120.6690	0.505	3	120.6690	0.505	3	119.3322	1.982	69	119.8325	3.510	92	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6,6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:F-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]F)	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]F)(F)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]F){1|N<3>,2|C<3>,2|F<1>,6|H<1>}	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]F)(F){1|C<3>,1|F<1>,3|C<4>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|F<1>,4|C<3>}	119.5200	0.000	1	119.5200	0.000	1	119.5200	0.000	1	119.3322	1.982	69	119.8325	3.510	92	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6,6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a](C[6,6a]C[6a,6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a,6a]H)(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]C[6a,6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|N<3>,3|C<3>,7|H<1>}	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a,6a]H)(H){2|C<3>,3|C<4>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|H<1>,4|C<3>}	119.5630	0.000	1	119.5630	0.000	1	119.1227	1.481	58	119.3322	1.982	69	119.8325	3.510	92	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6,6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]Br)(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|Br<1>,1|C<3>,3|C<4>,6|H<1>}	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,3|C<4>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH){1|C<2>,1|C<4>,1|O<2>,3|C<3>,5|H<1>}	120.8140	0.000	1	120.8140	0.000	1	119.1227	1.481	58	119.3322	1.982	69	119.8325	3.510	92	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6,6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]Br)(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|Br<1>,1|N<3>,2|C<3>,7|H<1>}	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]Br)(H){1|C<3>,4|C<4>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|H<1>,4|C<3>}	119.0100	0.000	1	119.0100	0.000	1	119.1227	1.481	58	119.3322	1.982	69	119.8325	3.510	92	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6,6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,7|H<1>}	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH){1|O<2>,3|C<4>,3|H<1>,4|C<3>}	121.6320	0.000	1	121.1335	0.497	2	119.1227	1.481	58	119.3322	1.982	69	119.8325	3.510	92	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6,6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,7|H<1>}	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH){2|C<4>,4|C<3>,5|H<1>}	120.6350	0.000	1	121.1335	0.497	2	119.1227	1.481	58	119.3322	1.982	69	119.8325	3.510	92	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6,6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(C[6]C[6]HH){1|N<3>,1|O<2>,3|C<3>,4|H<1>}	123.4745	0.323	2	123.4745	0.104	2	119.1227	1.481	58	119.3322	1.982	69	119.8325	3.510	92	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6,6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]HH){1|N<3>,3|H<1>,5|C<3>}	120.4140	0.000	1	120.7365	0.208	2	119.1227	1.481	58	119.3322	1.982	69	119.8325	3.510	92	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6,6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,7|H<1>}	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]HH){1|C<4>,3|H<1>,5|C<3>}	121.0590	0.000	1	120.7365	0.208	2	119.1227	1.481	58	119.3322	1.982	69	119.8325	3.510	92	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6,6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]CH)(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,7|H<1>}	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H){1|C<3>,4|C<4>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]CH)(C[6]C[6,6a]HH){1|C<4>,1|H<1>,4|C<3>}	118.3205	0.890	2	118.3205	0.793	2	119.1227	1.481	58	119.3322	1.982	69	119.8325	3.510	92	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6,6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]CH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,6|H<1>}	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H){1|C<3>,4|C<4>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]CH){1|C<4>,1|H<1>,4|C<3>}	118.8397	0.531	3	118.8397	0.282	3	119.1227	1.481	58	119.3322	1.982	69	119.8325	3.510	92	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6,6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,8|H<1>}	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,3|C<4>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|H<1>,4|C<3>}	118.5015	0.375	2	118.9215	0.358	36	119.1227	1.481	58	119.3322	1.982	69	119.8325	3.510	92	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6,6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,8|H<1>}	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|H<1>,4|C<3>}	118.5470	0.000	1	118.9215	0.358	36	119.1227	1.481	58	119.3322	1.982	69	119.8325	3.510	92	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6,6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,8|H<1>}	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H){1|C<3>,1|I<1>,3|C<4>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|H<1>,4|C<3>}	118.9112	0.913	8	118.9215	0.358	36	119.1227	1.481	58	119.3322	1.982	69	119.8325	3.510	92	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6,6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,8|H<1>}	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H){1|C<3>,4|C<4>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|H<1>,4|C<3>}	119.0971	0.495	13	118.9215	0.358	36	119.1227	1.481	58	119.3322	1.982	69	119.8325	3.510	92	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6,6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,8|H<1>}	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,3|C<4>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|H<1>,4|C<3>}	118.9025	0.456	4	118.9215	0.358	36	119.1227	1.481	58	119.3322	1.982	69	119.8325	3.510	92	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6,6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,8|H<1>}	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H){2|C<3>,3|C<4>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|H<1>,4|C<3>}	118.6173	0.468	6	118.9215	0.358	36	119.1227	1.481	58	119.3322	1.982	69	119.8325	3.510	92	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6,6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|N<4>,2|C<3>,8|H<1>}	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H){1|C<3>,4|C<4>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,2|H<1>,4|C<3>}	119.3790	0.064	2	118.9215	0.358	36	119.1227	1.481	58	119.3322	1.982	69	119.8325	3.510	92	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6,6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]O)(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,7|H<1>}	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,3|C<4>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HH){2|C<3>,2|C<4>,4|H<1>}	118.0020	0.000	1	118.0020	0.000	1	119.1227	1.481	58	119.3322	1.982	69	119.8325	3.510	92	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6,6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]O)(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6a]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,3|C<4>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6a]C[6]H){2|C<4>,4|C<3>,4|H<1>}	118.2573	0.494	3	118.2573	0.244	3	119.1227	1.481	58	119.3322	1.982	69	119.8325	3.510	92	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6,6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a](C[6,6a]C[6a]N[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]F)(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]N[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|F<1>,2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]F)(H){1|C<3>,1|F<1>,1|N<3>,2|C<4>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH){2|N<3>,4|C<3>,4|H<1>}	119.4870	0.000	1	119.4870	0.000	1	119.1227	1.481	58	119.3322	1.982	69	119.8325	3.510	92	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6,6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a](C[6,6a]C[6a]Si[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]Si[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|F<1>,2|C<3>,3|C<4>,5|H<1>}	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H){1|Si<4>,1|C<3>,3|C<4>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HH){1|Si<4>,1|C<4>,2|C<3>,4|H<1>}	117.3950	0.000	1	117.4820	0.162	3	119.1227	1.481	58	119.3322	1.982	69	119.8325	3.510	92	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6,6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a](C[6,6a]C[6a]Si[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]Si[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){2|C<3>,3|C<4>,6|H<1>}	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H){1|Si<4>,1|C<3>,3|C<4>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HH){1|Si<4>,1|C<4>,2|C<3>,4|H<1>}	117.1300	0.000	1	117.4820	0.162	3	119.1227	1.481	58	119.3322	1.982	69	119.8325	3.510	92	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6,6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a](C[6,6a]C[6a]Si[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]Si[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){2|C<3>,3|C<4>,6|H<1>}	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H){1|Si<4>,1|C<3>,3|C<4>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HH){1|Si<4>,2|C<3>,2|C<4>,3|H<1>}	117.9210	0.000	1	117.4820	0.162	3	119.1227	1.481	58	119.3322	1.982	69	119.8325	3.510	92	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6,6]	3:3:3:	3:3:1:	4:3:3:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]N[5a,6]C[6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H)	N[6,6](C[6,6]C[5a,6]C[6,6a]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])	C[6,6a](C[6,6a]N[5a,6]C[6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){3|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[6,6](C[6,6]C[5a,6]C[6,6a]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]){1|N<3>,2|H<1>,7|C<3>}	122.7490	0.000	1	122.7490	0.000	1	122.7490	0.000	1	123.7773	0.800	3	119.8325	3.510	92	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6,6]	3:3:3:	3:3:1:	4:3:3:	N[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[3x6]-4:C[6,6a]-3:C[6,6]-3:	C[6,6a](N[6,6]C[3x6]C[6,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H)	N[6,6](C[3x6]C[6,6]C[6]O[6])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])	C[6,6a](N[6,6]C[3x6]C[6,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6,6](C[3x6]C[6,6]C[6]O[6])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]){2|C<3>,6|C<4>,6|H<1>}	124.2915	0.121	2	124.2915	0.015	2	124.2915	0.015	2	123.7773	0.800	3	119.8325	3.510	92	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6,6]	3:3:3:	3:3:1:	4:3:4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[3x6]-4:C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6,6]C[6a])(N[6,6]C[3x6]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H)	N[6,6](C[3x6]C[6,6a]N[3x6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HN)	C[6,6a](C[6,6a]C[6,6]C[6a])(N[6,6]C[3x6]C[6])(C[6a]C[6a]H){3|C<3>,3|N<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	N[6,6](C[3x6]C[6,6a]N[3x6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HN){1|C<4>,1|H<1>,6|C<3>}	119.2050	0.000	1	119.2050	0.000	1	119.2050	0.000	1	122.7258	5.627	4	119.8325	3.510	92	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6,6]	3:3:3:	3:3:1:	4:3:4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H)	N[6,6](C[6,6]C[6,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,6|H<1>}	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,3|C<4>}	N[6,6](C[6,6]C[6,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|C<4>,4|H<1>,5|C<3>}	123.5130	0.000	1	123.9300	0.348	2	123.8993	0.177	3	122.7258	5.627	4	119.8325	3.510	92	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6,6]	3:3:3:	3:3:1:	4:3:4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H)	N[6,6](C[6,6]C[6,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,6|H<1>}	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,3|C<4>}	N[6,6](C[6,6]C[6,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|C<4>,4|H<1>,5|C<3>}	124.3470	0.000	1	123.9300	0.348	2	123.8993	0.177	3	122.7258	5.627	4	119.8325	3.510	92	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6,6]	3:3:3:	3:3:1:	4:3:4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]N[5a,6]C[6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]C)(H)	N[6,6](C[6,6]C[5a,6]C[6,6a]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6,6a](C[6,6a]N[5a,6]C[6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|N<2>,2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]C)(H){1|C<3>,1|N<3>,3|C<4>}	N[6,6](C[6,6]C[5a,6]C[6,6a]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|N<3>,3|H<1>,5|C<3>}	123.8380	0.000	1	123.8380	0.000	1	123.8993	0.177	3	122.7258	5.627	4	119.8325	3.510	92	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6,6]	3:3:3:	3:3:2:	3:4:4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:S-2:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]S)	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(SC)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]S){1|N<3>,2|C<3>,8|H<1>}	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(SC){1|C<3>,4|C<4>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|S<2>,4|C<3>}	118.2080	0.536	2	118.2080	0.287	2	118.2080	0.287	2	118.2080	0.287	2	119.8325	3.510	92	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6,6]	3:3:3:	3:3:3:	3:4:4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[5a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]N[5a])	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(N[5a]C[5a]2)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]N[5a]){1|N<3>,4|C<3>,8|H<1>}	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(N[5a]C[5a]2){1|N<2>,2|C<3>,3|C<4>,3|H<1>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|N<3>,4|C<3>}	120.1640	0.000	2	120.1640	0.000	2	120.1640	0.000	2	120.1640	0.000	2	119.8325	3.510	92	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6,6]	3:3:3:	3:3:4:	3:4:3:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]C)	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(CCCH)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]O)(C[6]C[6,6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]C){1|N<3>,1|O<2>,2|H<1>,2|O<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]O)(C[6]C[6,6a]O){2|C<4>,6|C<3>}	122.2690	0.000	1	122.2690	0.000	1	122.2690	0.000	1	122.2690	0.000	1	119.8325	3.510	92	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6,6]	3:3:3:	3:3:4:	3:4:4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]C)	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(CH3)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]C){2|C<3>,2|N<3>,7|H<1>}	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(CH3){1|C<3>,4|C<4>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){2|C<4>,4|C<3>}	119.4410	0.000	1	119.4410	0.000	1	118.5205	1.676	4	118.5205	1.676	4	119.8325	3.510	92	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6,6]	3:3:3:	3:3:4:	3:4:4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]C)	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(CH3)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HN)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]C){2|C<3>,2|N<3>,7|H<1>}	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(CH3){1|C<3>,4|C<4>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HN){2|C<4>,4|C<3>}	119.7990	0.000	1	119.7990	0.000	1	118.5205	1.676	4	118.5205	1.676	4	119.8325	3.510	92	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6,6]	3:3:3:	3:3:4:	3:4:4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]C)	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]N)(CH3)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]C){2|C<3>,3|N<3>,6|H<1>}	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]N)(CH3){1|C<3>,1|O<2>,3|C<4>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){2|C<4>,4|C<3>}	117.4210	0.356	2	117.4210	0.127	2	118.5205	1.676	4	118.5205	1.676	4	119.8325	3.510	92	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:2:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:O[6a]-2:O-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[5,6])(C[6a]O[6a]O)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(O[6a]C[6a,6a])(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[5a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[5,6])(C[6a]O[6a]O)(N[6]C[6]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(O[6a]C[6a,6a])(O){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[5a]H)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>,2|O<2>}	113.9910	0.000	1	113.9910	0.000	1	114.7378	0.591	4	114.7378	0.591	4	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:2:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:O[6a]-2:O-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[5,6])(C[6a]O[6a]O)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(O[6a]C[6a,6a])(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[5,6])(C[6a]O[6a]O)(N[6]C[6]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(O[6a]C[6a,6a])(O){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	115.5830	0.000	1	115.5830	0.000	1	114.7378	0.591	4	114.7378	0.591	4	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:2:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:O[6a]-2:O-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[6,6])(C[6a]O[6a]O)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(O[6a]C[6a,6a])(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6,6])(C[6a]O[6a]O)(N[6]C[6]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(O[6a]C[6a,6a])(O){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	114.6885	0.704	2	114.6885	0.495	2	114.7378	0.591	4	114.7378	0.591	4	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:2:1:	4:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:O[6a]-2:O-1:	C[6,6]-4:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]O[6a]O)(N[6]C[6,6]H)	C[6a](C[6,6a]C[6,6a]N[6])(O[6a]C[6a,6a])(O)	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]O[6a]O)(N[6]C[6,6]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(O[6a]C[6a,6a])(O){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	113.8520	0.000	1	113.8520	0.000	1	113.8520	0.000	1	113.8520	0.000	1	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:2:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:O[6]-2:C-4:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]O[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(CH3)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]O[6]C){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(CH3){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	121.5610	0.000	1	121.5610	0.000	1	121.5610	0.000	1	121.5610	0.000	1	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(H)	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(H){1|C<4>,1|H<1>,2|C<3>}	120.3550	0.000	1	120.3550	0.000	1	120.8906	0.272	5	120.4232	1.392	27	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]N[6])(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|S<2>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]N[6])(H){1|H<1>,2|S<2>,3|C<3>}	121.1110	0.000	1	121.1110	0.000	1	120.8906	0.272	5	120.4232	1.392	27	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|S<2>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(H){1|H<1>,1|N<2>,1|S<2>,3|C<3>}	120.8600	0.000	1	120.9957	0.360	3	120.8906	0.272	5	120.4232	1.392	27	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|S<2>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(H){1|H<1>,1|S<2>,4|C<3>}	121.0635	0.832	2	120.9957	0.360	3	120.8906	0.272	5	120.4232	1.392	27	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:F-1:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]H)(C[6a]C[6a]F)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]F)(F)	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]H)(C[6a]C[6a]F){2|F<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]F)(F){1|F<1>,1|H<1>,1|S<2>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(H){1|S<2>,2|F<1>,4|C<3>}	119.6565	0.230	2	119.6565	0.053	2	119.6565	0.053	2	120.4232	1.392	27	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[5a,6]H)(C[6a]C[6a]H){1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(H){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	118.2610	0.000	1	118.2610	0.000	1	119.1940	1.741	2	120.4232	1.392	27	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[5a,6]H)(C[6a]C[6a]H){1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(H){1|C<4>,1|H<1>,5|C<3>}	120.1270	0.000	1	120.1270	0.000	1	119.1940	1.741	2	120.4232	1.392	27	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])2(H){1|C<4>,2|H<1>,4|C<3>}	120.3880	0.018	2	120.3880	0.000	2	120.5152	1.640	18	120.4232	1.392	27	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])2(H){1|N<3>,2|H<1>,4|C<3>}	122.6280	0.347	4	122.6280	0.120	4	120.5152	1.640	18	120.4232	1.392	27	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[5a]C[6a])(H)	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[5a]C[6a])(H){1|S<2>,2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(H){1|S<2>,2|H<1>,4|C<3>}	119.8770	0.000	1	119.8770	0.000	1	120.5152	1.640	18	120.4232	1.392	27	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)(H){1|S<2>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])2(H){1|S<2>,2|H<1>,4|C<3>}	119.6970	0.000	1	119.6970	0.000	1	120.5152	1.640	18	120.4232	1.392	27	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|S<2>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])2(H){1|S<2>,2|H<1>,4|C<3>}	120.1238	0.338	8	120.1238	0.114	8	120.5152	1.640	18	120.4232	1.392	27	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]Se[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]Se[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|Se<2>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])2(H){1|Se<2>,2|H<1>,4|C<3>}	118.7105	0.094	2	118.7105	0.009	2	120.5152	1.640	18	120.4232	1.392	27	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[5,6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6,6a]C[5,6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,7|C<3>}	C[6a](C[6,6a]C[5,6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2){1|C<4>,4|H<1>,6|C<3>}	126.0400	0.119	2	126.0400	0.014	2	126.0400	0.014	2	121.6931	1.675	75	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]N[6])(C[6a]C[6a]2)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[6]C[6a]C[6])(C[6a]C[6a]H){1|H<1>,1|N<3>,6|C<3>}	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]N[6])(C[6a]C[6a]2){2|N<3>,3|H<1>,6|C<3>}	121.9980	0.000	1	121.9980	0.000	1	121.9980	0.000	1	121.6931	1.675	75	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2){1|C<4>,4|H<1>,6|C<3>}	120.6640	0.028	2	120.6640	0.001	2	121.5681	1.196	72	121.6931	1.675	75	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){2|C<4>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|C<4>,4|H<1>,6|C<3>}	121.0820	0.474	2	121.0820	0.224	2	121.5681	1.196	72	121.6931	1.675	75	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a,6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a,6a]H)(H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a,6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|H<1>,7|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a,6a]H)(H){1|N<3>,4|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2){1|N<3>,3|H<1>,7|C<3>}	121.3800	0.000	1	121.3800	0.000	1	121.5681	1.196	72	121.6931	1.675	75	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|C<4>,4|H<1>,6|C<3>}	121.0210	0.331	6	121.0210	0.110	6	121.5681	1.196	72	121.6931	1.675	75	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]N[6a])	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|N<2>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]N[6a]){1|C<4>,3|H<1>,6|C<3>}	119.0265	0.062	2	119.0265	0.004	2	121.5681	1.196	72	121.6931	1.675	75	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|N<3>,1|N<4>,3|H<1>,6|C<3>}	121.3930	0.332	2	121.3930	0.110	2	121.5681	1.196	72	121.6931	1.675	75	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a]){1|N<3>,2|H<1>,8|C<3>}	121.3590	0.000	1	121.3590	0.000	1	121.5681	1.196	72	121.6931	1.675	75	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2){1|N<3>,3|H<1>,7|C<3>}	122.4334	0.481	9	122.4334	0.231	9	121.5681	1.196	72	121.6931	1.675	75	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a,6a]N[6a])	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a,6a]N[6a]){1|O<2>,2|H<1>,7|C<3>}	123.0135	0.473	2	123.0135	0.224	2	121.5681	1.196	72	121.6931	1.675	75	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|C<4>,1|O<2>,3|H<1>,6|C<3>}	123.0250	0.000	1	123.0990	0.813	11	121.5681	1.196	72	121.6931	1.675	75	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|O<2>,4|H<1>,6|C<3>}	123.1064	0.950	10	123.0990	0.813	11	121.5681	1.196	72	121.6931	1.675	75	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]P[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]P[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|S<1>,2|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|P<4>,4|H<1>,6|C<3>}	121.7630	0.663	2	121.7630	0.440	2	121.5681	1.196	72	121.6931	1.675	75	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Cl)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Cl)(H){1|H<1>,1|S<2>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|S<2>,4|H<1>,6|C<3>}	120.5560	0.000	1	120.5560	0.000	1	121.5681	1.196	72	121.6931	1.675	75	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|C<4>,1|S<2>,3|H<1>,6|C<3>}	120.9638	0.323	6	121.0842	0.380	31	121.5681	1.196	72	121.6931	1.675	75	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|O<2>,1|S<2>,3|H<1>,6|C<3>}	121.6710	0.000	1	121.0842	0.380	31	121.5681	1.196	72	121.6931	1.675	75	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|S<2>,4|H<1>,6|C<3>}	121.0930	0.696	22	121.0842	0.380	31	121.5681	1.196	72	121.6931	1.675	75	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|N<3>,1|S<2>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|S<2>,4|H<1>,6|C<3>}	121.0555	0.517	2	121.0842	0.380	31	121.5681	1.196	72	121.6931	1.675	75	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[5,6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6a](C[6,6a]C[5,6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CH3)	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6,6a]C[5,6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CH3){1|C<4>,2|H<1>,4|C<3>}	126.4520	0.000	1	126.4520	0.000	1	126.4520	0.000	1	121.7999	1.701	59	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(CC[6a]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]C){1|C<3>,1|C<4>,1|N<2>,1|N<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(CC[6a]HH){1|H<1>,2|C<4>,4|C<3>}	119.0990	0.000	1	119.0990	0.000	1	119.0990	0.000	1	121.7999	1.701	59	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCCH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|B<3>,2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCCH){1|C<4>,2|C<3>,2|H<1>}	121.7740	0.000	1	121.7740	0.000	1	121.7740	0.000	1	121.7999	1.701	59	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:S-4:	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]C)(SC[6a]OO)	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]C)(SC[6a]OO){2|C<3>,2|C<4>,2|H<1>}	120.4600	0.000	1	120.4600	0.000	1	119.9446	2.665	5	121.7999	1.701	59	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:S-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(SC[6a]OO){1|C<4>,2|C<3>,3|H<1>}	120.6970	0.000	1	119.1030	2.115	3	119.9446	2.665	5	121.7999	1.701	59	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:S-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(SC[6a]OO){1|C<4>,2|C<3>,3|H<1>}	118.3060	0.648	2	119.1030	2.115	3	119.9446	2.665	5	121.7999	1.701	59	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:S-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|S<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(SC[6a]OO){1|C<4>,2|H<1>,3|C<3>}	121.9540	0.000	1	121.9540	0.000	1	119.9446	2.665	5	121.7999	1.701	59	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:F-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]F)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]F)(F)	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]F){2|F<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]F)(F){1|C<4>,1|F<1>,1|S<2>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){1|S<2>,2|F<1>,4|C<3>}	120.3245	0.013	2	120.3245	0.000	2	120.3245	0.000	2	121.7999	1.701	59	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CH3)	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|C<4>}	N[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CH3){1|C<4>,2|H<1>,4|C<3>}	121.2430	0.000	1	121.2430	0.000	1	122.0801	0.646	47	121.7999	1.701	59	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(CC3)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])2(CC3){1|C<4>,2|H<1>,4|C<3>}	120.5690	0.775	2	120.5690	0.601	2	122.0801	0.646	47	121.7999	1.701	59	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){2|C<3>,3|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])2(CH3){1|C<4>,2|H<1>,4|C<3>}	122.1690	0.556	2	122.2914	0.362	14	122.0801	0.646	47	121.7999	1.701	59	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(CH3){2|H<1>,5|C<3>}	122.7903	0.368	6	122.2914	0.362	14	122.0801	0.646	47	121.7999	1.701	59	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])2(CH3){1|C<4>,2|H<1>,4|C<3>}	121.7362	0.521	4	122.2914	0.362	14	122.0801	0.646	47	121.7999	1.701	59	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])2(CH3){1|C<4>,2|H<1>,4|C<3>}	122.0275	0.097	2	122.2914	0.362	14	122.0801	0.646	47	121.7999	1.701	59	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(CC3)	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(CC3){1|O<2>,2|H<1>,4|C<3>}	121.5890	0.475	2	121.5890	0.226	2	122.0801	0.646	47	121.7999	1.701	59	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){1|S<2>,2|H<1>,4|C<3>}	122.5294	0.253	8	122.4216	0.085	11	122.0801	0.646	47	121.7999	1.701	59	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|S<2>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){1|S<2>,2|H<1>,4|C<3>}	122.3190	0.000	1	122.4216	0.085	11	122.0801	0.646	47	121.7999	1.701	59	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|S<2>,2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){1|S<2>,2|H<1>,4|C<3>}	122.0420	0.103	2	122.4216	0.085	11	122.0801	0.646	47	121.7999	1.701	59	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(CH3)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<2>,1|C<4>,1|S<2>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(CH3){1|S<2>,2|H<1>,4|C<3>}	121.9360	0.000	1	122.2898	0.328	14	122.0801	0.646	47	121.7999	1.701	59	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(CH3)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(CH3){1|S<2>,2|H<1>,4|C<3>}	122.4583	0.420	7	122.2898	0.328	14	122.0801	0.646	47	121.7999	1.701	59	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(CH3)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,1|S<2>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(CH3){1|S<2>,2|H<1>,4|C<3>}	122.1522	0.745	6	122.2898	0.328	14	122.0801	0.646	47	121.7999	1.701	59	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){1|S<2>,2|H<1>,4|C<3>}	121.8610	0.000	1	121.8610	0.000	1	122.0801	0.646	47	121.7999	1.701	59	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]Si[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(CH3)	C[6,6a](C[6,6a]C[6a]Si[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|Pt<4>,1|Pt<5>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|Br<1>,1|Si<4>,1|C<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(CH3){1|Si<4>,2|H<1>,4|C<3>}	119.7840	0.444	2	119.7840	0.197	2	122.0801	0.646	47	121.7999	1.701	59	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,6|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH){2|C<4>,4|C<3>,4|H<1>}	120.4460	0.000	1	120.4460	0.000	1	120.3670	0.012	2	121.7999	1.701	59	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]CH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]CH){4|H<1>,5|C<3>}	120.2880	0.000	1	120.2880	0.000	1	120.3670	0.012	2	121.7999	1.701	59	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-4:H-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[5,6]H)	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5,6a]N[5,6]H)(H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[5,6]H){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5,6a]N[5,6]H)(H){1|H<1>,6|C<3>}	121.9400	0.000	1	121.9400	0.000	1	121.9400	0.000	1	120.8431	2.003	165	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6,6]H)	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6]C[6]2N[6])(H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6,6]H){1|H<1>,1|N<3>,5|C<3>}	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6]C[6]2N[6])(H){1|N<2>,3|H<1>,5|C<3>}	122.1000	0.557	2	121.9990	0.186	3	121.9990	0.186	3	120.8431	2.003	165	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6,6]H)	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6]C[6]2N[6])(H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6,6]H){1|H<1>,1|N<3>,5|C<3>}	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6]C[6]2N[6])(H){1|O<1>,3|H<1>,5|C<3>}	121.7970	0.000	1	121.9990	0.186	3	121.9990	0.186	3	120.8431	2.003	165	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6a]N[6]H)(H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6a]N[6]H)(H){2|H<1>,5|C<3>}	122.4721	0.724	10	122.4721	0.524	10	122.5555	0.437	15	120.8431	2.003	165	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]CC)(H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]H){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]CC)(H){2|H<1>,3|C<3>}	122.5847	0.343	3	122.5847	0.118	3	122.5555	0.437	15	120.8431	2.003	165	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]CH)(H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]CH)(H){2|H<1>,3|C<3>}	122.9285	0.906	2	122.9285	0.820	2	122.5555	0.437	15	120.8431	2.003	165	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[5,6a]H)(N[6]C[6]H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]N[6])(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]CC)(H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[5,6a]H)(N[6]C[6]H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<2>,2|C<4>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]N[6])(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]CC)(H){1|H<1>,4|C<3>}	120.5150	0.000	1	120.5150	0.000	1	119.5540	1.847	2	120.8431	2.003	165	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(N[6]C[6]H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]N[6])(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(N[6]C[6]H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]N[6])(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){3|H<1>,5|C<3>}	118.5930	0.000	1	118.5930	0.000	1	119.5540	1.847	2	120.8431	2.003	165	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-4:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[5,6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[5,6]H){2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(H){1|C<4>,4|C<3>,4|H<1>}	120.8100	0.000	1	120.8100	0.000	1	120.0590	1.970	15	120.8431	2.003	165	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-4:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[5,6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[5,6]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|H<1>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,4|C<3>}	120.7560	0.000	1	120.7560	0.000	1	120.0590	1.970	15	120.8431	2.003	165	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-4:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[5,6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[5,6]H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(H){1|H<1>,3|C<4>,4|C<3>}	120.2070	0.000	1	120.2070	0.000	1	120.0590	1.970	15	120.8431	2.003	165	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-4:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[5,6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]2)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[5,6]H){2|C<4>,2|O<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)(H){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]2)(H){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	118.8350	0.000	1	118.8350	0.000	1	120.0590	1.970	15	120.8431	2.003	165	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]2H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H){1|C<3>,2|C<4>,5|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]2H)(H){2|C<3>,2|H<1>,5|C<4>}	118.9590	0.000	1	118.9590	0.000	1	120.0590	1.970	15	120.8431	2.003	165	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<2>,1|C<4>,1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(H){2|C<4>,3|C<3>,3|H<1>}	121.4220	0.000	1	121.4220	0.000	1	120.0590	1.970	15	120.8431	2.003	165	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H){1|C<3>,3|H<1>,4|C<4>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|H<1>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	118.0880	0.000	1	118.6750	0.296	5	120.0590	1.970	15	120.8431	2.003	165	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	119.4460	0.000	1	118.6750	0.296	5	120.0590	1.970	15	120.8431	2.003	165	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	118.2280	0.000	1	118.6750	0.296	5	120.0590	1.970	15	120.8431	2.003	165	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|H<1>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	118.8065	0.101	2	118.6750	0.296	5	120.0590	1.970	15	120.8431	2.003	165	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2N[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2N[6])(H){1|H<1>,2|O<1>,6|C<3>}	121.6720	0.000	1	121.6720	0.000	1	120.0590	1.970	15	120.8431	2.003	165	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H){1|C<3>,1|F<1>,1|N<3>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]C)(H){2|C<4>,3|C<3>,3|H<1>}	120.6900	0.000	1	120.6900	0.000	1	120.0590	1.970	15	120.8431	2.003	165	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(H){2|H<1>,3|C<3>,3|C<4>}	122.1730	0.000	1	122.1730	0.000	1	120.0590	1.970	15	120.8431	2.003	165	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-4:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[5,6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[5,6]H){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	121.9860	0.000	1	121.9860	0.000	1	120.0590	1.970	15	120.8431	2.003	165	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[5a,6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]H){2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[5a,6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H){2|C<3>,3|C<4>,4|H<1>}	116.2170	0.000	1	116.2170	0.000	1	121.2859	4.241	9	120.8431	2.003	165	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]2)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]H){2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]2)(H){2|C<4>,4|C<3>,5|H<1>}	121.3020	0.000	1	121.3020	0.000	1	121.2859	4.241	9	120.8431	2.003	165	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]2)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]2)(H){2|C<4>,4|C<3>,5|H<1>}	120.6130	0.000	1	120.6130	0.000	1	121.2859	4.241	9	120.8431	2.003	165	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2N[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2N[6])(H){2|C<4>,3|C<3>,6|H<1>}	121.7250	0.000	1	122.3495	0.780	2	121.2859	4.241	9	120.8431	2.003	165	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2N[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2N[6])(H){2|C<4>,3|C<3>,6|H<1>}	122.9740	0.000	1	122.3495	0.780	2	121.2859	4.241	9	120.8431	2.003	165	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2N[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<4>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2N[6])(H){2|C<4>,3|C<3>,6|H<1>}	121.3810	0.000	1	121.3810	0.000	1	121.2859	4.241	9	120.8431	2.003	165	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6,6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6,6]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]C)(H){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	121.8500	0.000	1	121.8500	0.000	1	121.2859	4.241	9	120.8431	2.003	165	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6,6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6,6]H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(H){1|H<1>,1|N<3>,1|O<2>,4|C<3>}	122.9710	0.000	1	122.9710	0.000	1	121.2859	4.241	9	120.8431	2.003	165	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6,6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6,6]H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,6|H<1>}	122.5400	0.000	1	122.5400	0.000	1	121.2859	4.241	9	120.8431	2.003	165	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6,6]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6,6]C[6a]H)(H){2|C<4>,2|H<1>,4|C<3>}	120.8810	0.000	1	120.8810	0.000	1	120.6893	1.608	119	120.8431	2.003	165	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CH)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CH)(H){2|C<3>,2|C<4>,2|H<1>}	120.4070	0.000	1	120.4070	0.000	1	120.6893	1.608	119	120.8431	2.003	165	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[5a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|H<1>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[5a]H)(H){2|C<4>,2|H<1>,4|C<3>}	119.9070	0.000	1	119.9070	0.000	1	120.6893	1.608	119	120.8431	2.003	165	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H){2|C<4>,2|H<1>,4|C<3>}	120.0280	0.030	2	120.3560	0.149	6	120.6893	1.608	119	120.8431	2.003	165	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H){2|C<4>,2|H<1>,4|C<3>}	120.2400	0.000	1	120.3560	0.149	6	120.6893	1.608	119	120.8431	2.003	165	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H){2|C<4>,2|H<1>,4|C<3>}	120.1530	0.000	1	120.3560	0.149	6	120.6893	1.608	119	120.8431	2.003	165	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|Cl<1>,1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,1|H<1>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H){2|C<4>,2|H<1>,4|C<3>}	120.8435	0.005	2	120.3560	0.149	6	120.6893	1.608	119	120.8431	2.003	165	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Cl)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]CC)(H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>,1|N<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Cl)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]CC)(H){1|H<1>,1|N<2>,3|C<3>}	121.0200	0.000	1	121.0200	0.000	1	120.6893	1.608	119	120.8431	2.003	165	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]CC)(H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|N<2>,1|N<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]CC)(H){1|H<1>,4|C<3>}	122.2890	0.000	1	121.7623	0.670	3	120.6893	1.608	119	120.8431	2.003	165	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]CC)(H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|N<2>,1|N<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]CC)(H){1|H<1>,4|C<3>}	122.1790	0.000	1	121.7623	0.670	3	120.6893	1.608	119	120.8431	2.003	165	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]CC)(H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]CC)(H){1|H<1>,1|N<2>,3|C<3>}	120.8190	0.000	1	121.7623	0.670	3	120.6893	1.608	119	120.8431	2.003	165	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[5]H)(H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[5]H)(H){1|Fe<10>,1|H<1>,2|C<4>,4|C<3>}	120.4180	0.000	1	120.4180	0.000	1	120.6893	1.608	119	120.8431	2.003	165	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a]C)(H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a]C)(H){1|H<1>,6|C<3>}	120.8680	0.000	1	120.8680	0.000	1	120.6893	1.608	119	120.8431	2.003	165	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a]H)(H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a]H)(H){1|H<1>,1|N<2>,5|C<3>}	121.4710	0.000	1	121.3895	0.502	6	120.6893	1.608	119	120.8431	2.003	165	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a]H)(H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a]H)(H){1|H<1>,6|C<3>}	121.3732	0.791	5	121.3895	0.502	6	120.6893	1.608	119	120.8431	2.003	165	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,1|H<1>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H){2|C<4>,2|H<1>,4|C<3>}	120.0510	0.000	1	119.8810	0.022	3	120.6893	1.608	119	120.8431	2.003	165	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H){2|C<4>,2|H<1>,4|C<3>}	119.7990	0.000	1	119.8810	0.022	3	120.6893	1.608	119	120.8431	2.003	165	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|Cl<1>,1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,1|H<1>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H){2|C<4>,2|H<1>,4|C<3>}	119.7930	0.000	1	119.8810	0.022	3	120.6893	1.608	119	120.8431	2.003	165	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6,6]N[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]N[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]C[6a]H)(H){1|H<1>,2|N<2>,4|C<3>}	122.1530	0.000	1	122.1530	0.000	1	120.6893	1.608	119	120.8431	2.003	165	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|N<2>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]H)(H){1|H<1>,6|C<3>}	122.3210	0.000	1	122.3210	0.000	1	120.6893	1.608	119	120.8431	2.003	165	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[5,6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a,6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[5,6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a,6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H){2|C<4>,2|H<1>,4|C<3>}	118.2865	0.689	2	118.2865	0.475	2	120.6893	1.608	119	120.8431	2.003	165	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[6,6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a,6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6,6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a,6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H){2|C<4>,2|H<1>,4|C<3>}	118.0130	0.000	1	118.0130	0.000	1	120.6893	1.608	119	120.8431	2.003	165	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,3|C<4>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H){2|H<1>,3|C<3>}	121.9930	0.000	1	121.9930	0.000	1	120.6893	1.608	119	120.8431	2.003	165	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|B<3>,1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]H)(H){1|C<4>,2|H<1>,5|C<3>}	118.5570	0.000	1	118.5570	0.000	1	120.6893	1.608	119	120.8431	2.003	165	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6a]N[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6a]N[6])(H){1|O<2>,2|H<1>,6|C<3>}	121.3540	0.000	1	121.3540	0.000	1	120.6893	1.608	119	120.8431	2.003	165	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|C<4>,6|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H){1|H<1>,2|C<3>,3|C<4>}	120.2330	0.000	1	120.2330	0.000	1	120.6893	1.608	119	120.8431	2.003	165	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H){2|H<1>,3|C<3>}	120.1510	0.000	1	120.2167	0.440	4	120.6893	1.608	119	120.8431	2.003	165	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|I<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H){2|H<1>,3|C<3>}	119.9350	0.000	1	120.2167	0.440	4	120.6893	1.608	119	120.8431	2.003	165	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H){1|C<4>,2|C<3>,3|H<1>}	119.6240	0.000	1	120.2167	0.440	4	120.6893	1.608	119	120.8431	2.003	165	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H){2|H<1>,3|C<3>}	121.1570	0.000	1	120.2167	0.440	4	120.6893	1.608	119	120.8431	2.003	165	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){3|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H){1|C<4>,1|H<1>,3|C<3>}	119.1470	0.000	1	119.1470	0.000	1	120.6893	1.608	119	120.8431	2.003	165	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|C<4>,6|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,1|H<1>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H){1|C<4>,2|H<1>,3|C<3>}	118.7810	0.000	1	119.2545	0.891	4	120.6893	1.608	119	120.8431	2.003	165	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|C<4>,6|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H){1|H<1>,2|C<4>,3|C<3>}	120.5230	0.000	1	119.2545	0.891	4	120.6893	1.608	119	120.8431	2.003	165	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,2|C<4>,5|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H){1|C<4>,2|C<3>,3|H<1>}	118.3460	0.000	1	119.2545	0.891	4	120.6893	1.608	119	120.8431	2.003	165	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,2|C<4>,5|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	119.3680	0.000	1	119.2545	0.891	4	120.6893	1.608	119	120.8431	2.003	165	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(H){1|C<4>,3|H<1>,4|C<3>}	119.6960	0.000	1	119.6960	0.000	1	120.6893	1.608	119	120.8431	2.003	165	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|C<4>,3|H<1>,4|C<3>}	118.8833	0.996	3	119.4884	0.540	19	120.6893	1.608	119	120.8431	2.003	165	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){2|H<1>,6|C<3>}	120.1210	0.000	1	119.4884	0.540	19	120.6893	1.608	119	120.8431	2.003	165	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){3|H<1>,5|C<3>}	120.2750	0.271	3	119.4884	0.540	19	120.6893	1.608	119	120.8431	2.003	165	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|S<4>,2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|C<4>,3|H<1>,4|C<3>}	118.8120	0.000	1	119.4884	0.540	19	120.6893	1.608	119	120.8431	2.003	165	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|C<4>,1|S<2>,2|H<1>,4|C<3>}	119.9880	0.000	1	119.4884	0.540	19	120.6893	1.608	119	120.8431	2.003	165	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|C<4>,2|H<1>,5|C<3>}	119.7740	0.000	1	119.4884	0.540	19	120.6893	1.608	119	120.8431	2.003	165	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|C<4>,3|H<1>,4|C<3>}	119.8483	0.624	4	119.4884	0.540	19	120.6893	1.608	119	120.8431	2.003	165	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|C<4>,3|H<1>,4|C<3>}	119.2170	0.000	1	119.4884	0.540	19	120.6893	1.608	119	120.8431	2.003	165	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|C<4>,3|H<1>,4|C<3>}	118.8860	0.081	2	119.4884	0.540	19	120.6893	1.608	119	120.8431	2.003	165	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,1|H<1>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|C<4>,3|H<1>,4|C<3>}	118.5760	0.000	1	119.4884	0.540	19	120.6893	1.608	119	120.8431	2.003	165	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|C<4>,3|H<1>,4|C<3>}	119.1510	0.000	1	119.4884	0.540	19	120.6893	1.608	119	120.8431	2.003	165	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]C)(H){2|H<1>,5|C<3>}	122.2300	0.290	2	122.2300	0.084	2	120.6893	1.608	119	120.8431	2.003	165	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<2>,2|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H){1|C<4>,1|H<1>,4|C<3>}	120.1570	0.257	2	120.8543	1.217	9	120.6893	1.608	119	120.8431	2.003	165	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<2>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H){1|H<1>,5|C<3>}	122.9990	0.000	1	120.8543	1.217	9	120.6893	1.608	119	120.8431	2.003	165	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H){1|H<1>,1|N<2>,5|C<3>}	120.6410	0.000	1	120.8543	1.217	9	120.6893	1.608	119	120.8431	2.003	165	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H){2|H<1>,5|C<3>}	121.7175	0.385	2	120.8543	1.217	9	120.6893	1.608	119	120.8431	2.003	165	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,2|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H){1|C<4>,1|H<1>,1|N<2>,1|S<4>,3|C<3>}	120.0320	0.000	1	120.8543	1.217	9	120.6893	1.608	119	120.8431	2.003	165	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,2|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H){1|C<4>,1|H<1>,1|S<4>,4|C<3>}	119.5430	0.000	1	120.8543	1.217	9	120.6893	1.608	119	120.8431	2.003	165	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,2|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H){1|C<4>,2|H<1>,4|C<3>}	120.7250	0.000	1	120.8543	1.217	9	120.6893	1.608	119	120.8431	2.003	165	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|N<2>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H){1|H<1>,3|C<3>}	122.0620	0.000	3	121.9804	0.030	11	120.6893	1.608	119	120.8431	2.003	165	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H){1|H<1>,4|C<3>}	122.1450	0.000	1	121.9804	0.030	11	120.6893	1.608	119	120.8431	2.003	165	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H){2|H<1>,3|C<3>}	121.9085	0.209	6	121.9804	0.030	11	120.6893	1.608	119	120.8431	2.003	165	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|Pd<4>,1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H){1|H<1>,4|C<3>}	122.0020	0.000	1	121.9804	0.030	11	120.6893	1.608	119	120.8431	2.003	165	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H){1|C<4>,1|H<1>,3|C<3>}	121.8630	0.314	6	121.8630	0.099	6	120.6893	1.608	119	120.8431	2.003	165	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CC)(H){1|C<4>,1|H<1>,2|C<3>}	120.8310	0.014	2	120.8310	0.000	2	120.6893	1.608	119	120.8431	2.003	165	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H){1|C<4>,2|H<1>,3|C<3>}	118.7470	0.000	1	118.7470	0.000	1	120.6893	1.608	119	120.8431	2.003	165	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(H){2|H<1>,5|C<3>}	119.6780	0.000	1	119.6780	0.000	1	120.6893	1.608	119	120.8431	2.003	165	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H){3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	121.9590	0.000	1	121.9590	0.000	1	120.6893	1.608	119	120.8431	2.003	165	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|C<4>,5|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H){1|N<3>,2|C<3>,3|H<1>}	121.0370	0.284	2	121.0370	0.081	2	120.6893	1.608	119	120.8431	2.003	165	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|N<2>,1|N<3>,2|H<1>,4|C<3>}	121.9640	0.000	1	120.6797	1.156	13	120.6893	1.608	119	120.8431	2.003	165	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|N<3>,2|H<1>,5|C<3>}	120.3032	0.500	11	120.6797	1.156	13	120.6893	1.608	119	120.8431	2.003	165	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H){3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|H<1>,1|N<2>,5|C<3>}	123.5370	0.000	1	120.6797	1.156	13	120.6893	1.608	119	120.8431	2.003	165	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|H<1>,1|N<3>,6|C<3>}	121.9070	0.000	1	121.9070	0.000	1	120.6893	1.608	119	120.8431	2.003	165	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Cl)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]H){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Cl)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|O<2>,2|H<1>,5|C<3>}	121.7975	0.145	2	121.7975	0.021	2	120.6893	1.608	119	120.8431	2.003	165	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]C)(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,3|C<3>}	123.5950	0.000	1	123.5950	0.000	1	120.6893	1.608	119	120.8431	2.003	165	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]H){3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	122.9860	0.000	1	122.9860	0.000	1	120.6893	1.608	119	120.8431	2.003	165	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<2>,1|C<3>,1|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H){1|H<1>,1|S<2>,2|C<3>,2|C<4>}	119.3400	0.000	1	119.3400	0.000	1	120.6893	1.608	119	120.8431	2.003	165	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[6a]C)(H)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[6a]C)(H){1|H<1>,1|N<3>,5|C<3>}	122.8840	0.000	1	122.8840	0.000	1	120.6893	1.608	119	120.8431	2.003	165	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[6a]H)(H)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[6a]H)(H){1|H<1>,1|N<3>,5|C<3>}	122.4580	0.000	1	122.4580	0.000	1	120.6893	1.608	119	120.8431	2.003	165	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]F)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|F<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]F)(H){1|C<3>,1|C<4>,1|F<1>,1|H<1>,1|N<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H){1|N<3>,2|H<1>,5|C<3>}	120.0840	0.000	1	120.0840	0.000	1	120.6893	1.608	119	120.8431	2.003	165	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:S[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]H){1|O<2>,2|C<3>,2|H<1>,2|O<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|S<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(H){1|H<1>,4|C<3>}	119.2540	0.000	1	119.2540	0.000	1	119.2540	0.000	1	120.8431	2.003	165	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:2:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O[6]-2:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6]O[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6]O[6])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(O[6]C[6]){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	120.4130	0.000	1	120.3225	0.016	2	120.3225	0.016	2	120.3225	0.016	2	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:2:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O[6]-2:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6]O[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6]O[6])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|O<2>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(O[6]C[6]){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	120.2320	0.000	1	120.3225	0.016	2	120.3225	0.016	2	120.3225	0.016	2	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:Br-1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]Br)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(Br)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(COO)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]Br)(N[6]C[6]C){1|C<3>,1|C<4>,1|F<1>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(Br){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(COO){1|Br<1>,1|O<2>,2|C<3>,2|H<1>}	124.6130	0.246	2	124.6130	0.061	2	124.6130	0.061	2	122.9183	8.646	3	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Cl)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(COO)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|Cl<1>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(COO){1|H<1>,4|C<3>}	119.5290	0.000	1	119.5290	0.000	1	119.5290	0.000	1	122.9183	8.646	3	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[5,6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6a](C[6,6a]C[5,6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO)	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[5,6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	N[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO){1|C<4>,2|C<3>,3|H<1>}	125.7460	0.000	1	125.7460	0.000	1	125.7460	0.000	1	121.4024	2.848	120	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[5,6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[5,6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[5,6a]C[5,6a]C[5])(H)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]HH)(CH3)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[5,6a]H)(N[6]C[6]C){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[5,6a]C[5,6a]C[5])(H){1|O<2>,3|C<4>,4|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]HH)(CH3){3|C<3>,3|H<1>}	121.4530	0.000	1	121.4530	0.000	1	121.4530	0.000	1	121.4024	2.848	120	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-4:C-4:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[5,6]C)	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5,6a]C[5]N[6])(CH3)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[5,6]C){1|H<1>,1|N<3>,5|C<3>}	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5,6a]C[5]N[6])(CH3){1|C<4>,1|H<1>,1|O<1>,6|C<3>}	122.2235	0.834	2	122.2235	0.695	2	122.3093	0.125	10	121.4024	2.848	120	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-4:C-4:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[5,6]C)	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5]2N[6])(CH3)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[5,6]C){1|H<1>,1|N<3>,5|C<3>}	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5]2N[6])(CH3){1|C<4>,1|H<1>,2|O<1>,5|C<3>}	122.3307	0.244	8	122.3307	0.059	8	122.3093	0.125	10	121.4024	2.848	120	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6a]N[6]H)(CN[5a]HH)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6a]N[6]H)(CN[5a]HH){1|C<4>,1|H<1>,5|C<3>}	120.4780	0.000	1	120.4780	0.000	1	122.9193	1.491	9	121.4024	2.848	120	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]CC)(CH3)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]CC)(CH3){1|C<4>,1|H<1>,3|C<3>}	122.9363	0.679	3	122.9363	0.462	3	122.9193	1.491	9	121.4024	2.848	120	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]HH)(CHHP)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]HH)(CHHP){1|C<4>,1|H<1>,3|C<3>}	124.1635	0.059	2	123.3597	1.940	3	122.9193	1.491	9	121.4024	2.848	120	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]HH)(CHHP)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C){1|N<4>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]HH)(CHHP){1|Ru<6>,1|C<4>,1|H<1>,3|C<3>}	121.7520	0.000	1	123.3597	1.940	3	122.9193	1.491	9	121.4024	2.848	120	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]IrH)(CHHP)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C){1|Ir<6>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]IrH)(CHHP){1|C<4>,1|H<1>,3|C<3>}	123.4540	0.099	2	123.4540	0.010	2	122.9193	1.491	9	121.4024	2.848	120	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:Br-1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(N[6]C[6]S)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(Br)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(N[6]C[6]S){3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(Br){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO){1|Br<1>,1|C<4>,3|C<3>}	122.0780	0.000	1	122.0780	0.000	1	122.0780	0.000	1	121.4024	2.848	120	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-4:S-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]S)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]S){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(SC[6a]OO){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	121.1520	0.000	1	120.7523	0.556	3	121.2370	1.361	5	121.4024	2.848	120	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-4:S-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]S)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]S){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(SC[6a]OO){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	119.8920	0.000	1	120.7523	0.556	3	121.2370	1.361	5	121.4024	2.848	120	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-4:S-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]S)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]S){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(SC[6a]OO){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	121.2130	0.000	1	120.7523	0.556	3	121.2370	1.361	5	121.4024	2.848	120	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-4:S-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]S)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]S){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(SC[6a]OO){1|H<1>,3|C<4>,4|C<3>}	120.8300	0.000	1	120.8300	0.000	1	121.2370	1.361	5	121.4024	2.848	120	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-4:S-4:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[5,6]S)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[5,6]S){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>,1|S<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(SC[6a]OO){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	123.0980	0.000	1	123.0980	0.000	1	121.2370	1.361	5	121.4024	2.848	120	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:C-4:	C[6,6a](C[6,6a]C[6a,6a]C[3x6])(C[6a]C[6a]H)(N[6]C[6,6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a,6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]O[6,6]O[6]C)(CCHH)	C[6,6a](C[6,6a]C[6a,6a]C[3x6])(C[6a]C[6a]H)(N[6]C[6,6]C){1|C<4>,1|H<1>,2|O<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a,6a]H)(H){2|C<3>,3|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]O[6,6]O[6]C)(CCHH){1|C<4>,1|H<1>,3|C<3>}	117.8280	0.000	1	117.8280	0.000	1	120.5565	4.445	4	121.4024	2.848	120	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CCHH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]C){1|C<3>,3|H<1>,4|C<4>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,4|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CCHH){2|C<3>,3|C<4>,4|H<1>}	120.0220	0.000	1	120.0220	0.000	1	120.5565	4.445	4	121.4024	2.848	120	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:C-4:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CH3)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6]C){1|C<2>,1|C<3>,2|H<1>,3|C<4>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)(H){1|C<2>,1|C<3>,1|N<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CH3){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	121.8130	0.000	1	121.8130	0.000	1	120.5565	4.445	4	121.4024	2.848	120	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:C-4:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]O)(CCHH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6]C){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]O)(CCHH){1|H<1>,1|N<2>,1|O<1>,2|C<3>,2|N<3>}	122.5630	0.000	1	122.5630	0.000	1	120.5565	4.445	4	121.4024	2.848	120	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:S-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]S)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]S){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,1|S<4>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(SC[6a]OO){2|C<4>,3|C<3>,4|H<1>}	120.7450	0.000	1	120.7450	0.000	1	120.1223	0.741	3	121.4024	2.848	120	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:S-4:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6]S)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6]S){1|C<3>,1|S<4>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|S<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(SC[6a]OO){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	120.4820	0.000	1	120.4820	0.000	1	120.1223	0.741	3	121.4024	2.848	120	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:S-4:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6,6]S)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6,6]S){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|S<2>,1|S<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(SC[6a]OO){1|S<2>,2|C<3>,2|C<4>,4|H<1>}	119.1400	0.000	1	119.1400	0.000	1	120.1223	0.741	3	121.4024	2.848	120	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CH3)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CH3){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	123.4750	0.000	1	122.6234	0.750	7	122.9722	2.318	26	121.4024	2.848	120	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CH3)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,3|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CH3){2|C<3>,2|C<4>,2|H<1>}	121.4160	0.000	1	122.6234	0.750	7	122.9722	2.318	26	121.4024	2.848	120	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CH3)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,3|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CH3){1|C<4>,2|H<1>,3|C<3>}	122.4590	0.000	1	122.6234	0.750	7	122.9722	2.318	26	121.4024	2.848	120	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CH3)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CH3){1|C<4>,2|H<1>,3|C<3>}	122.7535	0.861	4	122.6234	0.750	7	122.9722	2.318	26	121.4024	2.848	120	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]C[6a]H)(CH3)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]C[6a]H)(CH3){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	121.6360	0.000	1	121.6360	0.000	1	122.9722	2.318	26	121.4024	2.848	120	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)(CH3)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|C<2>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)(CH3){1|H<1>,4|C<3>}	122.8310	0.000	1	122.8310	0.000	1	122.9722	2.318	26	121.4024	2.848	120	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(CH3)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(CH3){1|H<1>,4|C<3>}	121.2490	0.000	1	121.2490	0.000	1	122.9722	2.318	26	121.4024	2.848	120	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3]N[6]H)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3]N[6]H)(CH3){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	122.3520	0.000	1	122.3520	0.000	1	122.9722	2.318	26	121.4024	2.848	120	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CH3){1|H<1>,4|C<3>}	121.4800	0.195	2	121.4800	0.038	2	122.9722	2.318	26	121.4024	2.848	120	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]HH){1|C<4>,3|H<1>,4|C<3>}	118.4750	0.000	1	118.4750	0.000	1	122.9722	2.318	26	121.4024	2.848	120	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(CCHH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(CCHH){2|H<1>,5|C<3>}	123.3820	0.280	2	123.3820	0.078	2	122.9722	2.318	26	121.4024	2.848	120	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]H)(CC[6a]HH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C){3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]H)(CC[6a]HH){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	124.8100	0.000	1	124.9040	0.017	3	122.9722	2.318	26	121.4024	2.848	120	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]H)(CC[6a]HH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C){3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|N<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]H)(CC[6a]HH){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	124.9510	0.144	2	124.9040	0.017	3	122.9722	2.318	26	121.4024	2.848	120	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCHH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCHH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	123.9820	0.000	1	123.9820	0.000	1	122.9722	2.318	26	121.4024	2.848	120	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CC[6a]HH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C){1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CC[6a]HH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	123.3410	0.000	1	123.3410	0.000	1	122.9722	2.318	26	121.4024	2.848	120	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]Si[6]CC)(CCHH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C){1|Si<4>,1|C<3>,2|H<1>,3|C<4>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]Si[6]CC)(CCHH){1|Cl<1>,1|Si<4>,1|H<1>,1|N<3>,2|C<3>}	123.1540	0.000	1	123.1540	0.000	1	122.9722	2.318	26	121.4024	2.848	120	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]C){2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	124.5810	0.000	1	124.5810	0.000	1	122.9722	2.318	26	121.4024	2.848	120	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]HH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]C){2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]HH){1|H<1>,1|O<2>,3|C<3>}	124.8910	0.000	1	124.8910	0.000	1	122.9722	2.318	26	121.4024	2.848	120	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HP)(CC[6a]HH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]C){1|P<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HP)(CC[6a]HH){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	124.8720	0.000	1	124.8720	0.000	1	122.9722	2.318	26	121.4024	2.848	120	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CCHH)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|N<3>,2|O<1>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|S<4>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CCHH){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	123.1140	0.000	1	123.1140	0.000	1	122.9722	2.318	26	121.4024	2.848	120	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]HH)(SC[6a]OO)	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]HH)(SC[6a]OO){1|C<4>,2|H<1>,3|C<3>}	119.3655	0.343	2	119.3655	0.118	2	120.4325	1.191	55	121.4024	2.848	120	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(SC[6a]OO)	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(SC[6a]OO){1|H<1>,2|C<4>,3|C<3>}	119.7150	0.000	1	119.7150	0.000	1	120.4325	1.191	55	121.4024	2.848	120	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CH)(SC[6a]OO)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CH)(SC[6a]OO){1|C<4>,2|H<1>,3|C<3>}	120.7620	0.000	1	120.7620	0.000	1	120.4325	1.191	55	121.4024	2.848	120	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(SC[6a]OO)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(SC[6a]OO){1|C<4>,1|H<1>,5|C<3>}	120.4870	0.000	1	120.4870	0.000	1	120.4325	1.191	55	121.4024	2.848	120	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(SC[6a]OO)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(SC[6a]OO){2|C<3>,2|C<4>,2|H<1>}	120.1380	0.000	1	120.1380	0.000	1	120.4325	1.191	55	121.4024	2.848	120	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SCOO)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SCOO){1|C<4>,2|C<3>,3|H<1>}	120.2990	0.000	1	120.2990	0.000	1	120.4325	1.191	55	121.4024	2.848	120	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(SC[6a]OO){1|H<1>,2|C<4>,3|C<3>}	119.0050	0.000	1	119.7808	0.603	5	120.4325	1.191	55	121.4024	2.848	120	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,2|C<4>,5|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(SC[6a]OO){2|C<3>,2|C<4>,2|H<1>}	119.7230	1.032	2	119.7808	0.603	5	120.4325	1.191	55	121.4024	2.848	120	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(SC[6a]OO){1|C<4>,1|H<1>,4|C<3>}	119.8140	0.000	1	119.7808	0.603	5	120.4325	1.191	55	121.4024	2.848	120	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(SC[6a]OO){1|H<1>,5|C<3>}	120.6390	0.000	1	119.7808	0.603	5	120.4325	1.191	55	121.4024	2.848	120	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(SC[6a]OO){1|C<4>,1|H<1>,3|C<3>}	118.0250	0.000	1	118.0250	0.000	1	120.4325	1.191	55	121.4024	2.848	120	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]2)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]2)(H){1|C<4>,1|H<1>,1|S<4>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(SC[6a]OO){1|H<1>,4|C<3>}	119.4070	0.354	2	119.4070	0.125	2	120.4325	1.191	55	121.4024	2.848	120	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)(SC[6a]OO){1|H<1>,4|C<3>}	120.3480	0.000	1	120.3480	0.000	1	120.4325	1.191	55	121.4024	2.848	120	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,1|S<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(SC[6a]OO){1|H<1>,4|C<3>}	119.8030	0.000	1	119.8030	0.000	1	120.4325	1.191	55	121.4024	2.848	120	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,1|S<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(SC[6a]OO){1|H<1>,4|C<3>}	118.3950	0.000	1	118.3950	0.000	1	120.4325	1.191	55	121.4024	2.848	120	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO){2|H<1>,3|C<3>}	120.0600	0.000	1	120.0600	0.000	1	120.4325	1.191	55	121.4024	2.848	120	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CH)(SC[6a]OO){1|C<4>,1|H<1>,4|C<3>}	120.9710	0.000	1	121.3390	0.271	2	120.4325	1.191	55	121.4024	2.848	120	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CH)(SC[6a]OO){1|C<4>,1|H<1>,4|C<3>}	121.7070	0.000	1	121.3390	0.271	2	120.4325	1.191	55	121.4024	2.848	120	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(SC[6a]OO){1|C<4>,1|H<1>,6|C<3>}	120.5910	0.000	1	120.5910	0.000	1	120.4325	1.191	55	121.4024	2.848	120	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,2|C<4>,5|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(SC[6a]OO){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	120.7545	0.228	2	120.7545	0.052	2	120.4325	1.191	55	121.4024	2.848	120	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<2>,1|C<3>,2|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(SC[6a]OO){1|C<4>,2|H<1>,3|C<3>}	120.2300	0.000	1	120.5867	0.139	6	120.4325	1.191	55	121.4024	2.848	120	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,3|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(SC[6a]OO){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.9725	0.125	2	120.5867	0.139	6	120.4325	1.191	55	121.4024	2.848	120	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(SC[6a]OO){1|C<4>,1|H<1>,3|C<3>}	120.4483	0.312	3	120.5867	0.139	6	120.4325	1.191	55	121.4024	2.848	120	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SCOO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,1|C<4>,6|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SCOO){1|C<4>,2|C<3>,3|H<1>}	120.2005	0.060	2	120.2005	0.004	2	120.4325	1.191	55	121.4024	2.848	120	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO){1|C<4>,2|H<1>,3|C<3>}	124.6290	0.000	1	120.8861	3.049	7	120.4325	1.191	55	121.4024	2.848	120	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,1|C<4>,6|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO){1|C<4>,2|C<3>,3|H<1>}	119.9065	0.760	2	120.8861	3.049	7	120.4325	1.191	55	121.4024	2.848	120	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,2|C<4>,5|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO){1|C<4>,2|H<1>,3|C<3>}	120.1650	0.000	1	120.8861	3.049	7	120.4325	1.191	55	121.4024	2.848	120	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO){1|C<4>,1|H<1>,3|C<3>}	120.0400	0.000	1	120.8861	3.049	7	120.4325	1.191	55	121.4024	2.848	120	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){2|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO){1|H<1>,4|C<3>}	121.2910	0.000	1	120.8861	3.049	7	120.4325	1.191	55	121.4024	2.848	120	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO){1|C<4>,1|H<1>,3|C<3>}	120.2650	0.000	1	120.8861	3.049	7	120.4325	1.191	55	121.4024	2.848	120	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6])(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|S<2>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6])(SC[6a]OO){2|H<1>,7|C<3>}	120.3000	0.000	1	120.3000	0.000	1	120.4325	1.191	55	121.4024	2.848	120	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(SC[6a]OO){1|C<4>,1|F<1>,1|H<1>,5|C<3>}	121.5980	0.000	1	121.1125	0.471	2	120.4325	1.191	55	121.4024	2.848	120	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(SC[6a]OO){1|C<4>,1|H<1>,2|C<2>,4|C<3>}	120.6270	0.000	1	121.1125	0.471	2	120.4325	1.191	55	121.4024	2.848	120	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(SC[6a]OO){1|C<4>,1|H<1>,3|C<3>}	121.4460	0.000	1	121.4460	0.000	1	120.4325	1.191	55	121.4024	2.848	120	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CN)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|N<2>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CN)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	119.5250	0.000	1	119.5250	0.000	1	120.4325	1.191	55	121.4024	2.848	120	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<2>,1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,1|S<4>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO){1|C<4>,2|H<1>,3|C<3>}	120.1690	0.000	1	120.1690	0.000	1	120.4325	1.191	55	121.4024	2.848	120	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6])(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|H<1>,1|O<2>,5|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,1|S<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6])(SC[6a]OO){2|H<1>,7|C<3>}	119.3270	0.000	1	119.3270	0.000	1	120.4325	1.191	55	121.4024	2.848	120	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,1|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|S<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO){1|N<2>,2|H<1>,3|C<3>}	120.4110	0.000	1	120.3593	0.505	4	120.4325	1.191	55	121.4024	2.848	120	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,1|C<4>,5|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|S<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	121.3420	0.000	1	120.3593	0.505	4	120.4325	1.191	55	121.4024	2.848	120	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]S){1|S<4>,2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|S<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO){1|H<1>,1|N<3>,3|C<3>}	119.8420	0.106	2	120.3593	0.505	4	120.4325	1.191	55	121.4024	2.848	120	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(SCOO)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>,1|S<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(SCOO){1|H<1>,1|O<2>,4|C<3>}	123.1810	0.000	1	123.1810	0.000	1	120.4325	1.191	55	121.4024	2.848	120	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,1|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>,1|S<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO){1|O<2>,2|H<1>,3|C<3>}	122.5210	0.000	1	122.0180	0.506	2	120.4325	1.191	55	121.4024	2.848	120	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]S){2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>,1|S<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO){1|H<1>,1|O<2>,3|C<3>}	121.5150	0.000	1	122.0180	0.506	2	120.4325	1.191	55	121.4024	2.848	120	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|S<2>,1|S<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(SC[6a]OO){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	121.1680	0.000	1	121.1680	0.000	1	120.4325	1.191	55	121.4024	2.848	120	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Br)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[5a]H)(SC[6a]OO)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){1|Br<1>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Br)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|S<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[5a]H)(SC[6a]OO){1|H<1>,1|N<3>,1|O<2>,4|C<3>}	121.5900	0.000	1	121.5900	0.000	1	120.4325	1.191	55	121.4024	2.848	120	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:S[6]-4:C-4:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]S[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6,6]OO)(CH3)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]S[6]C){1|O<2>,2|C<3>,2|H<1>,2|O<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6,6]OO)(CH3){1|C<4>,1|H<1>,3|C<3>}	120.4800	0.000	1	120.4800	0.000	1	119.9596	0.239	5	121.4024	2.848	120	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:S[6]-4:C-4:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]S[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6,6a]OO)(CH3)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]S[6]C){1|O<2>,2|C<3>,2|H<1>,2|O<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6,6a]OO)(CH3){1|H<1>,4|C<3>}	120.2240	0.000	1	120.2240	0.000	1	119.9596	0.239	5	121.4024	2.848	120	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:S[6]-4:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CCHH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]C){1|C<3>,1|C<4>,2|H<1>,3|O<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CCHH){3|C<3>,3|H<1>}	120.1810	0.000	1	120.1810	0.000	1	119.9596	0.239	5	121.4024	2.848	120	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:S[6]-4:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]C){1|C<3>,1|C<4>,1|N<2>,2|H<1>,2|O<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|S<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CH3){3|C<3>,3|H<1>}	119.4565	0.241	2	119.4565	0.058	2	119.9596	0.239	5	121.4024	2.848	120	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[5,6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[5,6]H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	N[6](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(H){1|C<4>,3|H<1>,4|C<3>}	120.4880	0.000	1	120.4880	0.000	1	117.6730	3.675	4	119.0649	5.639	10	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[5a,6a]H)(H)	N[6](C[5,6]C[5,5a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H){2|H<1>,3|C<3>,3|C<4>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[5a,6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	N[6](C[5,6]C[5,5a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	116.7347	0.479	3	116.7347	0.230	3	117.6730	3.675	4	119.0649	5.639	10	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6]-4:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6]C[6,6a]N[5a,6]C[6])(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6,6]C[6,6a]N[5a,6]C[6])(C[6,6a]C[6,6a]C[6a])(H){1|C<4>,1|N<2>,3|H<1>,5|C<3>}	121.9900	0.000	1	121.9900	0.000	1	119.9928	5.362	6	119.0649	5.639	10	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6]-4:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[5a,6a]H)(H)	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]H){2|H<1>,3|C<3>,3|C<4>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[5a,6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(H){2|C<4>,2|H<1>,4|C<3>}	115.4330	0.000	1	115.4330	0.000	1	119.9928	5.362	6	119.0649	5.639	10	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6]-4:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6]C[6,6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	N[6](C[6,6]C[6,6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a])(H){1|H<1>,3|C<4>,5|C<3>}	120.2300	0.000	1	120.2300	0.000	1	119.9928	5.362	6	119.0649	5.639	10	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6]-4:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]H){2|C<3>,2|N<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(H){1|H<1>,2|C<4>,4|C<3>}	120.7680	0.292	3	120.7680	0.085	3	119.9928	5.362	6	119.0649	5.639	10	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[6,6a]-3:S-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]S)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]S){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	N[6](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(SC[6a]OO){1|C<4>,1|H<1>,1|N<3>,1|O<2>,4|C<3>}	121.7010	0.000	1	121.7010	0.000	1	121.7010	0.000	1	122.1850	0.469	2	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[5,6,6]-4:C[6,6a]-3:S-4:	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[5,6,6]S)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6,6a]C[6a])(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[5,6,6]S)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>,1|S<4>}	N[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6,6a]C[6a])(SC[6a]OO){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	122.6690	0.000	1	122.6690	0.000	1	122.6690	0.000	1	122.1850	0.469	2	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H){2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OH){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|O<2>,3|C<3>}	122.0540	0.000	1	122.0540	0.000	1	122.0540	0.000	1	121.0335	2.083	2	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:S[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]S[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OC)	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]S[6]H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|S<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]O)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	120.0130	0.000	1	120.0130	0.000	1	120.0130	0.000	1	121.0335	2.083	2	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C-2:	C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6,6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]2)(CN)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2N[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6,6]H){1|N<3>,1|O<1>,1|S<2>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]2)(CN){1|C<4>,2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2N[6])(H){1|C<2>,2|C<4>,3|C<3>,5|H<1>}	120.0360	0.000	1	120.0360	0.000	1	120.0360	0.000	1	118.9993	1.382	4	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C-2:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]N)(CN)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]H){1|C<4>,1|N<2>,2|N<3>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]N)(CN){1|C<4>,1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(H){1|C<2>,1|H<1>,5|C<3>}	119.7530	0.000	1	119.7530	0.000	1	119.7530	0.000	1	118.9993	1.382	4	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(N[6]C[6]H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OH){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	117.4330	0.000	1	117.4330	0.000	1	118.1040	0.900	2	118.9993	1.382	4	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OH){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	118.7750	0.000	1	118.7750	0.000	1	118.1040	0.900	2	118.9993	1.382	4	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6a]C[6])(C[6a]C[6a]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]F)(CHO)	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6a]C[6])(C[6a]C[6a]C){1|C<4>,1|F<1>,1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]F)(CHO){1|H<1>,1|O<2>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]O){1|Cl<1>,1|N<2>,1|O<2>,3|H<1>,4|C<3>}	123.3000	0.000	1	123.3000	0.000	1	123.3000	0.000	1	123.3000	0.000	1	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(CCO)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(CCO){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H){1|H<1>,4|C<3>}	121.9590	0.000	1	121.9590	0.000	1	121.9590	0.000	1	120.6385	3.487	2	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])2(C[6a]C[6a]2)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)	C[6,6a](C[6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]H){1|H<1>,1|N<3>,3|C<3>,5|C<4>}	C[6a](C[6,6a]C[6,6a]N[6])2(C[6a]C[6a]2){3|C<3>,4|C<4>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H){1|C<4>,2|H<1>,3|C<3>}	119.3180	0.000	1	119.3180	0.000	1	119.3180	0.000	1	120.6385	3.487	2	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]N[6])(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(N[6]C[6]2)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]N[6])(N[6]C[6]C){1|N<3>,1|O<1>,2|H<1>,4|C<4>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(N[6]C[6]2){1|N<2>,1|N<3>,4|C<4>,5|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3){1|C<3>,1|N<2>,2|H<1>,2|N<3>}	124.3410	0.000	1	124.3410	0.000	1	124.3410	0.000	1	124.3410	0.000	1	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(CH3)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]C){2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(CH3){1|H<1>,1|O<2>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|C<4>,1|O<2>,3|H<1>,6|C<3>}	122.1690	0.000	1	122.1690	0.000	1	121.1713	0.758	3	121.1713	0.758	3	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]C){2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(CCCH){1|H<1>,1|S<2>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|C<4>,1|S<2>,3|H<1>,6|C<3>}	120.7820	0.000	1	120.7820	0.000	1	121.1713	0.758	3	121.1713	0.758	3	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(CH3)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]C){2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(CH3){1|H<1>,1|S<2>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|C<4>,1|S<2>,3|H<1>,6|C<3>}	120.5630	0.000	1	120.5630	0.000	1	121.1713	0.758	3	121.1713	0.758	3	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6a]C[6])(C[6a]C[6a]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]N[6a])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6a]C[6])(C[6a]C[6a]C){1|C<4>,1|N<2>,2|C<3>,6|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]N[6a])(C[6]C[6]HH){2|H<1>,3|C<4>,4|C<3>}	119.7190	0.403	2	119.7190	0.162	2	119.7190	0.162	2	119.7190	0.162	2	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(CC[6a]2H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(CC[6a]2H){1|C<3>,1|H<1>,3|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	118.6650	0.000	1	118.6650	0.000	1	118.6650	0.000	1	118.6650	0.000	1	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6,6]-4:S-4:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(N[6]C[6,6]S)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(CH3)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(N[6]C[6,6]S){1|C<3>,1|S<4>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|S<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(SC[6a]OO){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	120.6560	0.000	1	120.6560	0.000	1	120.6560	0.000	1	119.4240	2.052	4	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6,6a]H)(CCHH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(N[6]C[6]C){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6,6a]H)(CCHH){1|C<3>,4|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH){2|C<3>,2|C<4>,2|H<1>}	118.5300	0.000	1	118.5300	0.000	1	118.2050	0.211	2	119.4240	2.052	4	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(CCHH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]C){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(CCHH){1|C<3>,4|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH){2|C<3>,2|C<4>,2|H<1>}	117.8800	0.000	1	117.8800	0.000	1	118.2050	0.211	2	119.4240	2.052	4	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6]-4:P-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]P)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(CH3)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(PC[6a]2Ir)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]P){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,1|P<4>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(PC[6a]2Ir){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	120.6300	0.000	1	120.6300	0.000	1	120.6300	0.000	1	119.4240	2.052	4	121.0983	2.925	489	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a,6a]-3:C[6a]-3:O[6]-2:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6,6a]C[6,6a,6a]O[6])(C[6a]C[6a]F)(N[6]C[6]2)	C[6,6a](C[6,6a,6a]C[6a,6a]N[6,6a])(C[6a]C[6a]N[6])(O[6]C[6])	N[6](C[6a]C[6,6a]C[6a])(C[6]C[6]HH)2	C[6a](C[6,6a]C[6,6a,6a]O[6])(C[6a]C[6a]F)(N[6]C[6]2){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	C[6,6a](C[6,6a,6a]C[6a,6a]N[6,6a])(C[6a]C[6a]N[6])(O[6]C[6]){1|F<1>,1|N<3>,2|C<4>,2|H<1>,3|C<3>}	N[6](C[6a]C[6,6a]C[6a])(C[6]C[6]HH)2{1|F<1>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	119.3320	0.000	1	121.7643	16.775	4	121.7643	16.775	4	120.8886	16.415	5	120.8105	8.396	10	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a,6a]-3:C[6a]-3:O[6]-2:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6,6a]C[6,6a,6a]O[6])(C[6a]C[6a]F)(N[6]C[6]2)	C[6,6a](C[6,6a,6a]C[6a,6a]N[6,6a])(C[6a]C[6a]N[6])(O[6]C[6])	N[6](C[6a]C[6,6a]C[6a])(C[6]C[6]HH)2	C[6a](C[6,6a]C[6,6a,6a]O[6])(C[6a]C[6a]F)(N[6]C[6]2){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	C[6,6a](C[6,6a,6a]C[6a,6a]N[6,6a])(C[6a]C[6a]N[6])(O[6]C[6]){1|F<1>,2|H<1>,3|C<3>,3|C<4>}	N[6](C[6a]C[6,6a]C[6a])(C[6]C[6]HH)2{1|F<1>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	121.2375	5.631	2	121.7643	16.775	4	121.7643	16.775	4	120.8886	16.415	5	120.8105	8.396	10	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a,6a]-3:C[6a]-3:O[6]-2:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6,6a]C[6,6a,6a]O[6])(C[6a]C[6a]F)(N[6]C[6]2)	C[6,6a](C[6,6a,6a]C[6a,6a]N[6,6a])(C[6a]C[6a]N[6])(O[6]C[6])	N[6](C[6a]C[6,6a]C[6a])(C[6]C[6]HH)2	C[6a](C[6,6a]C[6,6a,6a]O[6])(C[6a]C[6a]F)(N[6]C[6]2){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	C[6,6a](C[6,6a,6a]C[6a,6a]N[6,6a])(C[6a]C[6a]N[6])(O[6]C[6]){1|F<1>,2|H<1>,3|C<3>,3|C<4>}	N[6](C[6a]C[6,6a]C[6a])(C[6]C[6]HH)2{1|F<1>,1|N<4>,1|O<2>,2|C<3>,4|H<1>}	125.2500	0.000	1	121.7643	16.775	4	121.7643	16.775	4	120.8886	16.415	5	120.8105	8.396	10	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(N[6]C[6]2)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]N[6])(O[6]C[6])	N[6](C[6a]C[6,6a]C[6a])(C[6]C[6]HH)2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]N[6])(O[6]C[6]){1|C<3>,3|C<4>,4|H<1>}	N[6](C[6a]C[6,6a]C[6a])(C[6]C[6]HH)2{1|N<4>,1|O<2>,2|C<3>,5|H<1>}	117.3860	0.000	1	117.3860	0.000	1	117.3860	0.000	1	120.8886	16.415	5	120.8105	8.396	10	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H)(N[6]C[6]2)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]N[6])	N[6](C[6a]C[6,6a]C[6a])(C[6]C[6]HH)2	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H)(N[6]C[6]2){1|N<3>,2|C<4>,3|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]N[6]){3|C<4>,3|H<1>,4|C<3>}	N[6](C[6a]C[6,6a]C[6a])(C[6]C[6]HH)2{1|C<4>,3|C<3>,5|H<1>}	119.4840	0.000	1	119.4840	0.000	1	119.4390	0.004	2	120.7324	2.461	5	120.8105	8.396	10	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H)(N[6]C[6]2)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]N[6])	N[6](C[6a]C[6,6a]C[6a])(C[6]C[6]HH)2	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H)(N[6]C[6]2){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]N[6]){3|C<3>,3|C<4>,3|H<1>}	N[6](C[6a]C[6,6a]C[6a])(C[6]C[6]HH)2{1|O<2>,3|C<3>,5|H<1>}	119.3940	0.000	1	119.3940	0.000	1	119.4390	0.004	2	120.7324	2.461	5	120.8105	8.396	10	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(N[6]C[6]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N[6])(C[6]C[6,6a]O)	N[6](C[6a]C[6,6a]C[6a])(C[6]C[6]HH)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(N[6]C[6]2){1|O<1>,2|C<4>,3|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N[6])(C[6]C[6,6a]O){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	N[6](C[6a]C[6,6a]C[6a])(C[6]C[6]HH)2{1|C<4>,3|C<3>,5|H<1>}	122.4335	0.203	2	122.4335	0.041	2	122.4335	0.041	2	120.7324	2.461	5	120.8105	8.396	10	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(N[6]C[6]2)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]N[6])(N[6]C[6]C)	N[6](C[6a]C[6,6a]C[6a])(C[6]C[6]HH)2	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(N[6]C[6]2){1|N<2>,1|N<3>,4|C<4>,5|H<1>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]N[6])(N[6]C[6]C){1|N<3>,1|O<1>,2|H<1>,4|C<4>}	N[6](C[6a]C[6,6a]C[6a])(C[6]C[6]HH)2{1|C<3>,1|O<1>,1|O<2>,2|N<3>,4|H<1>}	119.9170	0.000	1	119.9170	0.000	1	119.9170	0.000	1	120.7324	2.461	5	120.8105	8.396	10	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	N[6,6]	3:3:3:	3:3:3:	4:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6,6]-3:	C[6a]-3:C[6a,6a]-3:C[6a]-3:	C[3x6]-4:C[6a]-3:N[6,6]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(N[6,6]C[3x6]N[6,6])	C[6a,6a](C[6a]C[6a,6a]N[6,6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[6,6](C[3x6]C[6,6]2H)(C[6a]C[6a,6a]2)(N[6,6]C[3x6]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(N[6,6]C[3x6]N[6,6]){3|H<1>,4|C<4>,5|C<3>}	C[6a,6a](C[6a]C[6a,6a]N[6,6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	N[6,6](C[3x6]C[6,6]2H)(C[6a]C[6a,6a]2)(N[6,6]C[3x6]C){2|C<4>,4|C<3>,5|H<1>}	118.8920	4.496	2	118.8920	20.212	2	118.8920	20.212	2	118.8920	20.212	2	118.8920	20.212	2	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	N[6]	3:2:3:	3:3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:N[6]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(N[6]C[6,6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]2)(C[6a]N[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(N[6]C[6,6a]2){1|H<1>,8|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]2)(C[6a]N[6a]N[6])(C[6a]C[6a]H){1|H<1>,6|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a,6a]N[6a]){1|O<2>,2|H<1>,7|C<3>}	118.2060	0.000	1	118.2060	0.000	1	118.2060	0.000	1	118.2060	0.000	1	119.7217	4.757	32	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	N[6]	3:2:3:	3:3:3:	3:4:4:	C[6a,6a]-3:N[6a]-2:N[6]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(N[6]C[6]2)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]N[6a]N[6])(C[6a]C[6a]C)	N[6](C[6a]C[6a,6a]N[6a])(C[6]C[6]HH)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(N[6]C[6]2){1|C<2>,3|C<3>,3|C<4>,4|H<1>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]N[6a]N[6])(C[6a]C[6a]C){1|C<2>,2|C<3>,2|C<4>,2|H<1>}	N[6](C[6a]C[6a,6a]N[6a])(C[6]C[6]HH)2{1|C<4>,3|C<3>,4|H<1>}	120.5905	0.077	2	120.5905	0.006	2	121.1107	0.515	6	121.1510	0.440	7	119.7217	4.757	32	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	N[6]	3:2:3:	3:3:3:	3:4:4:	C[6a,6a]-3:N[6a]-2:N[6]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(N[6]C[6]2)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]N[6a]N[6])(C[6a]C[6a]O)	N[6](C[6a]C[6a,6a]N[6a])(C[6]C[6]HH)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(N[6]C[6]2){1|O<2>,3|C<3>,3|C<4>,4|H<1>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]N[6a]N[6])(C[6a]C[6a]O){1|C<2>,1|H<1>,2|C<4>,3|C<3>}	N[6](C[6a]C[6a,6a]N[6a])(C[6]C[6]HH)2{1|C<4>,3|C<3>,4|H<1>}	121.5800	0.151	2	121.5800	0.023	2	121.1107	0.515	6	121.1510	0.440	7	119.7217	4.757	32	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	N[6]	3:2:3:	3:3:3:	3:4:4:	C[6a,6a]-3:N[6a]-2:N[6]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(N[6]C[6]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(C[6a]N[6a]N[6])	N[6](C[6a]C[6a,6a]N[6a])(C[6]C[6]HH)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(N[6]C[6]2){1|N<2>,2|C<4>,3|C<3>,5|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(C[6a]N[6a]N[6]){1|H<1>,2|C<4>,3|C<3>}	N[6](C[6a]C[6a,6a]N[6a])(C[6]C[6]HH)2{1|O<2>,3|C<3>,4|H<1>}	120.2790	0.000	1	120.2790	0.000	1	121.1107	0.515	6	121.1510	0.440	7	119.7217	4.757	32	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	N[6]	3:2:3:	3:3:3:	3:4:4:	C[6a,6a]-3:N[6a]-2:N[6]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(N[6]C[6]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[6a]N[6])(C[6a]C[6a]H)	N[6](C[6a]C[6a,6a]N[6a])(C[6]C[6]HH)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(N[6]C[6]2){1|N<2>,2|C<3>,2|C<4>,6|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[6a]N[6])(C[6a]C[6a]H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	N[6](C[6a]C[6a,6a]N[6a])(C[6]C[6]HH)2{1|O<2>,3|C<3>,4|H<1>}	122.0440	0.000	1	122.0440	0.000	1	121.1107	0.515	6	121.1510	0.440	7	119.7217	4.757	32	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	N[6]	3:2:3:	3:3:3:	3:4:4:	C[6a,6a]-3:N[6a]-2:N[6]-3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(N[6a]C[6a])(N[6]C[6]2)	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]N[6a]2)(C[6a]N[6a]N[6])	N[6](C[6a]C[6a,6a]N[6a])(C[6]C[6]HH)2	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(N[6a]C[6a])(N[6]C[6]2){2|C<3>,2|C<4>,2|N<2>,5|H<1>}	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]N[6a]2)(C[6a]N[6a]N[6]){1|H<1>,2|C<4>,4|C<3>}	N[6](C[6a]C[6a,6a]N[6a])(C[6]C[6]HH)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	121.3930	0.000	1	121.3930	0.000	1	121.3930	0.000	1	121.1510	0.440	7	119.7217	4.757	32	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	N[6]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:N[6]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6]C[6,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6]C[6,6a]2)(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[6])(C[6a]C[6a]H){4|C<3>,4|H<1>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a]){1|N<3>,2|H<1>,8|C<3>}	120.2360	0.000	1	120.2360	0.000	1	120.2360	0.000	1	120.2360	0.000	1	119.7217	4.757	32	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[5a,6a]-3:C[6a,6a]-3:N[6]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[6]C[6]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5a,6a]N[6])(C[6a]C[6a]H)	N[6](C[6a]C[5a,6a]C[6a,6a])(C[6]C[6]HH)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[6]C[6]2){1|N<2>,2|C<4>,4|C<3>,6|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5a,6a]N[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	N[6](C[6a]C[5a,6a]C[6a,6a])(C[6]C[6]HH)2{2|N<3>,3|C<3>,4|H<1>}	125.7560	0.000	1	125.7560	0.000	1	125.7560	0.000	1	119.3302	5.656	23	119.7217	4.757	32	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6a,6a]-3:C[6a,6a]-3:N[6]-3:	C[6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(N[6]C[6]2)	C[6a,6a](C[6a]C[6a,6a]N[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[6](C[6a]C[6a,6a]2)(C[6]C[6]HH)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(N[6]C[6]2){2|C<4>,5|C<3>,6|H<1>}	C[6a,6a](C[6a]C[6a,6a]N[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	N[6](C[6a]C[6a,6a]2)(C[6]C[6]HH)2{1|C<4>,4|C<3>,4|H<1>}	120.1285	4.595	2	120.1285	21.119	2	120.1285	21.119	2	119.3302	5.656	23	119.7217	4.757	32	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6a,6a]-3:C[6a]-3:N[6]-3:	C[3x6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6,6a]H)(N[6]C[6]2)	C[6a,6a](C[3x6a]C[6,6a,6a]C[6a,6a])(C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]N[6])	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6,6a]H)(N[6]C[6]2){2|C<4>,4|H<1>,5|C<3>}	C[6a,6a](C[3x6a]C[6,6a,6a]C[6a,6a])(C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]N[6]){2|C<4>,2|H<1>,6|C<3>}	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2{1|O<2>,3|C<3>,5|H<1>}	120.9810	0.386	2	120.9810	0.149	2	120.9810	0.149	2	119.3302	5.656	23	119.7217	4.757	32	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6a,6a]-3:C[6a]-3:N[6]-3:	C[6,6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]2)	C[6a,6a](C[6,6a,6a]C[6,6a]2)(C[6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]2){2|C<4>,3|C<3>,6|H<1>}	C[6a,6a](C[6,6a,6a]C[6,6a]2)(C[6a]C[6a]N[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2{1|C<4>,3|C<3>,5|H<1>}	118.2834	0.780	5	118.2044	0.425	7	118.2044	0.425	7	119.3302	5.656	23	119.7217	4.757	32	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6a,6a]-3:C[6a]-3:N[6]-3:	C[6,6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]2)	C[6a,6a](C[6,6a,6a]C[6,6a]2)(C[6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]2){2|C<4>,3|C<3>,6|H<1>}	C[6a,6a](C[6,6a,6a]C[6,6a]2)(C[6a]C[6a]N[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2{1|N<3>,3|C<3>,5|H<1>}	118.0070	0.092	2	118.2044	0.425	7	118.2044	0.425	7	119.3302	5.656	23	119.7217	4.757	32	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6a,6a]-3:C[6a]-3:N[6]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N[6])	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6]C[6]2){1|N<2>,2|C<4>,3|C<3>,5|H<1>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N[6]){2|C<4>,3|H<1>,4|C<3>}	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2{1|O<2>,3|C<3>,5|H<1>}	119.4630	0.000	1	119.4630	0.000	1	119.4630	0.000	1	119.3302	5.656	23	119.7217	4.757	32	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6a,6a]-3:C[6a]-3:N[6]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]H)(N[6]C[6]2)	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]H)(N[6]C[6]2){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]N[6])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|C<4>,3|H<1>}	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2{1|N<3>,3|C<3>,5|H<1>}	117.6630	0.000	1	117.6630	0.000	1	118.9725	4.715	10	119.3302	5.656	23	119.7217	4.757	32	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6a,6a]-3:C[6a]-3:N[6]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]2){1|N<2>,2|C<4>,4|C<3>,6|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N[6])(C[6a]C[6a]H){1|H<1>,3|C<3>,3|C<4>}	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2{1|C<4>,4|C<3>,4|H<1>}	117.2590	0.000	1	117.2590	0.000	1	118.9725	4.715	10	119.3302	5.656	23	119.7217	4.757	32	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6a,6a]-3:C[6a]-3:N[6]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]2)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H)(C[6a]C[6a]N[6])	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]2){2|C<4>,3|C<3>,6|H<1>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H)(C[6a]C[6a]N[6]){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2{1|C<4>,3|C<3>,5|H<1>}	117.0830	0.185	2	117.3257	0.194	3	118.9725	4.715	10	119.3302	5.656	23	119.7217	4.757	32	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6a,6a]-3:C[6a]-3:N[6]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]2)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H)(C[6a]C[6a]N[6])	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]2){2|C<4>,3|C<3>,6|H<1>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H)(C[6a]C[6a]N[6]){2|C<4>,3|C<3>,3|H<1>}	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2{1|C<4>,3|C<3>,5|H<1>}	117.8110	0.000	1	117.3257	0.194	3	118.9725	4.715	10	119.3302	5.656	23	119.7217	4.757	32	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6a,6a]-3:C[6a]-3:N[6]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]2)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[6])(C[6a]C[6a]N)	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]2){1|N<3>,2|C<4>,3|C<3>,5|H<1>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[6])(C[6a]C[6a]N){2|C<3>,2|C<4>,4|H<1>}	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2{1|O<2>,3|C<3>,5|H<1>}	119.7970	0.000	1	119.7970	0.000	1	118.9725	4.715	10	119.3302	5.656	23	119.7217	4.757	32	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6a,6a]-3:C[6a]-3:N[6]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]2){1|N<2>,2|C<3>,2|C<4>,6|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2{1|N<3>,3|C<3>,5|H<1>}	119.6137	0.268	3	119.6137	0.072	3	118.9725	4.715	10	119.3302	5.656	23	119.7217	4.757	32	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6a,6a]-3:C[6a]-3:N[6]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(N[6]C[6]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(N[6]C[6]2){1|N<2>,2|C<3>,2|C<4>,6|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2{1|N<3>,1|O<2>,3|C<3>,4|H<1>}	124.1880	0.000	1	124.1880	0.000	1	118.9725	4.715	10	119.3302	5.656	23	119.7217	4.757	32	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6,6]	3:3:2:	3:3:1:	3:4:2:	N[6,6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[3x6]-4:O[6,6]-2:	C[6a](N[6,6]C[3x6]O[6,6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6,6]N[6a])(C[6a]C[6a]H)(H)	N[6,6](C[6a]C[6a]N[6a])(C[3x6]C[6,6]2H)(O[6,6]C[3x6])	C[6a](N[6,6]C[3x6]O[6,6])(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]N[6,6]N[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	N[6,6](C[6a]C[6a]N[6a])(C[3x6]C[6,6]2H)(O[6,6]C[3x6]){1|C<4>,4|C<3>,4|H<1>}	121.1090	0.075	4	121.1090	0.006	4	121.1090	0.006	4	121.1090	0.006	4	120.8870	4.650	46	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6,6]	3:3:3:	3:3:1:	4:2:3:	N[6,6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[3x6]-4:O[6,6]-2:C[6a]-3:	C[6a](N[6,6]C[3x6]O[6,6])(C[6a]C[6a]H)2	C[6a](C[6a]N[6,6]C[6a])(C[6a]C[6a]H)(H)	N[6,6](C[3x6]C[6,6]2H)(O[6,6]C[3x6])(C[6a]C[6a]2)	C[6a](N[6,6]C[3x6]O[6,6])(C[6a]C[6a]H)2{1|C<3>,3|C<4>,3|H<1>}	C[6a](C[6a]N[6,6]C[6a])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<2>}	N[6,6](C[3x6]C[6,6]2H)(O[6,6]C[3x6])(C[6a]C[6a]2){3|C<3>,3|C<4>,5|H<1>}	120.2933	3.524	8	120.2933	12.416	8	120.2933	12.416	8	120.2933	12.416	8	120.8870	4.650	46	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6,6]	3:3:3:	3:3:1:	4:3:3:	N[6,6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[3x6]-4:N[6,6]-3:C[6a]-3:	C[6a](N[6,6]C[3x6]N[6,6])(C[6a]C[6a]H)2	C[6a](C[6a]N[6,6]C[6a])(C[6a]C[6a]H)(H)	N[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(C[6a]C[6a]2)	C[6a](N[6,6]C[3x6]N[6,6])(C[6a]C[6a]H)2{1|C<3>,3|H<1>,4|C<4>}	C[6a](C[6a]N[6,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	N[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(C[6a]C[6a]2){2|C<3>,2|C<4>,7|H<1>}	120.5445	1.848	4	119.8751	2.971	8	119.8751	2.971	8	120.4256	4.372	14	120.8870	4.650	46	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6,6]	3:3:3:	3:3:1:	4:3:3:	N[6,6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[3x6]-4:N[6,6]-3:C[6a]-3:	C[6a](N[6,6]C[3x6]N[6,6])(C[6a]C[6a]H)2	C[6a](C[6a]N[6,6]C[6a])(C[6a]C[6a]H)(H)	N[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(C[6a]C[6a]2)	C[6a](N[6,6]C[3x6]N[6,6])(C[6a]C[6a]H)2{1|C<3>,3|H<1>,4|C<4>}	C[6a](C[6a]N[6,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	N[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(C[6a]C[6a]2){2|C<3>,2|C<4>,7|H<1>}	119.2057	1.523	4	119.8751	2.971	8	119.8751	2.971	8	120.4256	4.372	14	120.8870	4.650	46	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6,6]	3:3:3:	3:3:1:	4:3:3:	N[6,6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	Si[6,6]-4:B[3x6]-3:C[6a]-3:	C[6a](N[6,6]Si[6,6]B[3x6])(C[6a]C[6a]H)2	C[6a](C[6a]N[6,6]C[6a])(C[6a]C[6a]H)(H)	N[6,6](Si[6,6]C[3x6]CC)(B[3x6]N[6,6]2)(C[6a]C[6a]2)	C[6a](N[6,6]Si[6,6]B[3x6])(C[6a]C[6a]H)2{1|C<3>,2|H<1>,2|N<3>,3|C<4>}	C[6a](C[6a]N[6,6]C[6a])(C[6a]C[6a]H)(H){1|Si<4>,1|B<3>,1|C<3>,1|C<4>,1|H<1>}	N[6,6](Si[6,6]C[3x6]CC)(B[3x6]N[6,6]2)(C[6a]C[6a]2){2|Si<4>,3|H<1>,4|C<3>}	121.1595	2.465	6	121.1595	6.078	6	121.1595	6.078	6	120.4256	4.372	14	120.8870	4.650	46	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6,6]	3:3:3:	3:3:1:	4:4:3:	N[6,6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[3x6]-4:C[6,6]-4:C[6a]-3:	C[6a](N[6,6]C[3x6]C[6,6])(C[6a]C[6a]H)2	C[6a](C[6a]N[6,6]C[6a])(C[6a]C[6a]H)(H)	N[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]C[6a]H)(C[6a]C[6a]2)	C[6a](N[6,6]C[3x6]C[6,6])(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]N[6,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	N[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]C[6a]H)(C[6a]C[6a]2){2|C<4>,4|H<1>,6|C<3>}	122.1330	1.833	2	122.1330	3.359	2	122.1330	3.359	2	121.5954	2.636	15	120.8870	4.650	46	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6,6]	3:3:3:	3:3:1:	4:4:3:	N[6,6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[4,6,6]-4:C[4,6,6]-4:C[6a]-3:	C[6a](N[6,6]C[4,6,6]2)(C[6a]C[6a]H)2	C[6a](C[6a]N[6,6]C[6a])(C[6a]C[6a]H)(H)	N[6,6](C[4,6,6]C[4,6,6]2H)2(C[6a]C[6a]2)	C[6a](N[6,6]C[4,6,6]2)(C[6a]C[6a]H)2{1|C<3>,4|C<4>,4|H<1>}	C[6a](C[6a]N[6,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	N[6,6](C[4,6,6]C[4,6,6]2H)2(C[6a]C[6a]2){2|H<1>,4|C<4>,6|C<3>}	120.8325	2.111	2	120.8325	4.455	2	120.8325	4.455	2	121.5954	2.636	15	120.8870	4.650	46	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6,6]	3:3:3:	3:3:1:	4:4:3:	N[6,6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6]-4:C[3x6]-4:C[6a]-3:	C[6a](N[6,6]C[3x6]C[6,6])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]N[6,6]C[6a])(C[6a]C[6a]H)(H)	N[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2H)(C[6a]C[6a]2)	C[6a](N[6,6]C[3x6]C[6,6])(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<3>,3|C<4>,4|H<1>}	C[6a](C[6a]N[6,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,3|C<4>}	N[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2H)(C[6a]C[6a]2){1|C<4>,1|O<2>,5|C<3>,6|H<1>}	122.0760	0.000	1	122.0760	0.000	1	121.5974	2.966	7	121.5954	2.636	15	120.8870	4.650	46	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6,6]	3:3:3:	3:3:1:	4:4:3:	N[6,6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6]-4:C[3x6]-4:C[6a]-3:	C[6a](N[6,6]C[3x6]C[6,6])(C[6a]C[6a]H)2	C[6a](C[6a]N[6,6]C[6a])(C[6a]C[6a]H)(H)	N[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2H)(C[6a]C[6a]2)	C[6a](N[6,6]C[3x6]C[6,6])(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]N[6,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	N[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2H)(C[6a]C[6a]2){1|C<4>,5|H<1>,6|C<3>}	121.5177	1.872	6	121.5177	3.506	6	121.5974	2.966	7	121.5954	2.636	15	120.8870	4.650	46	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6,6]	3:3:3:	3:3:1:	4:4:3:	N[6,6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6a]-3:	C[6a](N[6,6]C[6,6]2)(C[6a]C[6a]H)2	C[6a](C[6a]N[6,6]C[6a])(C[6a]C[6a]H)(H)	N[6,6](C[6,6]C[6]2H)2(C[6a]C[6a]2)	C[6a](N[6,6]C[6,6]2)(C[6a]C[6a]H)2{1|C<3>,4|C<4>,4|H<1>}	C[6a](C[6a]N[6,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	N[6,6](C[6,6]C[6]2H)2(C[6a]C[6a]2){10|H<1>,1|C<4>,3|C<3>}	121.4895	2.607	2	121.4895	6.797	2	121.7045	3.169	4	121.5954	2.636	15	120.8870	4.650	46	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6,6]	3:3:3:	3:3:1:	4:4:3:	N[6,6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6a]-3:	C[6a](N[6,6]C[6,6]2)(C[6a]C[6a]H)2	C[6a](C[6a]N[6,6]C[6a])(C[6a]C[6a]H)(H)	N[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6]N[6]H)(C[6a]C[6a]2)	C[6a](N[6,6]C[6,6]2)(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,2|C<4>,4|H<1>}	C[6a](C[6a]N[6,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	N[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6]N[6]H)(C[6a]C[6a]2){1|C<4>,4|C<3>,6|H<1>}	121.9195	1.589	2	121.9195	2.525	2	121.7045	3.169	4	121.5954	2.636	15	120.8870	4.650	46	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6,6]	3:3:3:	3:3:2:	4:4:3:	N[6,6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6,6]-4:C[3x6]-4:C[6a]-3:	C[6a](N[6,6]C[3x6]C[6,6])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]N[6,6]C[6a])(C[6a]C[6a]H)(OC[6a])	N[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2H)(C[6a]C[6a]2)	C[6a](N[6,6]C[3x6]C[6,6])(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<3>,3|C<4>,4|H<1>}	C[6a](C[6a]N[6,6]C[6a])(C[6a]C[6a]H)(OC[6a]){1|C<3>,1|H<1>,3|C<4>}	N[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2H)(C[6a]C[6a]2){1|C<4>,1|O<2>,5|C<3>,6|H<1>}	122.7570	0.000	1	122.7570	0.000	1	122.7570	0.000	1	122.7570	0.000	1	120.8870	4.650	46	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6,6]	3:3:3:	3:3:4:	4:4:3:	N[6,6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6,6]-4:C[3x6]-4:C[6a]-3:	C[6a](N[6,6]C[3x6]C[6,6])(C[6a]C[6a]C)2	C[6a](C[6a]N[6,6]C[6a])(C[6a]C[6a]H)(CCCH)	N[6,6](C[6,6]B[6,6]C[3x6]H)(C[3x6]C[6,6]2C)(C[6a]C[6a]2)	C[6a](N[6,6]C[3x6]C[6,6])(C[6a]C[6a]C)2{1|B<3>,1|C<3>,3|H<1>,4|C<4>}	C[6a](C[6a]N[6,6]C[6a])(C[6a]C[6a]H)(CCCH){1|C<3>,1|H<1>,3|C<4>}	N[6,6](C[6,6]B[6,6]C[3x6]H)(C[3x6]C[6,6]2C)(C[6a]C[6a]2){2|C<3>,4|H<1>,7|C<4>}	120.5420	1.608	2	120.5420	2.586	2	120.3440	3.457	4	120.3440	3.457	4	120.8870	4.650	46	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6,6]	3:3:3:	3:3:4:	4:4:3:	N[6,6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6,6]-4:C[3x6]-4:C[6a]-3:	C[6a](N[6,6]C[3x6]C[6,6])(C[6a]C[6a]C)2	C[6a](C[6a]N[6,6]C[6a])(C[6a]C[6a]H)(CCCH)	N[6,6](C[6,6]C[3x6]B[5a]H)(C[3x6]C[6,6]2C)(C[6a]C[6a]2)	C[6a](N[6,6]C[3x6]C[6,6])(C[6a]C[6a]C)2{1|B<3>,1|C<3>,3|H<1>,4|C<4>}	C[6a](C[6a]N[6,6]C[6a])(C[6a]C[6a]H)(CCCH){1|C<3>,1|H<1>,3|C<4>}	N[6,6](C[6,6]C[3x6]B[5a]H)(C[3x6]C[6,6]2C)(C[6a]C[6a]2){2|C<3>,2|O<2>,4|H<1>,5|C<4>}	120.1460	2.762	2	120.1460	7.628	2	120.3440	3.457	4	120.3440	3.457	4	120.8870	4.650	46	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	2:3:3:	3:2:1:	3:4:4:	N[6a]-2:C[6a]-3:N[6]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(N[6]C[6]2)	C[6a](C[6a]N[6a]N[6])(N[6a]C[6a,6a])(H)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(N[6]C[6]2){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]N[6a]N[6])(N[6a]C[6a,6a])(H){2|C<3>,2|C<4>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|C<3>,1|N<2>,1|O<2>,5|H<1>}	121.6530	0.000	1	121.6530	0.000	1	121.6530	0.000	1	121.6530	0.000	1	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	2:3:3:	3:3:1:	3:3:3:	N[6a]-2:N[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(N[6]C[6,6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N[6])(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(N[6]C[6,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N[6])(H){4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]N[6a]){1|C<4>,3|H<1>,6|C<3>}	118.4510	0.000	1	118.4510	0.000	1	118.4510	0.000	1	118.4510	0.000	1	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	2:3:3:	3:3:1:	3:4:4:	N[6a]-2:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]F)(N[6]C[6]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N[6])(F)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]F)(N[6]C[6]2){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N[6])(F){2|C<3>,2|C<4>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|F<1>,1|N<4>,2|C<3>,4|H<1>}	123.7790	0.000	1	123.7790	0.000	1	123.7790	0.000	1	122.0062	1.695	4	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	2:3:3:	3:3:1:	3:4:4:	N[6a]-2:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a,6a]Cl)(C[6a]N[6a]N[6])(H)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(N[6]C[6]2){1|Cl<1>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a,6a]Cl)(C[6a]N[6a]N[6])(H){2|C<3>,2|C<4>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|N<3>,2|C<3>,5|H<1>}	121.1110	0.000	1	121.1110	0.000	1	121.4153	0.447	3	122.0062	1.695	4	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	2:3:3:	3:3:1:	3:4:4:	N[6a]-2:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]N[6a,6a]O)(C[6a]N[6a]N[6])(H)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	C[6a](C[6a]N[6a,6a]O)(C[6a]N[6a]N[6])(H){2|C<3>,2|C<4>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|O<2>,2|C<3>,5|H<1>}	122.1820	0.000	1	122.1820	0.000	1	121.4153	0.447	3	122.0062	1.695	4	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	2:3:3:	3:3:1:	3:4:4:	N[6a]-2:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](N[6a]N[5a,6a])(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]N[6])(H)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6a](N[6a]N[5a,6a])(C[6a]C[6a]H)(N[6]C[6]2){2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]N[6])(H){1|N<2>,1|N<3>,2|C<4>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|C<3>,1|C<4>,1|N<3>,5|H<1>}	120.9530	0.000	1	120.9530	0.000	1	121.4153	0.447	3	122.0062	1.695	4	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:2:3:	3:2:1:	3:4:4:	C[6a]-3:N[6a]-2:N[6]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(N[6]C[6]2)	C[6a](C[6a]N[6a]N[6])(N[6a]C[6a])(H)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(N[6]C[6]2){1|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]N[6a]N[6])(N[6a]C[6a])(H){1|C<3>,1|H<1>,2|C<4>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|C<3>,1|N<2>,1|O<2>,5|H<1>}	121.7930	0.000	1	121.7930	0.000	1	121.7930	0.000	1	121.7930	0.000	1	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:2:3:	3:3:1:	3:4:4:	C[6a]-3:N[6a]-2:N[6]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[5,6a]H)(N[6a]C[6a])(N[6]C[6]2)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]N[6a]N[6])(H)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6a](C[6a]C[5,6a]H)(N[6a]C[6a])(N[6]C[6]2){1|C<3>,4|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]N[6a]N[6])(H){1|C<3>,1|O<2>,5|C<4>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|O<2>,2|C<3>,5|H<1>}	121.3090	0.000	1	121.3090	0.000	1	121.3090	0.000	1	121.8388	0.747	22	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:2:3:	3:3:1:	3:4:4:	C[6a]-3:N[6a]-2:N[6]-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(N[6]C[6]2)	C[6a](C[6a]N[6a]N[6])(C[6a]N[6a]C)(Br)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(N[6]C[6]2){1|N<2>,1|N<3>,3|C<4>,4|H<1>}	C[6a](C[6a]N[6a]N[6])(C[6a]N[6a]C)(Br){1|C<3>,2|C<4>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|Br<1>,1|O<2>,2|C<3>,4|H<1>}	123.5950	0.000	1	123.5950	0.000	1	123.5950	0.000	1	121.8388	0.747	22	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:2:3:	3:3:1:	3:4:4:	C[6a]-3:N[6a]-2:N[6]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(N[6]C[6]2)	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(Cl)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(Cl){1|C<3>,3|C<4>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|Cl<1>,1|C<4>,2|C<3>,4|H<1>}	120.6290	0.000	1	120.6290	0.000	1	120.6290	0.000	1	121.8388	0.747	22	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:2:3:	3:3:1:	3:4:4:	C[6a]-3:N[6a]-2:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[6]C[6]2)	C[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]N[6])(H)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[6]C[6]2){1|N<2>,1|N<3>,2|C<4>,5|H<1>}	C[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]N[6])(H){1|N<2>,2|C<3>,2|C<4>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|O<2>,2|C<3>,5|H<1>}	122.6490	0.000	1	122.6490	0.000	1	121.8379	0.603	19	121.8388	0.747	22	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:2:3:	3:3:1:	3:4:4:	C[6a]-3:N[6a]-2:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[6]C[6]2)	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]2)(H)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[6]C[6]2){2|C<3>,3|C<4>,4|H<1>}	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]2)(H){3|C<3>,3|C<4>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|N<3>,2|C<3>,5|H<1>}	121.1290	0.000	1	121.1456	0.676	5	121.8379	0.603	19	121.8388	0.747	22	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:2:3:	3:3:1:	3:4:4:	C[6a]-3:N[6a]-2:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[6]C[6]2)	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]2)(H)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[6]C[6]2){2|C<3>,3|C<4>,4|H<1>}	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]2)(H){3|C<3>,3|C<4>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|N<4>,2|C<3>,5|H<1>}	121.1497	0.949	4	121.1456	0.676	5	121.8379	0.603	19	121.8388	0.747	22	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:2:3:	3:3:1:	3:4:4:	C[6a]-3:N[6a]-2:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[6]C[6]2)	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|N<3>,2|C<3>,5|H<1>}	122.1140	0.397	4	122.0920	0.121	5	121.8379	0.603	19	121.8388	0.747	22	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:2:3:	3:3:1:	3:4:4:	C[6a]-3:N[6a]-2:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[6]C[6]2)	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[6]C[6]2){2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|N<3>,2|C<3>,5|H<1>}	122.0040	0.000	1	122.0920	0.121	5	121.8379	0.603	19	121.8388	0.747	22	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:2:3:	3:3:1:	3:4:4:	C[6a]-3:N[6a]-2:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[6]C[6]2)	C[6a](C[6a]N[6a]N[6])(C[6a]N[6a]Cl)(H)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[6]C[6]2){1|Cl<1>,1|N<2>,1|N<3>,2|C<4>,4|H<1>}	C[6a](C[6a]N[6a]N[6])(C[6a]N[6a]Cl)(H){1|C<3>,2|C<4>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|C<4>,2|C<3>,5|H<1>}	122.2310	0.000	1	121.9637	0.227	3	121.8379	0.603	19	121.8388	0.747	22	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:2:3:	3:3:1:	3:4:4:	C[6a]-3:N[6a]-2:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[6]C[6]2)	C[6a](C[6a]N[6a]N[6])(C[6a]N[6a]Cl)(H)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[6]C[6]2){1|Cl<1>,1|N<2>,1|N<3>,2|C<4>,4|H<1>}	C[6a](C[6a]N[6a]N[6])(C[6a]N[6a]Cl)(H){1|C<3>,2|C<4>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|O<2>,2|C<3>,5|H<1>}	121.8300	0.590	2	121.9637	0.227	3	121.8379	0.603	19	121.8388	0.747	22	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:2:3:	3:3:1:	3:4:4:	C[6a]-3:N[6a]-2:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[6]C[6]2)	C[6a](C[6a]N[6a]N[6])(C[6a]N[6a]O)(H)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[6]C[6]2){1|N<2>,1|N<3>,1|O<2>,2|C<4>,4|H<1>}	C[6a](C[6a]N[6a]N[6])(C[6a]N[6a]O)(H){1|C<3>,2|C<4>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|C<4>,2|C<3>,5|H<1>}	123.3890	0.000	1	123.3890	0.000	1	121.8379	0.603	19	121.8388	0.747	22	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:2:3:	3:3:1:	3:4:4:	C[6a]-3:N[6a]-2:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[6]C[6]2)	C[6a](C[6a]N[6a]N[6])2(H)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[6]C[6]2){1|N<2>,2|C<4>,2|N<3>,4|H<1>}	C[6a](C[6a]N[6a]N[6])2(H){1|C<3>,4|C<4>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|C<4>,2|C<3>,5|H<1>}	122.1670	0.000	1	122.1670	0.000	1	121.8379	0.603	19	121.8388	0.747	22	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:2:3:	3:3:1:	3:4:4:	C[6a]-3:N[6a]-2:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(N[6]C[6]2)	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]2)(H)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(N[6]C[6]2){2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|C<3>,1|N<3>,1|O<2>,5|H<1>}	120.7280	0.000	1	120.7280	0.000	1	121.8379	0.603	19	121.8388	0.747	22	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:2:3:	3:3:1:	3:4:4:	C[6a]-3:N[6a]-2:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(N[6]C[6]2)	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(N[6]C[6]2){1|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|N<2>,2|C<4>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|C<3>,1|N<2>,1|N<3>,5|H<1>}	122.0380	0.000	1	121.9540	0.014	2	121.8379	0.603	19	121.8388	0.747	22	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:2:3:	3:3:1:	3:4:4:	C[6a]-3:N[6a]-2:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(N[6]C[6]2)	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(N[6]C[6]2){1|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(H){1|N<2>,1|N<3>,2|C<4>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|C<3>,1|C<4>,1|N<2>,5|H<1>}	121.8700	0.000	1	121.9540	0.014	2	121.8379	0.603	19	121.8388	0.747	22	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:2:3:	3:3:2:	3:4:4:	C[6a]-3:N[6a]-2:N[6]-3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[6]C[6]2)	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(CN)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[6]C[6]2){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(CN){1|C<2>,1|C<3>,2|C<4>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|C<2>,1|O<2>,2|C<3>,4|H<1>}	123.4710	0.000	1	123.4710	0.000	1	123.4710	0.000	1	123.4710	0.000	1	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:2:3:	3:3:3:	3:4:4:	C[6a]-3:N[6a]-2:N[6]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[6]C[6]2)	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(COO)	N[6](C[6a]C[6a]N[6a])(C[6]C[6a]C[6]H)(C[6]C[6]HH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[6]C[6]2){2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(COO){1|C<3>,1|H<1>,2|C<4>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6a]C[6]H)(C[6]C[6]HH){1|N<4>,4|H<1>,5|C<3>}	120.3640	0.000	1	120.3640	0.000	1	120.8907	1.039	4	119.9370	3.005	7	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:2:3:	3:3:3:	3:4:4:	C[6a]-3:N[6a]-2:N[6]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[6]C[6]2)	C[6a](C[6a]N[6a]N[6])(C[6a]N[6a]Cl)(CHO)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[6]C[6]2){1|Cl<1>,1|N<2>,1|N<3>,2|C<4>,4|H<1>}	C[6a](C[6a]N[6a]N[6])(C[6a]N[6a]Cl)(CHO){1|C<3>,2|C<4>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|N<3>,3|C<3>,4|H<1>}	122.2510	0.000	1	122.2510	0.000	1	120.8907	1.039	4	119.9370	3.005	7	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:2:3:	3:3:3:	3:4:4:	C[6a]-3:N[6a]-2:N[6]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[6]C[6]2)	C[6a](C[6a]N[6a]N[6])(C[6a]N[6a]N)(CHN)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[6]C[6]2){1|N<2>,2|C<4>,2|N<3>,4|H<1>}	C[6a](C[6a]N[6a]N[6])(C[6a]N[6a]N)(CHN){1|C<3>,2|C<4>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|C<4>,3|C<3>,4|H<1>}	119.9080	0.000	1	119.9080	0.000	1	120.8907	1.039	4	119.9370	3.005	7	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:2:3:	3:3:3:	3:4:4:	C[6a]-3:N[6a]-2:N[6]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[6]C[6]2)	C[6a](C[6a]N[6a]N[6])2(CCH)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[6]C[6]2){1|N<2>,2|C<4>,2|N<3>,4|H<1>}	C[6a](C[6a]N[6a]N[6])2(CCH){1|C<3>,4|C<4>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|C<4>,3|C<3>,4|H<1>}	121.0400	0.000	1	121.0400	0.000	1	120.8907	1.039	4	119.9370	3.005	7	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:2:3:	3:3:3:	3:4:4:	C[6a]-3:N[6a]-2:N[6]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(N[6]C[6]2)	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]2)(C[6a]N[6a]S)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(N[6]C[6]2){1|N<2>,1|N<3>,1|S<2>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]2)(C[6a]N[6a]S){2|C<4>,2|H<1>,3|C<3>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|C<4>,3|C<3>,4|H<1>}	120.7010	0.000	1	120.7010	0.000	1	120.7010	0.000	1	119.9370	3.005	7	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:2:3:	3:3:3:	3:4:4:	C[6a]-3:N[6a]-2:N[6]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(N[6]C[6]2)	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(NCH)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(NCH){1|Br<1>,1|C<3>,2|C<4>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|N<3>,1|O<2>,2|C<3>,4|H<1>}	117.3250	0.000	1	117.6475	0.208	2	117.6475	0.208	2	119.9370	3.005	7	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:2:3:	3:3:3:	3:4:4:	C[6a]-3:N[6a]-2:N[6]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(N[6]C[6]2)	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(NCH)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,2|C<4>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|N<3>,1|O<2>,2|C<3>,4|H<1>}	117.9700	0.000	1	117.6475	0.208	2	117.6475	0.208	2	119.9370	3.005	7	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:2:3:	3:3:4:	3:4:4:	C[6a]-3:N[6a]-2:N[6]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[5,6a]C)(N[6a]C[6a])(N[6]C[6]2)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]N[6a]N[6])(CH3)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6a](C[6a]C[5,6a]C)(N[6a]C[6a])(N[6]C[6]2){1|Br<1>,1|C<3>,3|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]N[6a]N[6])(CH3){1|C<3>,2|H<1>,4|C<4>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	119.8910	0.000	1	119.8910	0.000	1	119.8910	0.000	1	118.7940	0.696	4	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:2:3:	3:3:4:	3:4:4:	C[6a]-3:N[6a]-2:N[6]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[6]C[6]2)	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(CC[6a]HH)	N[6](C[6a]C[6a]N[6a])(C[6]C[6a]C[6]H)(C[6]C[6]HH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[6]C[6]2){2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(CC[6a]HH){1|C<3>,1|H<1>,2|C<4>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6a]C[6]H)(C[6]C[6]HH){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	118.2730	0.000	1	118.4283	0.242	3	118.4283	0.242	3	118.7940	0.696	4	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:2:3:	3:3:4:	3:4:4:	C[6a]-3:N[6a]-2:N[6]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[6]C[6]2)	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(CC[6a]HH)	N[6](C[6a]C[6a]N[6a])(C[6]C[6a]C[6]H)(C[6]C[6]HH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[6]C[6]2){2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(CC[6a]HH){1|C<3>,1|H<1>,2|C<4>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6a]C[6]H)(C[6]C[6]HH){1|C<4>,1|N<4>,4|C<3>,4|H<1>}	118.5060	0.669	2	118.4283	0.242	3	118.4283	0.242	3	118.7940	0.696	4	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:3:	N[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]N[6a])(C[6]C[6a]N[6])(N[6]C[6a]C[6])	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6a]N[6])(N[6]C[6a]C[6]){1|N<3>,1|O<2>,2|H<1>,6|C<3>}	122.3450	0.000	1	122.3450	0.000	1	122.3450	0.000	1	122.3450	0.000	1	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:4:2:	N[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:N[6]-2:	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)(N[6]C[6])	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)(N[6]C[6]){1|N<3>,3|C<3>,3|H<1>}	121.6170	0.000	1	121.6170	0.000	1	121.6170	0.000	1	121.6170	0.000	1	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:2:	3:3:4:	3:3:4:	N[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]C)(N[6a]C[6a])	C[6a](C[6a]N[6a]N[6])(C[6a]N[6a]Cl)(CCHH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]N[6a])(C[6]C[6]HH)	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]C)(N[6a]C[6a]){1|Cl<1>,1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[6a](C[6a]N[6a]N[6])(C[6a]N[6a]Cl)(CCHH){1|C<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]N[6a])(C[6]C[6]HH){2|H<1>,3|C<4>,4|C<3>}	124.5780	0.000	1	124.5780	0.000	1	124.3935	0.068	2	124.3935	0.068	2	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:2:	3:3:4:	3:3:4:	N[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]C)(N[6a]C[6a])	C[6a](C[6a]N[6a]N[6])(C[6a]N[6a]N)(CCHH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]N[6a])(C[6]C[6]HH)	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]C)(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]N[6a]N[6])(C[6a]N[6a]N)(CCHH){1|C<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]N[6a])(C[6]C[6]HH){2|H<1>,3|C<4>,4|C<3>}	124.2090	0.000	1	124.2090	0.000	1	124.3935	0.068	2	124.3935	0.068	2	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:2:1:	3:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:Cl-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a](N[6]C[6,6a]C[6])(C[6a]N[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6])(N[6a]C[6a])(Cl)	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]O)	C[6a](N[6]C[6,6a]C[6])(C[6a]N[6a]Cl)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(N[6a]C[6a])(Cl){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]O){1|Cl<1>,1|N<2>,1|O<2>,3|H<1>,4|C<3>}	123.4410	0.000	1	123.4410	0.000	1	123.4410	0.000	1	123.4410	0.000	1	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:2:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(N[6a]N[6a])(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H)(N[6]C[6]2){1|N<3>,1|O<1>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(N[6a]N[6a])(H){1|Cl<1>,1|C<3>,3|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|Cl<1>,1|C<3>,1|N<2>,1|O<2>,5|H<1>}	120.4710	0.000	1	120.4710	0.000	1	120.4710	0.000	1	120.4710	0.000	1	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	N[6]-3:C[6a]-3:N[6]-2:	C[6a](C[6a]C[6a]H)2(N[6]N[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](N[6]B[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6])	C[6a](C[6a]C[6a]H)2(N[6]N[6]2){1|B<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	N[6](N[6]B[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]){2|H<1>,2|N<3>,5|C<3>}	120.0260	1.165	2	120.0260	1.358	2	120.0260	1.358	2	119.8892	2.171	6	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:N[6]-2:	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]N[6]C)(N[6]C[6])	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]N[6]C)(N[6]C[6]){1|N<3>,2|H<1>,3|C<3>}	119.8208	1.774	4	119.8208	3.147	4	119.8208	3.147	4	119.8892	2.171	6	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:N[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6]C[6,6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6]C[6,6a]2)(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[6a](C[6a]C[6a,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a]){1|N<3>,2|H<1>,8|C<3>}	119.6040	0.000	1	119.6040	0.000	1	119.6040	0.000	1	120.3272	0.971	95	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]H)2(N[6]C[6,6a]2)	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6a]N[6])(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)2(N[6]C[6,6a]2){7|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6a]N[6])(H){1|B<3>,1|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|C<4>,4|H<1>,6|C<3>}	119.8555	0.148	2	119.8555	0.022	2	119.8555	0.022	2	120.3272	0.971	95	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6a]C[6])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6]C[6a]C[6])2(C[6a]C[6a]2){4|H<1>,7|C<3>}	121.3320	0.041	2	121.3320	0.002	2	121.3320	0.002	2	120.3272	0.971	95	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:N[6]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](C[6a]C[5,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]N[6])(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]C){1|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]N[6])(H){1|C<4>,1|S<4>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|C<4>,1|S<2>,3|H<1>,6|C<3>}	117.4850	0.283	2	117.4850	0.080	2	118.9667	1.630	6	120.3272	0.971	95	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:N[6]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](C[6a]C[5,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]N[6])(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]N[6])(H){1|H<1>,1|S<4>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|C<4>,1|O<2>,3|H<1>,6|C<3>}	119.6840	0.000	1	119.7075	0.494	4	118.9667	1.630	6	120.3272	0.971	95	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:N[6]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](C[6a]C[5,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]N[6])(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]N[6])(H){1|H<1>,1|S<4>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|C<4>,1|S<2>,3|H<1>,6|C<3>}	119.9075	1.122	2	119.7075	0.494	4	118.9667	1.630	6	120.3272	0.971	95	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:N[6]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](C[6a]C[5,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]N[6])(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]N[6])(H){1|H<1>,1|S<4>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|S<2>,4|H<1>,6|C<3>}	119.3310	0.000	1	119.7075	0.494	4	118.9667	1.630	6	120.3272	0.971	95	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:N[6]-3:C[6a]-3:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](C[6a]C[6,6,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]N[6])(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6,6,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]N[6])(H){1|C<4>,2|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|S<2>,4|H<1>,6|C<3>}	119.1420	0.000	1	119.1420	0.000	1	119.1420	0.000	1	120.3272	0.971	95	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](C[6a]C[6,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N[6])(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N[6])(H){1|H<1>,1|S<4>,2|C<4>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|O<2>,4|H<1>,6|C<3>}	119.1840	0.000	1	119.1840	0.000	1	119.1840	0.000	1	120.3272	0.971	95	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:N[6]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]B[6a])(C[6a]C[6a]N[6])(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]H){1|B<3>,1|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]B[6a])(C[6a]C[6a]N[6])(H){1|H<1>,1|N<3>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|O<2>,4|H<1>,6|C<3>}	120.6730	0.409	2	120.6730	0.167	2	120.3303	1.180	4	120.3272	0.971	95	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:N[6]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6])(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6])(H){2|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|P<4>,4|H<1>,6|C<3>}	118.7830	0.000	1	119.9875	2.902	2	120.3303	1.180	4	120.3272	0.971	95	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:N[6]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6])(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6])(H){2|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|S<2>,4|H<1>,6|C<3>}	121.1920	0.000	1	119.9875	2.902	2	120.3303	1.180	4	120.3272	0.971	95	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:N[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](C[6a]C[5,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[5,6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[5,6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|C<4>,1|O<2>,3|H<1>,6|C<3>}	121.2470	0.000	1	120.6737	1.277	4	120.2658	0.696	10	120.3272	0.971	95	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:N[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](C[6a]C[5,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[5,6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[5,6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|C<4>,1|S<2>,3|H<1>,6|C<3>}	121.0380	1.242	2	120.6737	1.277	4	120.2658	0.696	10	120.3272	0.971	95	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:N[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](C[6a]C[5,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[5,6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[5,6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|S<2>,4|H<1>,6|C<3>}	119.3720	0.000	1	120.6737	1.277	4	120.2658	0.696	10	120.3272	0.971	95	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:N[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](C[6a]C[6,6,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]N[6])(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6,6,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]N[6])(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|S<2>,4|H<1>,6|C<3>}	120.5020	0.000	1	120.5020	0.000	1	120.2658	0.696	10	120.3272	0.971	95	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:N[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](C[6a]C[6,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6,6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|O<2>,4|H<1>,6|C<3>}	119.9420	0.000	1	119.9420	0.000	1	120.2658	0.696	10	120.3272	0.971	95	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:N[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N[6])(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]H){1|B<3>,1|H<1>,5|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N[6])(H){1|H<1>,1|N<3>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|O<2>,4|H<1>,6|C<3>}	120.2945	0.561	2	119.8798	0.338	4	120.2658	0.696	10	120.3272	0.971	95	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:N[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N[6])(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N[6])(H){1|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|P<4>,4|H<1>,6|C<3>}	119.3930	0.000	1	119.8798	0.338	4	120.2658	0.696	10	120.3272	0.971	95	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:N[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N[6])(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N[6])(H){1|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|S<2>,4|H<1>,6|C<3>}	119.5370	0.000	1	119.8798	0.338	4	120.2658	0.696	10	120.3272	0.971	95	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	B[6,6a]-3:N[6]-3:C[6a]-3:	C[6a](N[6]B[6,6a]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](B[6,6a]N[6,6a]N[6a])(N[6]C[6a]N[6])(C[6a]C[6a]2)	C[6a](N[6]B[6,6a]N[6])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|N<3>,2|H<1>}	N[6](B[6,6a]N[6,6a]N[6a])(N[6]C[6a]N[6])(C[6a]C[6a]2){1|B<3>,1|B<4>,2|H<1>,6|C<3>}	120.6200	1.674	2	120.6200	2.804	2	120.6200	2.804	2	120.3272	0.971	95	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](N[6]C[5a,6]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[5a,6]C[5a,6]C[5a])2(C[6a]C[6a]2)	C[6a](N[6]C[5a,6]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[5a,6]C[5a,6]C[5a])2(C[6a]C[6a]2){3|S<2>,4|C<3>,4|H<1>}	120.4195	1.771	2	120.4195	3.138	2	120.7580	1.212	4	120.3272	0.971	95	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](N[6]C[5a,6]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[5a,6]C[5a,6a]C[5a,6])2(C[6a]C[6a]2)	C[6a](N[6]C[5a,6]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,3|C<3>}	N[6](C[5a,6]C[5a,6a]C[5a,6])2(C[6a]C[6a]2){2|H<1>,3|S<2>,6|C<3>}	121.0965	0.202	2	121.0965	0.041	2	120.7580	1.212	4	120.3272	0.971	95	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<4>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|N<3>,1|N<4>,3|H<1>,6|C<3>}	122.0040	0.000	1	122.0040	0.000	1	120.4815	0.723	58	120.3272	0.971	95	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]N[6])2(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,1|N<3>,5|C<3>}	C[6a](C[6a]C[6a]N[6])2(H){2|O<2>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|O<2>,1|S<2>,3|H<1>,6|C<3>}	119.1470	0.000	1	119.1470	0.000	1	120.4815	0.723	58	120.3272	0.971	95	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]N[6])(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2{2|N<3>,5|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]N[6])(H){1|C<2>,1|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|O<2>,4|H<1>,6|C<3>}	119.5703	0.958	4	119.5703	0.917	4	120.4815	0.723	58	120.3272	0.971	95	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]2)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2{1|B<3>,6|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]2)(H){2|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|S<2>,4|H<1>,6|C<3>}	118.3270	0.000	1	118.3270	0.000	1	120.4815	0.723	58	120.3272	0.971	95	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]B)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2{1|B<3>,6|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]B)(H){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|S<2>,4|H<1>,6|C<3>}	120.8760	0.000	1	120.8760	0.000	1	120.4815	0.723	58	120.3272	0.971	95	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2){1|C<4>,4|H<1>,6|C<3>}	119.5867	0.457	4	119.5867	0.209	4	120.4815	0.723	58	120.3272	0.971	95	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|S<2>,4|H<1>,6|C<3>}	120.7840	0.280	2	120.3948	0.456	24	120.4815	0.723	58	120.3272	0.971	95	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|S<2>,4|H<1>,6|C<3>}	120.8260	0.276	2	120.3948	0.456	24	120.4815	0.723	58	120.3272	0.971	95	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|S<2>,4|H<1>,6|C<3>}	119.9075	0.626	2	120.3948	0.456	24	120.4815	0.723	58	120.3272	0.971	95	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|S<2>,4|H<1>,6|C<3>}	120.7485	0.624	4	120.3948	0.456	24	120.4815	0.723	58	120.3272	0.971	95	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|C<4>,4|H<1>,6|C<3>}	120.0210	0.350	6	120.3948	0.456	24	120.4815	0.723	58	120.3272	0.971	95	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|S<2>,4|H<1>,6|C<3>}	120.6432	0.771	6	120.3948	0.456	24	120.4815	0.723	58	120.3272	0.971	95	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|S<2>,4|H<1>,6|C<3>}	119.7305	1.204	2	120.3948	0.456	24	120.4815	0.723	58	120.3272	0.971	95	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2){1|N<3>,3|H<1>,7|C<3>}	120.9585	0.052	2	120.9575	0.313	20	120.4815	0.723	58	120.3272	0.971	95	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2){1|N<3>,3|H<1>,7|C<3>}	121.1277	0.736	6	120.9575	0.313	20	120.4815	0.723	58	120.3272	0.971	95	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2){1|N<3>,3|H<1>,7|C<3>}	120.8723	0.520	12	120.9575	0.313	20	120.4815	0.723	58	120.3272	0.971	95	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6a,6a]C[6,6a])2(C[6a]C[6a]2)	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])2(C[6a]C[6a]2){1|N<3>,2|H<1>,8|C<3>}	121.1595	0.576	2	121.1595	0.332	2	120.4815	0.723	58	120.3272	0.971	95	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]C)(H)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]N[6])(C[6a]C[6a]2)	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]H)2{1|N<3>,2|C<4>,4|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]C)(H){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]N[6])(C[6a]C[6a]2){2|N<3>,3|H<1>,6|C<3>}	122.2270	0.000	1	122.2270	0.000	1	122.2270	0.000	1	120.3272	0.971	95	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a](N[6]C[6,6a]C[6])(C[6a]N[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]Cl)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]O)	C[6a](N[6]C[6,6a]C[6])(C[6a]N[6a]Cl)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]Cl)(H){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]O){1|Cl<1>,1|N<2>,1|O<2>,3|H<1>,4|C<3>}	118.7020	0.000	1	118.7020	0.000	1	118.7020	0.000	1	120.3272	0.971	95	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[6]-3:C[6a]-3:C[6]-3:	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]O)	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	N[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]O){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	119.9380	0.110	2	119.9380	0.012	2	119.9380	0.012	2	120.3272	0.971	95	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[6]C[6]2){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HO){1|N<2>,3|H<1>,6|C<3>}	119.1420	0.000	1	119.1420	0.000	1	120.1597	3.778	3	120.2786	5.495	7	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6,6a]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6]C[6,6a]C[5])(C[6a]C[6a]2)(C[6]C[6]HH){2|N<3>,4|C<3>,4|H<1>}	120.6685	2.450	2	120.6685	6.003	2	120.1597	3.778	3	120.2786	5.495	7	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]C)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]C)(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]C)(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH){2|C<4>,4|C<3>,4|H<1>}	116.7830	0.000	1	116.7830	0.000	1	119.2257	4.843	3	120.2786	5.495	7	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]CH)	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]CH){4|H<1>,5|C<3>}	120.4470	0.858	2	120.4470	0.737	2	119.2257	4.843	3	120.2786	5.495	7	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[6]-3:C[6a]-3:C[6]-4:	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]HO)	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	N[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]HO){1|H<1>,1|O<2>,2|N<2>,5|C<3>}	123.7940	0.000	1	123.7940	0.000	1	123.7940	0.000	1	120.2786	5.495	7	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:2:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:N[6]-2:	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6])	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	120.5760	1.334	2	120.4619	0.537	8	120.4619	0.537	8	120.4705	1.234	26	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:2:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:N[6]-2:	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6])	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	120.2265	0.366	2	120.4619	0.537	8	120.4619	0.537	8	120.4705	1.234	26	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:2:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:N[6]-2:	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6])	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]){1|O<2>,2|H<1>,4|C<3>}	120.2380	0.126	2	120.4619	0.537	8	120.4619	0.537	8	120.4705	1.234	26	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:2:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:N[6]-2:	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6])	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]){2|C<3>,2|C<4>,4|H<1>}	120.8070	1.164	2	120.4619	0.537	8	120.4619	0.537	8	120.4705	1.234	26	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:2:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:O[6]-2:	C[6a](N[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])	C[6a](N[6]C[6]O[6])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6]){1|C<4>,3|H<1>,4|C<3>}	120.7290	0.926	2	120.6190	0.361	4	120.4744	1.594	18	120.4705	1.234	26	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:2:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:O[6]-2:	C[6a](N[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])	C[6a](N[6]C[6]O[6])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6]){3|H<1>,5|C<3>}	120.5090	0.419	2	120.6190	0.361	4	120.4744	1.594	18	120.4705	1.234	26	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:2:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:O[6]-2:	C[6a](N[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6,6])	C[6a](N[6]C[6]O[6])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6,6]){1|C<4>,3|C<3>,4|H<1>}	120.3940	2.184	2	120.3940	4.768	2	120.4744	1.594	18	120.4705	1.234	26	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:2:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:O[6]-2:	C[6a](N[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])	C[6a](N[6]C[6]O[6])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6]){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	120.4180	2.537	2	120.4396	1.922	12	120.4744	1.594	18	120.4705	1.234	26	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:2:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:O[6]-2:	C[6a](N[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])	C[6a](N[6]C[6]O[6])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6]){4|C<3>,4|H<1>}	120.4439	1.278	10	120.4396	1.922	12	120.4744	1.594	18	120.4705	1.234	26	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[6]-4:C[6a]-3:	C[6a](N[6]C[5a,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)	C[6a](N[6]C[5a,6]C[6])(C[6a]C[6a]H)2{1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2){1|N<2>,2|H<1>,8|C<3>}	119.4410	0.000	1	119.4410	0.000	1	119.9795	0.580	2	120.9215	1.150	12	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[6]-4:C[6a]-3:	C[6a](N[6]C[5a,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]O)(H)	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)	C[6a](N[6]C[5a,6]C[6])(C[6a]C[6a]H)2{1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]O)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2){1|N<2>,2|H<1>,8|C<3>}	120.5180	0.000	1	120.5180	0.000	1	119.9795	0.580	2	120.9215	1.150	12	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:N[6]-3:	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]N)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|N<2>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,3|N<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	123.4780	0.000	1	122.9210	0.620	2	121.1099	1.105	10	120.9215	1.150	12	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:N[6]-3:	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]N)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,3|N<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	122.3640	0.000	1	122.9210	0.620	2	121.1099	1.105	10	120.9215	1.150	12	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:N[6]-3:	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C){3|C<3>,5|H<1>}	120.6520	0.288	4	120.6571	0.160	8	121.1099	1.105	10	120.9215	1.150	12	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:N[6]-3:	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C){1|C<4>,3|C<3>,5|H<1>}	120.6623	0.540	4	120.6571	0.160	8	121.1099	1.105	10	120.9215	1.150	12	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[5,6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[5,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[5,6a]C[6a])(C[6]C[6]HH)2	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(N[6]C[6]2){1|N<3>,1|O<2>,2|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a]C[5,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	N[6](C[6a]C[5,6a]C[6a])(C[6]C[6]HH)2{1|C<4>,1|O<2>,2|C<3>,5|H<1>}	123.4330	0.000	1	122.5043	0.838	3	122.8227	0.732	6	121.8741	3.343	491	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[5,6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[5,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[5,6a]C[6a])(C[6]C[6]HH)2	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(N[6]C[6]2){1|N<3>,3|C<3>,3|C<4>,5|H<1>}	C[6a](C[6a]C[5,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	N[6](C[6a]C[5,6a]C[6a])(C[6]C[6]HH)2{1|C<4>,1|O<2>,2|C<3>,5|H<1>}	122.4770	0.000	1	122.5043	0.838	3	122.8227	0.732	6	121.8741	3.343	491	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[5,6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[5,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[5,6a]C[6a])(C[6]C[6]HH)2	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(N[6]C[6]2){1|N<3>,3|C<3>,3|C<4>,5|H<1>}	C[6a](C[6a]C[5,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	N[6](C[6a]C[5,6a]C[6a])(C[6]C[6]HH)2{1|C<4>,1|S<2>,2|C<3>,5|H<1>}	121.6030	0.000	1	122.5043	0.838	3	122.8227	0.732	6	121.8741	3.343	491	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[5,6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[5,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[5,6a]C[6a])(C[6]C[6]HH)2	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,1|N<3>,3|C<4>,7|H<1>}	C[6a](C[6a]C[5,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	N[6](C[6a]C[5,6a]C[6a])(C[6]C[6]HH)2{1|C<4>,1|O<2>,2|C<3>,5|H<1>}	123.5645	0.547	2	123.1410	0.687	3	122.8227	0.732	6	121.8741	3.343	491	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[5,6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[5,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[5,6a]C[6a])(C[6]C[6]HH)2	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(N[6]C[6]2){1|N<3>,1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[5,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6a]C[5,6a]C[6a])(C[6]C[6]HH)2{1|C<4>,3|C<3>,5|H<1>}	122.2940	0.000	1	123.1410	0.687	3	122.8227	0.732	6	121.8741	3.343	491	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[5a,6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[5a,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]HH)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6]C[6]2){1|N<3>,2|C<3>,2|C<4>,6|H<1>}	C[6a](C[6a]C[5a,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]HH)2{1|N<4>,3|C<3>,5|H<1>}	123.1090	0.716	3	123.1972	0.299	5	123.5093	0.655	7	121.8741	3.343	491	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[5a,6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[5a,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]HH)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6]C[6]2){1|N<3>,2|C<3>,2|C<4>,6|H<1>}	C[6a](C[6a]C[5a,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]HH)2{1|O<2>,3|C<3>,5|H<1>}	123.5670	0.000	1	123.1972	0.299	5	123.5093	0.655	7	121.8741	3.343	491	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[5a,6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[5a,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]HH)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6]C[6]2){1|S<2>,2|C<3>,2|C<4>,6|H<1>}	C[6a](C[6a]C[5a,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]HH)2{1|N<3>,3|C<3>,5|H<1>}	123.0920	0.000	1	123.1972	0.299	5	123.5093	0.655	7	121.8741	3.343	491	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[5a,6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[5a,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]HH)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,1|N<2>,1|O<2>,2|C<4>,5|H<1>}	C[6a](C[6a]C[5a,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|C<4>}	N[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]HH)2{1|N<2>,1|N<3>,2|C<3>,5|H<1>}	123.5710	0.000	1	124.2895	1.032	2	123.5093	0.655	7	121.8741	3.343	491	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[5a,6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[5a,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]HH)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,1|N<2>,1|S<2>,2|C<4>,5|H<1>}	C[6a](C[6a]C[5a,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|C<4>}	N[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]HH)2{1|C<4>,1|N<2>,2|C<3>,5|H<1>}	125.0080	0.000	1	124.2895	1.032	2	123.5093	0.655	7	121.8741	3.343	491	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6,6a]C[6,6a,6a]O[6])(C[6a]C[6a]F)(N[6]C[6]2)	C[6a](C[6a]C[6,6a]N[6])(C[6a]C[6a,6a]H)(F)	N[6](C[6a]C[6,6a]C[6a])(C[6]C[6]HH)2	C[6a](C[6,6a]C[6,6a,6a]O[6])(C[6a]C[6a]F)(N[6]C[6]2){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	C[6a](C[6a]C[6,6a]N[6])(C[6a]C[6a,6a]H)(F){1|O<2>,2|C<3>,2|C<4>}	N[6](C[6a]C[6,6a]C[6a])(C[6]C[6]HH)2{1|F<1>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	123.3647	4.570	3	122.1635	19.693	4	122.1635	19.693	4	121.8741	3.343	491	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6,6a]C[6,6a,6a]O[6])(C[6a]C[6a]F)(N[6]C[6]2)	C[6a](C[6a]C[6,6a]N[6])(C[6a]C[6a,6a]H)(F)	N[6](C[6a]C[6,6a]C[6a])(C[6]C[6]HH)2	C[6a](C[6,6a]C[6,6a,6a]O[6])(C[6a]C[6a]F)(N[6]C[6]2){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	C[6a](C[6a]C[6,6a]N[6])(C[6a]C[6a,6a]H)(F){1|O<2>,2|C<3>,2|C<4>}	N[6](C[6a]C[6,6a]C[6a])(C[6]C[6]HH)2{1|F<1>,1|N<4>,1|O<2>,2|C<3>,4|H<1>}	118.5600	0.000	1	122.1635	19.693	4	122.1635	19.693	4	121.8741	3.343	491	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6,6a]C[6a])(C[6]C[6]HH)2	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H)(N[6]C[6]2){1|N<3>,2|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6a]C[6,6a]C[6a])(C[6]C[6]HH)2{1|C<4>,3|C<3>,5|H<1>}	121.9770	0.000	1	121.9265	0.005	2	121.5452	3.274	5	121.8741	3.343	491	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6,6a]C[6a])(C[6]C[6]HH)2	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H)(N[6]C[6]2){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6a]C[6,6a]C[6a])(C[6]C[6]HH)2{1|O<2>,3|C<3>,5|H<1>}	121.8760	0.000	1	121.9265	0.005	2	121.5452	3.274	5	121.8741	3.343	491	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6,6a]C[6a])(C[6]C[6]HH)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(N[6]C[6]2){1|O<1>,2|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6a]C[6,6a]C[6a])(C[6]C[6]HH)2{1|C<4>,3|C<3>,5|H<1>}	119.8520	0.426	2	119.8520	0.181	2	121.5452	3.274	5	121.8741	3.343	491	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6,6a]C[6a])(C[6]C[6]HH)2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[6a](C[6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	N[6](C[6a]C[6,6a]C[6a])(C[6]C[6]HH)2{1|N<4>,1|O<2>,2|C<3>,5|H<1>}	124.1690	0.000	1	124.1690	0.000	1	121.5452	3.274	5	121.8741	3.343	491	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(N[6]C[6]2)	C[6a](C[6a]C[6,6a]N[6])(N[6a]N[6a]H)(O)	N[6](C[6a]C[6,6a]C[6a])(C[6]C[6]HH)2	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(N[6]C[6]2){1|N<2>,1|N<3>,4|C<4>,5|H<1>}	C[6a](C[6a]C[6,6a]N[6])(N[6a]N[6a]H)(O){1|C<3>,1|N<3>,2|C<4>}	N[6](C[6a]C[6,6a]C[6a])(C[6]C[6]HH)2{1|C<3>,1|O<1>,1|O<2>,2|N<3>,4|H<1>}	120.8510	0.000	1	120.8510	0.000	1	120.8510	0.000	1	121.8741	3.343	491	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6,6a]H)(N[6]C[6]2)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a,6a]N[6])(H)	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6,6a]H)(N[6]C[6]2){2|C<4>,4|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a,6a]N[6])(H){1|N<3>,1|O<1>,2|C<4>,3|C<3>}	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2{1|O<2>,3|C<3>,5|H<1>}	119.3795	0.151	2	119.3795	0.023	2	120.3477	2.823	3	121.8741	3.343	491	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]H)(N[6]C[6]2)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]N[6])(H)	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]H)(N[6]C[6]2){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]N[6])(H){1|N<2>,2|C<3>,3|C<4>}	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2{1|N<3>,3|C<3>,5|H<1>}	122.2840	0.000	1	122.2840	0.000	1	120.3477	2.823	3	121.8741	3.343	491	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a,6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a,6a]N[6])(C[6a]C[6,6a]H)(H)	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]2){2|C<4>,3|C<3>,6|H<1>}	C[6a](C[6a]C[6a,6a]N[6])(C[6a]C[6,6a]H)(H){2|C<4>,3|C<3>}	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2{1|C<4>,3|C<3>,5|H<1>}	122.6400	0.390	5	122.8126	0.218	7	122.8860	1.578	15	121.8741	3.343	491	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a,6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a,6a]N[6])(C[6a]C[6,6a]H)(H)	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]2){2|C<4>,3|C<3>,6|H<1>}	C[6a](C[6a]C[6a,6a]N[6])(C[6a]C[6,6a]H)(H){2|C<4>,3|C<3>}	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2{1|N<3>,3|C<3>,5|H<1>}	123.2440	0.423	2	122.8126	0.218	7	122.8860	1.578	15	121.8741	3.343	491	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a,6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6]C[6]2){1|N<2>,2|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2{1|O<2>,3|C<3>,5|H<1>}	120.8720	0.000	1	120.8720	0.000	1	122.8860	1.578	15	121.8741	3.343	491	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a,6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]2){1|N<3>,2|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2{1|O<2>,3|C<3>,5|H<1>}	119.6830	0.000	1	122.8205	4.590	4	122.8860	1.578	15	121.8741	3.343	491	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a,6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]2){2|C<4>,3|C<3>,6|H<1>}	C[6a](C[6a]C[6a,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2{1|C<4>,3|C<3>,5|H<1>}	123.3450	0.000	1	122.8205	4.590	4	122.8860	1.578	15	121.8741	3.343	491	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a,6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]2){2|C<4>,3|C<3>,6|H<1>}	C[6a](C[6a]C[6a,6a]N[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|C<4>}	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2{1|C<4>,3|C<3>,5|H<1>}	124.1270	0.488	2	122.8205	4.590	4	122.8860	1.578	15	121.8741	3.343	491	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a,6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a,6a]N[6])(C[6a]N[6a]H)(H)	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]2){1|N<2>,2|C<3>,2|C<4>,6|H<1>}	C[6a](C[6a]C[6a,6a]N[6])(C[6a]N[6a]H)(H){2|C<3>,2|C<4>}	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2{1|N<3>,3|C<3>,5|H<1>}	123.8160	0.389	3	123.8160	0.151	3	122.8860	1.578	15	121.8741	3.343	491	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]F)(N[6]C[6]2)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[6])(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]F)(N[6]C[6]2){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[6])(H){1|F<1>,1|H<1>,1|N<2>,2|C<3>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|F<1>,1|O<2>,2|C<3>,5|H<1>}	123.9840	0.000	1	123.9840	0.000	1	123.5310	0.410	2	121.8741	3.343	491	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N[6])(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(N[6]C[6]2){2|C<3>,2|C<4>,5|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N[6])(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<4>,2|C<3>,6|H<1>}	123.0780	0.000	1	123.0780	0.000	1	123.5310	0.410	2	121.8741	3.343	491	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6,6a]F)(C[6a]C[6a]F)(N[6]C[6]2)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N[6])(F)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6,6a]F)(C[6a]C[6a]F)(N[6]C[6]2){1|C<3>,2|C<4>,2|N<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N[6])(F){1|F<1>,3|C<3>,3|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<3>,2|C<3>,2|C<4>,2|F<1>,2|H<1>}	120.3000	0.000	1	120.3000	0.000	1	120.3000	0.000	1	121.8741	3.343	491	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]F)(N[6]C[6]2)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N[6])(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]F)(N[6]C[6]2){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N[6])(H){1|F<1>,3|C<3>,3|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|F<1>,1|N<3>,2|C<3>,5|H<1>}	123.3380	0.882	4	122.3518	3.922	8	122.7637	3.287	13	121.8741	3.343	491	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]F)(N[6]C[6]2)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N[6])(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]F)(N[6]C[6]2){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N[6])(H){1|F<1>,3|C<3>,3|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|F<1>,1|N<4>,2|C<3>,5|H<1>}	121.3655	2.404	4	122.3518	3.922	8	122.7637	3.287	13	121.8741	3.343	491	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]F)(N[6]C[6]2)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]N[6])(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]F)(N[6]C[6]2){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]N[6])(H){1|C<3>,1|F<1>,1|N<3>,3|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|F<1>,1|S<2>,2|C<3>,5|H<1>}	124.0275	0.619	4	124.0275	0.383	4	122.7637	3.287	13	121.8741	3.343	491	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]N[6])(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]N[6])(H){1|H<1>,2|C<4>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<4>,2|C<3>,6|H<1>}	121.0040	0.000	1	121.0040	0.000	1	122.7637	3.287	13	121.8741	3.343	491	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a,6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a,6a]F)(C[6a]C[6a]F)(N[6]C[6]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[6])(F)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a,6a]F)(C[6a]C[6a]F)(N[6]C[6]2){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[6])(F){1|F<1>,3|C<3>,3|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<4>,1|N<4>,2|C<3>,2|F<1>,3|H<1>}	119.2060	0.000	1	119.5300	0.081	3	119.5300	0.081	3	121.8741	3.343	491	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a,6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a,6a]F)(C[6a]C[6a]F)(N[6]C[6]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[6])(F)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a,6a]F)(C[6a]C[6a]F)(N[6]C[6]2){1|C<3>,2|C<4>,2|N<3>,4|H<1>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[6])(F){1|F<1>,3|C<3>,3|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<3>,2|C<3>,2|C<4>,2|F<1>,2|H<1>}	119.7370	0.000	1	119.5300	0.081	3	119.5300	0.081	3	121.8741	3.343	491	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a,6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a,6a]F)(C[6a]C[6a]F)(N[6]C[6]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[6])(F)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a,6a]F)(C[6a]C[6a]F)(N[6]C[6]2){1|C<3>,2|C<4>,2|N<3>,4|H<1>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[6])(F){1|F<1>,3|C<3>,3|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<4>,2|C<3>,2|C<4>,2|F<1>,2|H<1>}	119.6470	0.000	1	119.5300	0.081	3	119.5300	0.081	3	121.8741	3.343	491	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]F)(N[6]C[6]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[6])(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]F)(N[6]C[6]2){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[6])(H){1|F<1>,3|C<3>,3|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|F<1>,1|N<3>,2|C<3>,5|H<1>}	123.4222	0.264	5	123.1825	0.487	37	123.1825	0.487	37	121.8741	3.343	491	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]F)(N[6]C[6]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[6])(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]F)(N[6]C[6]2){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[6])(H){1|F<1>,3|C<3>,3|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|F<1>,1|N<4>,2|C<3>,5|H<1>}	123.1451	0.739	32	123.1825	0.487	37	123.1825	0.487	37	121.8741	3.343	491	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]Cl)(Cl)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(N[6]C[6]2){1|Cl<1>,1|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]Cl)(Cl){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|Cl<1>,1|N<3>,2|C<3>,5|H<1>}	119.9227	0.792	4	119.6746	1.006	9	120.2595	2.745	12	121.8741	3.343	491	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]Cl)(Cl)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(N[6]C[6]2){1|Cl<1>,1|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]Cl)(Cl){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|Cl<1>,1|N<4>,2|C<3>,5|H<1>}	119.4760	1.196	5	119.6746	1.006	9	120.2595	2.745	12	121.8741	3.343	491	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(Cl)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|Cl<1>,1|O<2>,2|C<3>,5|H<1>}	121.6570	0.000	1	120.8275	1.376	2	120.2595	2.745	12	121.8741	3.343	491	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(Cl)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(Cl){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|Cl<1>,1|N<3>,2|C<3>,5|H<1>}	119.9980	0.000	1	120.8275	1.376	2	120.2595	2.745	12	121.8741	3.343	491	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]N[6a]O)(Cl)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H)(N[6]C[6]2){1|N<3>,1|O<1>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]N[6a]O)(Cl){1|H<1>,1|N<2>,3|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|Cl<1>,1|C<3>,1|N<2>,1|O<2>,5|H<1>}	124.3880	0.000	1	124.3880	0.000	1	120.2595	2.745	12	121.8741	3.343	491	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]F)(N[6]C[6]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]N[6])(F)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]F)(N[6]C[6]2){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]N[6])(F){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|F<1>,1|O<2>,2|C<3>,5|H<1>}	118.4710	0.000	1	118.4710	0.000	1	121.0045	4.809	81	121.8741	3.343	491	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6,6a]F)(C[6a]C[6a]F)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6,6a]N)(F)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6,6a]F)(C[6a]C[6a]F)(N[6]C[6]2){1|C<3>,2|C<4>,2|N<3>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6,6a]N)(F){1|F<1>,2|C<3>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<3>,2|C<3>,2|C<4>,2|F<1>,2|H<1>}	124.0320	0.000	1	124.0320	0.000	1	121.0045	4.809	81	121.8741	3.343	491	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]F)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6,6a]H)(F)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]F)(N[6]C[6]2){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6,6a]H)(F){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|F<1>,1|N<3>,2|C<3>,5|H<1>}	120.0198	1.005	4	120.5962	1.038	12	121.0045	4.809	81	121.8741	3.343	491	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]F)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6,6a]H)(F)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]F)(N[6]C[6]2){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6,6a]H)(F){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|F<1>,1|N<4>,2|C<3>,5|H<1>}	121.4513	1.087	4	120.5962	1.038	12	121.0045	4.809	81	121.8741	3.343	491	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]F)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6,6a]H)(F)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]F)(N[6]C[6]2){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6,6a]H)(F){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|F<1>,1|S<2>,2|C<3>,5|H<1>}	120.3178	0.306	4	120.5962	1.038	12	121.0045	4.809	81	121.8741	3.343	491	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a,6a]F)(C[6a]C[6a]F)(N[6]C[6]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N[6])(F)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a,6a]F)(C[6a]C[6a]F)(N[6]C[6]2){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N[6])(F){1|F<1>,2|C<3>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<4>,1|N<4>,2|C<3>,2|F<1>,3|H<1>}	124.2450	0.000	1	124.2450	0.000	1	121.0045	4.809	81	121.8741	3.343	491	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a,6a]F)(C[6a]C[6a]F)(N[6]C[6]2)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]N[6])(F)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a,6a]F)(C[6a]C[6a]F)(N[6]C[6]2){1|C<3>,2|C<4>,2|N<3>,4|H<1>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]N[6])(F){1|F<1>,2|C<3>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<3>,2|C<3>,2|C<4>,2|F<1>,2|H<1>}	124.6670	0.000	1	125.0935	0.364	2	121.0045	4.809	81	121.8741	3.343	491	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a,6a]F)(C[6a]C[6a]F)(N[6]C[6]2)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]N[6])(F)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a,6a]F)(C[6a]C[6a]F)(N[6]C[6]2){1|C<3>,2|C<4>,2|N<3>,4|H<1>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]N[6])(F){1|F<1>,2|C<3>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<4>,2|C<3>,2|C<4>,2|F<1>,2|H<1>}	125.5200	0.000	1	125.0935	0.364	2	121.0045	4.809	81	121.8741	3.343	491	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]F)(N[6]C[6]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N[6])(F)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]F)(N[6]C[6]2){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N[6])(F){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|F<1>,1|N<3>,2|C<3>,5|H<1>}	119.8544	0.791	5	120.3227	1.197	37	121.0045	4.809	81	121.8741	3.343	491	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]F)(N[6]C[6]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N[6])(F)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]F)(N[6]C[6]2){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N[6])(F){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|F<1>,1|N<4>,2|C<3>,5|H<1>}	120.3958	1.126	32	120.3227	1.197	37	121.0045	4.809	81	121.8741	3.343	491	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]F)(N[6]C[6]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N[6])(F)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]F)(N[6]C[6]2){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N[6])(F){1|O<2>,2|C<3>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<4>,1|F<1>,1|N<4>,1|O<2>,2|C<3>,3|H<1>}	124.8100	0.000	1	124.8100	0.000	1	121.0045	4.809	81	121.8741	3.343	491	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(F)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(F){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|F<1>,1|O<2>,2|C<3>,5|H<1>}	119.7192	0.200	5	119.8805	0.096	10	121.0045	4.809	81	121.8741	3.343	491	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(F)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(F){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<4>,1|F<1>,2|C<3>,5|H<1>}	119.9130	0.000	1	119.8805	0.096	10	121.0045	4.809	81	121.8741	3.343	491	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(F)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(F){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|F<1>,1|N<3>,2|C<3>,5|H<1>}	120.0740	0.375	4	119.8805	0.096	10	121.0045	4.809	81	121.8741	3.343	491	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(F)	N[6](C[6a]C[6a]2)(C[6]N[6]HH)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,2|N<3>,6|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(F){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]N[6]HH)2{1|F<1>,1|H<1>,2|C<4>,3|C<3>}	119.3490	0.054	2	119.3490	0.003	2	121.0045	4.809	81	121.8741	3.343	491	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]Br)(F)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(N[6]C[6]2){1|Br<1>,1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]Br)(F){1|C<3>,1|F<1>,1|N<2>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|F<1>,1|N<2>,1|O<2>,2|C<3>,4|H<1>}	122.8583	1.406	3	122.8583	1.977	3	121.0045	4.809	81	121.8741	3.343	491	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]F)(C[6a]N[6a]O)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]N[6a]F)(F)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]F)(C[6a]N[6a]O)(N[6]C[6]2){1|F<1>,1|N<2>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]N[6a]F)(F){1|N<3>,1|O<1>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<3>,1|C<4>,1|F<1>,1|N<3>,1|O<1>,4|H<1>}	126.6410	0.000	1	126.6410	0.000	1	121.0045	4.809	81	121.8741	3.343	491	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]F)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]F)(F)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]F)2(N[6]C[6]2){1|C<3>,2|C<4>,2|F<1>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]F)(F){1|Pd<4>,1|C<3>,1|F<1>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<4>,2|C<3>,2|F<1>,4|H<1>}	122.5800	4.530	4	122.7804	15.562	10	121.0045	4.809	81	121.8741	3.343	491	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]F)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]F)(F)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]F)2(N[6]C[6]2){1|C<3>,2|C<4>,2|F<1>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]F)(F){1|Pt<4>,1|C<3>,1|F<1>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<4>,2|C<3>,2|F<1>,4|H<1>}	122.8578	4.261	4	122.7804	15.562	10	121.0045	4.809	81	121.8741	3.343	491	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]F)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]F)(F)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]F)2(N[6]C[6]2){1|C<3>,2|C<4>,2|F<1>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]F)(F){1|Pt<6>,1|C<3>,1|F<1>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<4>,2|C<3>,2|F<1>,4|H<1>}	123.0265	4.870	2	122.7804	15.562	10	121.0045	4.809	81	121.8741	3.343	491	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]N[6])(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(N[6]C[6]2){2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]N[6])(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<4>,2|C<3>,6|H<1>}	117.9910	0.000	1	117.9910	0.000	1	121.8905	2.446	293	121.8741	3.343	491	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6,6a]C[5a])(C[6a]C[6a]N[6])(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]H)(N[6]C[6]2){2|C<3>,3|C<4>,4|H<1>}	C[6a](C[6a]C[6,6a]C[5a])(C[6a]C[6a]N[6])(H){1|C<2>,1|N<3>,1|S<2>,2|C<3>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<2>,1|O<2>,2|C<3>,5|H<1>}	124.9160	0.000	1	124.9160	0.000	1	121.8905	2.446	293	121.8741	3.343	491	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6,6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6,6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<4>,2|C<3>,6|H<1>}	120.6540	0.000	1	120.6540	0.000	1	121.8905	2.446	293	121.8741	3.343	491	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N[6])(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(N[6]C[6]2){2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N[6])(H){1|N<3>,2|C<3>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<3>,1|O<2>,2|C<3>,5|H<1>}	122.3270	0.000	1	122.3270	0.000	1	121.8905	2.446	293	121.8741	3.343	491	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a,6a]N[5])(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N[6])(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a,6a]N[5])(C[6a]C[6a]H)(N[6]C[6]2){1|C<2>,2|C<3>,3|C<4>,5|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N[6])(H){1|N<3>,2|C<3>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<4>,1|N<3>,2|C<3>,5|H<1>}	121.8370	0.361	2	121.9203	0.503	10	121.8905	2.446	293	121.8741	3.343	491	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a,6a]N[5])(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N[6])(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a,6a]N[5])(C[6a]C[6a]H)(N[6]C[6]2){1|C<2>,2|C<3>,3|C<4>,5|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N[6])(H){1|N<3>,2|C<3>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<3>,1|O<2>,2|C<3>,5|H<1>}	122.1923	0.409	4	121.9203	0.503	10	121.8905	2.446	293	121.8741	3.343	491	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a,6a]N[5])(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N[6])(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a,6a]N[5])(C[6a]C[6a]H)(N[6]C[6]2){3|C<3>,3|C<4>,5|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N[6])(H){1|N<3>,2|C<3>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<4>,1|N<3>,2|C<3>,5|H<1>}	121.0735	1.173	2	121.9203	0.503	10	121.8905	2.446	293	121.8741	3.343	491	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a,6a]N[5])(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N[6])(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a,6a]N[5])(C[6a]C[6a]H)(N[6]C[6]2){3|C<3>,3|C<4>,5|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N[6])(H){1|N<3>,2|C<3>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<3>,1|O<2>,2|C<3>,5|H<1>}	122.3065	0.691	2	121.9203	0.503	10	121.8905	2.446	293	121.8741	3.343	491	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]CC)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,2|H<1>,6|C<4>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|H<1>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]CC)2{1|B<3>,1|C<4>,2|C<3>,5|H<1>}	122.2035	0.042	2	121.6357	0.968	3	121.8905	2.446	293	121.8741	3.343	491	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]CC)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,2|H<1>,6|C<4>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|H<1>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]CC)2{1|B<4>,1|C<4>,2|C<3>,5|H<1>}	120.5000	0.000	1	121.6357	0.968	3	121.8905	2.446	293	121.8741	3.343	491	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,2|C<4>,3|O<2>,5|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|H<1>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|B<3>,1|O<2>,2|C<3>,5|H<1>}	122.7740	0.000	1	122.7740	0.000	1	121.8905	2.446	293	121.8741	3.343	491	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]2)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2){2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]2)(H){1|C<2>,1|H<1>,2|C<4>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<2>,1|C<4>,2|C<3>,5|H<1>}	124.0340	0.000	1	123.4183	0.285	3	121.8905	2.446	293	121.8741	3.343	491	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]2)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2){2|C<3>,3|C<4>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]2)(H){1|C<2>,1|H<1>,2|C<4>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<2>,1|N<3>,2|C<3>,5|H<1>}	123.1105	0.032	2	123.4183	0.285	3	121.8905	2.446	293	121.8741	3.343	491	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]C)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,1|N<3>,3|C<4>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]C)(H){1|C<2>,1|C<3>,1|H<1>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<2>,1|O<2>,2|C<3>,5|H<1>}	122.4980	0.000	1	122.0035	0.562	4	121.8905	2.446	293	121.8741	3.343	491	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]C)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]C)(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|O<2>,3|C<3>,4|H<1>}	121.5830	0.000	1	122.0035	0.562	4	121.8905	2.446	293	121.8741	3.343	491	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]C)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]C)(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|O<2>,3|C<3>,5|H<1>}	121.1720	0.000	1	122.0035	0.562	4	121.8905	2.446	293	121.8741	3.343	491	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]C)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2){2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<4>,3|C<3>,5|H<1>}	122.7610	0.000	1	122.0035	0.562	4	121.8905	2.446	293	121.8741	3.343	491	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]Cl)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2){1|Cl<1>,1|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]Cl)(H){1|C<3>,4|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<4>,1|N<3>,2|C<3>,5|H<1>}	123.1780	0.000	1	123.1780	0.000	1	121.8905	2.446	293	121.8741	3.343	491	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<4>,1|N<4>,2|C<3>,5|H<1>}	122.0310	0.000	1	121.7744	0.648	14	121.8905	2.446	293	121.8741	3.343	491	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<4>,1|O<2>,2|C<3>,5|H<1>}	123.2290	0.000	1	121.7744	0.648	14	121.8905	2.446	293	121.8741	3.343	491	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{2|C<3>,2|C<4>,5|H<1>}	121.5740	0.000	1	121.7744	0.648	14	121.8905	2.446	293	121.8741	3.343	491	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<4>,3|C<3>,5|H<1>}	121.1680	0.000	1	121.7744	0.648	14	121.8905	2.446	293	121.8741	3.343	491	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|O<2>,3|C<3>,5|H<1>}	121.8760	0.962	2	121.7744	0.648	14	121.8905	2.446	293	121.8741	3.343	491	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<4>,3|C<3>,5|H<1>}	121.7950	0.000	1	121.7744	0.648	14	121.8905	2.446	293	121.8741	3.343	491	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|O<2>,3|C<3>,5|H<1>}	121.8990	0.000	1	121.7744	0.648	14	121.8905	2.446	293	121.8741	3.343	491	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,3|C<4>,5|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|H<1>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<2>,1|O<2>,2|C<3>,5|H<1>}	123.2800	0.000	1	121.7744	0.648	14	121.8905	2.446	293	121.8741	3.343	491	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,3|C<4>,5|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<4>,1|N<4>,2|C<3>,5|H<1>}	121.2228	0.520	5	121.7744	0.648	14	121.8905	2.446	293	121.8741	3.343	491	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|H<1>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|Cl<1>,1|N<3>,2|C<3>,5|H<1>}	122.9160	0.000	1	122.9034	0.508	10	121.8905	2.446	293	121.8741	3.343	491	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(N[6]C[6]2){1|Cl<1>,1|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|H<1>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|Cl<1>,1|N<3>,2|C<3>,5|H<1>}	122.8007	0.826	4	122.9034	0.508	10	121.8905	2.446	293	121.8741	3.343	491	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(N[6]C[6]2){1|Cl<1>,1|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|H<1>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|Cl<1>,1|N<4>,2|C<3>,5|H<1>}	122.9830	0.783	5	122.9034	0.508	10	121.8905	2.446	293	121.8741	3.343	491	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])2(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]N[6])2(H){1|Cl<1>,1|C<3>,1|N<3>,4|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|Cl<1>,1|O<2>,2|C<3>,5|H<1>}	121.2340	0.000	1	121.2340	0.000	1	121.8905	2.446	293	121.8741	3.343	491	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,1|H<1>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<4>,1|F<1>,2|C<3>,5|H<1>}	124.3470	0.000	1	124.4558	0.885	10	121.8905	2.446	293	121.8741	3.343	491	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,1|H<1>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|F<1>,1|N<3>,2|C<3>,5|H<1>}	123.5493	0.706	4	124.4558	0.885	10	121.8905	2.446	293	121.8741	3.343	491	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,1|N<3>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|F<1>,1|O<2>,2|C<3>,5|H<1>}	125.2028	0.308	5	124.4558	0.885	10	121.8905	2.446	293	121.8741	3.343	491	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]N[6]HH)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,2|N<3>,6|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,1|H<1>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]N[6]HH)2{1|F<1>,1|H<1>,2|C<4>,3|C<3>}	124.6305	0.392	2	124.6305	0.154	2	121.8905	2.446	293	121.8741	3.343	491	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]CC)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(N[6]C[6]2){1|C<3>,1|H<1>,1|O<2>,6|C<4>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|I<1>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]CC)2{1|C<4>,1|I<1>,2|C<3>,5|H<1>}	123.1130	0.000	1	123.1130	0.000	1	121.8905	2.446	293	121.8741	3.343	491	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]C)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[6]C[6]2){1|C<2>,1|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<3>,1|O<2>,2|C<3>,5|H<1>}	123.5160	0.000	1	123.5285	0.000	2	121.8905	2.446	293	121.8741	3.343	491	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]C)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[6]C[6]2){1|C<3>,3|C<4>,5|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<3>,1|O<2>,2|C<3>,5|H<1>}	123.5410	0.000	1	123.5285	0.000	2	121.8905	2.446	293	121.8741	3.343	491	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<3>,1|O<2>,2|C<3>,5|H<1>}	123.9710	0.000	1	121.9968	2.398	4	121.8905	2.446	293	121.8741	3.343	491	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,3|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{2|C<3>,2|N<3>,5|H<1>}	121.8785	0.500	2	121.9968	2.398	4	121.8905	2.446	293	121.8741	3.343	491	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|N<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{2|C<3>,2|N<3>,5|H<1>}	120.2590	0.000	1	121.9968	2.398	4	121.8905	2.446	293	121.8741	3.343	491	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]N[6])(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2){2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]N[6])(H){1|H<1>,1|O<2>,1|S<2>,2|C<3>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{2|C<3>,2|O<2>,5|H<1>}	123.0870	0.000	1	123.0870	0.000	1	121.8905	2.446	293	121.8741	3.343	491	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<3>,1|O<2>,2|C<3>,5|H<1>}	123.2898	0.466	12	123.2853	0.148	22	121.8905	2.446	293	121.8741	3.343	491	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<4>,1|O<2>,2|C<3>,5|H<1>}	123.2799	0.285	10	123.2853	0.148	22	121.8905	2.446	293	121.8741	3.343	491	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]N[6]HH)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2){1|C<3>,2|N<3>,6|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]N[6]HH)2{1|C<4>,1|H<1>,1|O<2>,4|C<3>}	123.2590	0.085	2	123.2590	0.007	2	121.8905	2.446	293	121.8741	3.343	491	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]O)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]CC)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2){1|C<3>,1|H<1>,1|O<2>,6|C<4>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]CC)2{1|C<4>,1|O<2>,2|C<3>,5|H<1>}	122.8900	0.000	1	122.8900	0.000	1	121.8905	2.446	293	121.8741	3.343	491	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<2>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<3>,1|S<2>,2|C<3>,5|H<1>}	123.5570	0.010	2	123.3084	0.179	9	121.8905	2.446	293	121.8741	3.343	491	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<2>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<4>,1|S<2>,2|C<3>,5|H<1>}	123.2374	0.461	7	123.3084	0.179	9	121.8905	2.446	293	121.8741	3.343	491	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]N[6])(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]N[6])(H){1|C<3>,1|H<1>,1|N<3>,4|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<3>,2|C<3>,6|H<1>}	121.3690	0.000	1	121.3690	0.000	1	121.8905	2.446	293	121.8741	3.343	491	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]C)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,3|C<4>,5|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]C)(H){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<3>,2|C<3>,6|H<1>}	121.9653	0.739	3	122.0272	0.379	4	121.8905	2.446	293	121.8741	3.343	491	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]C)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,3|C<4>,5|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]C)(H){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<4>,2|C<3>,6|H<1>}	122.2130	0.000	1	122.0272	0.379	4	121.8905	2.446	293	121.8741	3.343	491	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]Cl)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|Cl<1>,1|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]Cl)(H){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<4>,2|C<3>,6|H<1>}	120.7263	1.802	3	121.2722	3.357	4	121.8905	2.446	293	121.8741	3.343	491	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]Cl)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|Cl<1>,1|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]Cl)(H){1|Cl<1>,1|C<3>,1|H<1>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<3>,2|C<3>,6|H<1>}	122.9100	0.000	1	121.2722	3.357	4	121.8905	2.446	293	121.8741	3.343	491	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]F)(H)	N[6](C[6a]C[6a]2)(C[6]N[6]HH)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,1|F<1>,2|N<3>,5|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]F)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]N[6]HH)2{1|C<4>,3|C<3>,3|H<1>}	116.6660	0.000	1	116.6660	0.000	1	121.8905	2.446	293	121.8741	3.343	491	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH){3|C<3>,5|H<1>}	121.5965	2.075	2	121.5965	4.307	2	121.8905	2.446	293	121.8741	3.343	491	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]HH)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]HH){1|C<4>,1|P<4>,2|C<3>,4|H<1>}	121.8520	0.803	2	121.4825	3.496	4	121.8905	2.446	293	121.8741	3.343	491	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]HH)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|N<3>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]HH){2|H<1>,5|C<3>}	121.1130	3.049	2	121.4825	3.496	4	121.8905	2.446	293	121.8741	3.343	491	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]S[6]HH)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|S<2>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]S[6]HH){2|H<1>,4|C<3>}	121.6225	0.810	2	121.6225	0.656	2	121.8905	2.446	293	121.8741	3.343	491	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<3>,2|C<3>,6|H<1>}	120.7887	0.442	4	121.3698	1.977	148	121.8905	2.446	293	121.8741	3.343	491	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<3>,2|C<3>,6|H<1>}	122.4550	0.000	1	121.3698	1.977	148	121.8905	2.446	293	121.8741	3.343	491	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<3>,2|C<3>,6|H<1>}	121.3715	1.404	2	121.3698	1.977	148	121.8905	2.446	293	121.8741	3.343	491	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|H<1>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<4>,2|C<3>,6|H<1>}	121.2737	0.967	4	121.3698	1.977	148	121.8905	2.446	293	121.8741	3.343	491	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,1|H<1>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<3>,2|C<3>,6|H<1>}	121.0380	0.069	2	121.3698	1.977	148	121.8905	2.446	293	121.8741	3.343	491	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,1|H<1>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<4>,2|C<3>,6|H<1>}	121.2028	1.677	12	121.3698	1.977	148	121.8905	2.446	293	121.8741	3.343	491	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|O<2>,2|C<3>,6|H<1>}	121.6335	0.977	2	121.3698	1.977	148	121.8905	2.446	293	121.8741	3.343	491	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<3>,2|C<3>,6|H<1>}	121.3295	1.190	13	121.3698	1.977	148	121.8905	2.446	293	121.8741	3.343	491	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<4>,2|C<3>,6|H<1>}	121.2120	0.882	2	121.3698	1.977	148	121.8905	2.446	293	121.8741	3.343	491	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|O<2>,2|C<3>,6|H<1>}	121.3884	1.848	8	121.3698	1.977	148	121.8905	2.446	293	121.8741	3.343	491	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<3>,2|C<3>,6|H<1>}	121.6205	1.905	14	121.3698	1.977	148	121.8905	2.446	293	121.8741	3.343	491	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<4>,2|C<3>,6|H<1>}	121.4275	1.798	8	121.3698	1.977	148	121.8905	2.446	293	121.8741	3.343	491	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{2|C<3>,2|C<4>,5|H<1>}	121.9515	1.848	2	121.3698	1.977	148	121.8905	2.446	293	121.8741	3.343	491	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<3>,2|C<3>,6|H<1>}	121.8365	2.856	2	121.3698	1.977	148	121.8905	2.446	293	121.8741	3.343	491	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|O<2>,2|C<3>,6|H<1>}	121.6743	0.588	6	121.3698	1.977	148	121.8905	2.446	293	121.8741	3.343	491	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<4>,2|C<3>,6|H<1>}	121.5480	0.000	1	121.3698	1.977	148	121.8905	2.446	293	121.8741	3.343	491	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<3>,2|C<3>,6|H<1>}	121.2728	1.550	27	121.3698	1.977	148	121.8905	2.446	293	121.8741	3.343	491	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<4>,2|C<3>,6|H<1>}	121.3085	1.659	10	121.3698	1.977	148	121.8905	2.446	293	121.8741	3.343	491	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{3|C<3>,6|H<1>}	121.4857	1.184	4	121.3698	1.977	148	121.8905	2.446	293	121.8741	3.343	491	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|H<1>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<3>,2|C<3>,6|H<1>}	121.2615	3.108	2	121.3698	1.977	148	121.8905	2.446	293	121.8741	3.343	491	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<4>,2|C<3>,6|H<1>}	121.6902	0.750	10	121.3698	1.977	148	121.8905	2.446	293	121.8741	3.343	491	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|O<2>,2|C<3>,6|H<1>}	121.2110	1.363	4	121.3698	1.977	148	121.8905	2.446	293	121.8741	3.343	491	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,3|C<4>,5|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<3>,2|C<3>,6|H<1>}	121.4563	0.604	3	121.3698	1.977	148	121.8905	2.446	293	121.8741	3.343	491	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,3|C<4>,5|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<4>,2|C<3>,6|H<1>}	120.2670	0.000	1	121.3698	1.977	148	121.8905	2.446	293	121.8741	3.343	491	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|Cl<1>,1|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<4>,2|C<3>,6|H<1>}	121.2600	1.279	3	121.3698	1.977	148	121.8905	2.446	293	121.8741	3.343	491	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|Cl<1>,1|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|H<1>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<3>,2|C<3>,6|H<1>}	119.3300	0.000	1	121.3698	1.977	148	121.8905	2.446	293	121.8741	3.343	491	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]N[6]HH)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,1|F<1>,2|N<3>,5|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]N[6]HH)2{1|C<4>,3|C<3>,3|H<1>}	124.7690	0.000	1	121.3742	4.778	13	121.8905	2.446	293	121.8741	3.343	491	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]N[6]HH)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,2|N<3>,6|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]N[6]HH)2{1|C<4>,2|H<1>,4|C<3>}	120.8960	3.149	2	121.3742	4.778	13	121.8905	2.446	293	121.8741	3.343	491	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]N[6]HH)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,2|N<3>,6|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]N[6]HH)2{1|C<4>,2|H<1>,4|C<3>}	121.0853	1.261	4	121.3742	4.778	13	121.8905	2.446	293	121.8741	3.343	491	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]N[6]HH)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,2|N<3>,6|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]N[6]HH)2{1|C<4>,2|H<1>,4|C<3>}	121.3075	3.770	2	121.3742	4.778	13	121.8905	2.446	293	121.8741	3.343	491	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]N[6]HH)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,2|N<3>,6|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]N[6]HH)2{1|C<4>,3|C<3>,3|H<1>}	121.0300	3.538	2	121.3742	4.778	13	121.8905	2.446	293	121.8741	3.343	491	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]N[6]HH)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,2|N<3>,6|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|H<1>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]N[6]HH)2{1|C<4>,3|C<3>,3|H<1>}	121.1435	1.802	2	121.3742	4.778	13	121.8905	2.446	293	121.8741	3.343	491	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]N)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<3>,2|C<3>,6|H<1>}	120.9525	0.159	2	120.9525	0.025	2	121.8905	2.446	293	121.8741	3.343	491	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]O)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]O)(H){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<3>,2|C<3>,6|H<1>}	117.8780	0.000	1	117.8780	0.000	1	121.8905	2.446	293	121.8741	3.343	491	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]N[6a]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|N<2>,2|C<4>,6|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]N[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<3>,2|C<3>,6|H<1>}	122.1335	0.489	2	122.1335	0.239	2	121.8905	2.446	293	121.8741	3.343	491	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])2(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]N[6])2(H){1|C<3>,1|H<1>,1|N<3>,4|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<3>,2|C<3>,6|H<1>}	122.0690	0.000	1	122.0690	0.000	1	121.8905	2.446	293	121.8741	3.343	491	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])2(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,1|N<3>,4|C<4>,5|H<1>}	C[6a](C[6a]C[6a]N[6])2(H){1|C<3>,2|N<3>,4|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<4>,1|N<3>,2|C<3>,5|H<1>}	122.5810	1.266	3	122.5810	1.604	3	121.8905	2.446	293	121.8741	3.343	491	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]O)(I)	N[6](C[6a]C[6a]2)(C[6]C[6]CC)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(N[6]C[6]2){1|C<3>,1|H<1>,1|O<2>,6|C<4>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]O)(I){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]CC)2{1|C<4>,1|I<1>,2|C<3>,5|H<1>}	119.5890	0.000	1	119.5890	0.000	1	119.5890	0.000	1	121.8741	3.343	491	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]F)(C[6a]N[6a]O)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(N[6a]N[6a]H)(O)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]F)(C[6a]N[6a]O)(N[6]C[6]2){1|F<1>,1|N<2>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]N[6])(N[6a]N[6a]H)(O){1|C<3>,1|F<1>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<3>,1|C<4>,1|F<1>,1|N<3>,1|O<1>,4|H<1>}	118.6220	0.000	1	118.6220	0.000	1	118.6220	0.000	1	121.8741	3.343	491	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:N[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(N[6]C[6]2)	C[6a](C[6a]N[6a]N[6])(C[6a]N[6a]O)(H)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(N[6]C[6]2){1|N<3>,2|C<4>,2|O<1>,4|H<1>}	C[6a](C[6a]N[6a]N[6])(C[6a]N[6a]O)(H){1|C<3>,4|C<4>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	125.4413	0.083	3	125.4447	0.005	4	125.4447	0.005	4	121.8741	3.343	491	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:N[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(N[6]C[6]2)	C[6a](C[6a]N[6a]N[6])(C[6a]N[6a]O)(H)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(N[6]C[6]2){1|N<3>,2|C<4>,2|O<1>,4|H<1>}	C[6a](C[6a]N[6a]N[6])(C[6a]N[6a]O)(H){1|C<3>,4|C<4>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|N<4>,2|C<3>,2|C<4>,4|H<1>}	125.4550	0.000	1	125.4447	0.005	4	125.4447	0.005	4	121.8741	3.343	491	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:S[6]-4:	C[6a](N[6]C[6]S[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]Cl)(H)	N[6](C[6a]C[6a]2)(C[6]N[6]CC)(S[6]N[6]OO)	C[6a](N[6]C[6]S[6])(C[6a]C[6a]H)2{2|Cl<1>,1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|O<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]Cl)(H){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]N[6]CC)(S[6]N[6]OO){3|C<3>,3|H<1>}	119.5575	5.225	2	119.5575	27.299	2	119.5575	27.299	2	121.8741	3.343	491	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:2:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:N[6]-2:	C[6a](N[6]C[5,6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(N[6]C[6,6])	C[6a](N[6]C[5,6]N[6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(N[6]C[6,6]){1|N<3>,1|O<1>,2|C<4>,3|H<1>,5|C<3>}	120.6300	2.124	2	120.6300	4.512	2	120.6300	4.512	2	120.3318	3.638	42	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:2:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:O[6]-2:	C[6a](N[6]C[5,6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[5,6]C[5,6]O[5]H)(C[6a]C[6a]2)(O[6]C[6])	C[6a](N[6]C[5,6]O[6])(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<2>}	N[6](C[5,6]C[5,6]O[5]H)(C[6a]C[6a]2)(O[6]C[6]){3|C<4>,3|H<1>,4|C<3>}	120.1815	0.575	2	120.1450	2.302	4	120.1288	4.183	6	120.3318	3.638	42	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:2:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:O[6]-2:	C[6a](N[6]C[5,6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[5,6]C[5,6]O[5]H)(C[6a]C[6a]2)(O[6]C[6])	C[6a](N[6]C[5,6]O[6])(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|C<4>,1|H<1>,1|O<2>}	N[6](C[5,6]C[5,6]O[5]H)(C[6a]C[6a]2)(O[6]C[6]){3|C<4>,3|H<1>,4|C<3>}	120.1085	2.563	2	120.1450	2.302	4	120.1288	4.183	6	120.3318	3.638	42	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:2:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:O[6]-2:	C[6a](N[6]C[5,6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(O[6]C[6])	C[6a](N[6]C[5,6]O[6])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(O[6]C[6]){1|C<4>,1|N<3>,1|O<1>,4|H<1>,6|C<3>}	120.0965	3.743	2	120.0965	14.008	2	120.1288	4.183	6	120.3318	3.638	42	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:2:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6]-4:C[6a]-3:N[6]-2:	C[6a](N[6]C[6,6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6])	C[6a](N[6]C[6,6]N[6])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	N[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]){1|N<3>,4|H<1>,6|C<3>}	120.3810	2.165	2	120.3810	4.688	2	120.3810	4.688	2	120.3318	3.638	42	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:2:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6]-4:C[6a]-3:O[6]-2:	C[6a](N[6]C[6,6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6,6])	C[6a](N[6]C[6,6]O[6])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	N[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6,6]){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	120.3475	3.167	2	120.3475	10.031	2	120.3475	10.031	2	120.3318	3.638	42	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:2:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:N[6]-2:	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6,6a]CC)(C[6a]C[6a]2)(N[6]C[6])	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	N[6](C[6]C[6,6a]CC)(C[6a]C[6a]2)(N[6]C[6]){1|C<4>,2|H<1>,4|C<3>}	120.2023	1.150	4	120.2023	1.322	4	120.2023	1.322	4	120.3318	3.638	42	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:2:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:O[6]-2:	C[6a](N[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[5a,6]C[6a]H)(C[6a]C[6a]2)(O[6]C[6])	C[6a](N[6]C[6]O[6])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	N[6](C[6]C[5a,6]C[6a]H)(C[6a]C[6a]2)(O[6]C[6]){2|C<4>,2|H<1>,6|C<3>}	120.7285	1.586	2	120.7285	2.516	2	120.3707	4.180	26	120.3318	3.638	42	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:2:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:O[6]-2:	C[6a](N[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]C[6])	C[6a](N[6]C[6]O[6])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	N[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]C[6]){1|C<4>,3|C<3>,4|H<1>}	120.6317	1.348	8	120.6317	1.816	8	120.3707	4.180	26	120.3318	3.638	42	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:2:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:O[6]-2:	C[6a](N[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6])	C[6a](N[6]C[6]O[6])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<2>}	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6]){3|H<1>,7|C<3>}	120.3035	3.084	2	120.2865	5.691	10	120.3707	4.180	26	120.3318	3.638	42	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:2:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:O[6]-2:	C[6a](N[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6])	C[6a](N[6]C[6]O[6])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6]){4|H<1>,6|C<3>}	120.4410	1.573	2	120.2865	5.691	10	120.3707	4.180	26	120.3318	3.638	42	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:2:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:O[6]-2:	C[6a](N[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6])	C[6a](N[6]C[6]O[6])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6]){1|C<4>,1|N<3>,3|H<1>,6|C<3>}	120.1697	2.725	4	120.2865	5.691	10	120.3707	4.180	26	120.3318	3.638	42	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:2:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:O[6]-2:	C[6a](N[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6])	C[6a](N[6]C[6]O[6])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6]){1|C<4>,3|H<1>,7|C<3>}	120.3485	4.105	2	120.2865	5.691	10	120.3707	4.180	26	120.3318	3.638	42	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:2:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:O[6]-2:	C[6a](N[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(O[6]C[6])	C[6a](N[6]C[6]O[6])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	N[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(O[6]C[6]){1|O<2>,2|C<4>,2|H<1>,5|C<3>}	119.9395	2.702	2	120.0435	7.309	6	120.3707	4.180	26	120.3318	3.638	42	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:2:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:O[6]-2:	C[6a](N[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(O[6]C[6])	C[6a](N[6]C[6]O[6])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	N[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(O[6]C[6]){1|S<4>,2|H<1>,3|C<4>,4|C<3>}	120.0955	3.121	4	120.0435	7.309	6	120.3707	4.180	26	120.3318	3.638	42	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[5a,6]CH)(C[6]C[6a]C[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6]C[5a,6]CH)(C[6]C[6a]C[6])(C[6a]C[6a]2){1|Cl<1>,2|H<1>,6|C<3>}	120.4655	0.910	2	120.4655	0.828	2	120.4104	0.519	7	119.5292	4.196	22	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6,6a]CH)(C[6]C[6a]C[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	N[6](C[6]C[6,6a]CH)(C[6]C[6a]C[6])(C[6a]C[6a]2){3|H<1>,6|C<3>}	120.7515	1.097	2	120.7515	1.203	2	120.4104	0.519	7	119.5292	4.196	22	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6,6a]CH)(C[6]C[6a]N[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6]C[6,6a]CH)(C[6]C[6a]N[6])(C[6a]C[6a]2){2|H<1>,6|C<3>}	120.2660	0.742	2	120.2660	0.551	2	120.4104	0.519	7	119.5292	4.196	22	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6,6a]HP)(C[6]C[6a]N[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|N<2>,1|P<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6]C[6,6a]HP)(C[6]C[6a]N[6])(C[6a]C[6a]2){2|H<1>,6|C<3>}	119.9070	0.000	1	119.9070	0.000	1	120.4104	0.519	7	119.5292	4.196	22	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:N[6]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:Br-1:	C[6,6]-4:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a,6a]Br)(N[6]C[6,6]C[6])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6])(Br)	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6a]C[6a,6a]Br)(N[6]C[6,6]C[6])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6])(Br){1|C<4>,2|H<1>,4|C<3>}	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6a]C[6a]2)(C[6]C[6]H){1|Br<1>,2|C<4>,3|H<1>,4|C<3>}	121.4950	0.000	1	121.4950	0.000	1	121.4950	0.000	1	119.5292	4.196	22	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:N[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6]-4:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a,6a]Br)(N[6]C[6,6]C[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N[6])(H)	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6a]C[6a,6a]Br)(N[6]C[6,6]C[6])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N[6])(H){1|Br<1>,1|C<4>,3|C<3>}	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6a]C[6a]2)(C[6]C[6]H){1|Br<1>,2|C<4>,3|H<1>,4|C<3>}	119.1400	0.000	1	119.1400	0.000	1	119.1400	0.000	1	119.5292	4.196	22	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	B[6]-4:C[6a]-3:N[6]-3:	C[6a](N[6]B[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](B[6]C[6a]2N[6])(C[6a]C[6a]2)(N[6]C[6]C)	C[6a](N[6]B[6]N[6])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|N<3>,2|H<1>}	N[6](B[6]C[6a]2N[6])(C[6a]C[6a]2)(N[6]C[6]C){1|N<2>,2|H<1>,8|C<3>}	120.7850	2.663	2	120.7850	7.091	2	120.7850	7.091	2	119.5292	4.196	22	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6,6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]C[5,6,6]C[6])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[5,6,6]C[6,6]N[5,6]O[5])(C[6a]C[6a]2)(C[6]C[6]O)	C[6a](N[6]C[5,6,6]C[6])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[5,6,6]C[6,6]N[5,6]O[5])(C[6a]C[6a]2)(C[6]C[6]O){3|H<1>,4|C<3>,5|C<4>}	116.0830	0.000	1	116.0830	0.000	1	116.0830	0.000	1	119.5292	4.196	22	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[6]-3:C[6a]-3:	C[6a](N[6]C[5,6]C[6])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[5,6]C[5]C[6]O[5])(C[6]C[5,6]O)(C[6a]C[6a]2)	C[6a](N[6]C[5,6]C[6])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[5,6]C[5]C[6]O[5])(C[6]C[5,6]O)(C[6a]C[6a]2){1|N<3>,1|O<1>,3|C<3>,3|C<4>,3|H<1>}	114.6455	0.496	2	114.6455	0.246	2	114.6455	0.246	2	119.5292	4.196	22	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6]-4:C[6]-3:C[6a]-3:	C[6a](N[6]C[6,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6]C[6,6,6a]C[6]H)(C[6]C[6a]C[6])(C[6a]C[6a]2)	C[6a](N[6]C[6,6]C[6])(C[6a]C[6a]H)2{3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	N[6](C[6,6]C[6,6,6a]C[6]H)(C[6]C[6a]C[6])(C[6a]C[6a]2){3|H<1>,8|C<3>}	120.7540	0.645	2	120.7540	0.416	2	120.7540	0.416	2	119.5292	4.196	22	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	S[6]-4:C[6]-3:C[6a]-3:	C[6a](N[6]C[6]S[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](S[6]C[6,6a]OO)(C[6]C[3]C[6])(C[6a]C[6a]2)	C[6a](N[6]C[6]S[6])(C[6a]C[6a]H)2{1|C<4>,1|H<1>,1|O<2>,2|O<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|S<4>,2|C<3>,2|H<1>}	N[6](S[6]C[6,6a]OO)(C[6]C[3]C[6])(C[6a]C[6a]2){2|C<4>,4|C<3>,4|H<1>}	119.2430	0.000	1	119.2430	0.000	1	119.3988	0.485	4	119.5292	4.196	22	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	S[6]-4:C[6]-3:C[6a]-3:	C[6a](N[6]C[6]S[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](S[6]C[6,6a]OO)(C[6]C[6a]C[6])(C[6a]C[6a]2)	C[6a](N[6]C[6]S[6])(C[6a]C[6a]H)2{2|H<1>,2|O<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	N[6](S[6]C[6,6a]OO)(C[6]C[6a]C[6])(C[6a]C[6a]2){3|H<1>,6|C<3>}	119.8845	0.542	2	119.8845	0.294	2	119.3988	0.485	4	119.5292	4.196	22	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	S[6]-4:C[6]-3:C[6a]-3:	C[6a](N[6]C[6]S[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]O)(H)	N[6](S[6]C[6,6a]OO)(C[6]C[3]C[6])(C[6a]C[6a]2)	C[6a](N[6]C[6]S[6])(C[6a]C[6a]H)2{1|C<4>,1|H<1>,1|O<2>,2|O<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]O)(H){1|S<4>,2|C<3>,2|H<1>}	N[6](S[6]C[6,6a]OO)(C[6]C[3]C[6])(C[6a]C[6a]2){2|C<4>,4|C<3>,4|H<1>}	118.5830	0.000	1	118.5830	0.000	1	119.3988	0.485	4	119.5292	4.196	22	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	S[6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]C[6]S[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](S[6]C[6,6a]OO)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]C[6]S[6])(C[6a]C[6a]H)2{1|C<4>,1|H<1>,1|N<3>,2|O<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|S<4>,2|C<3>,2|H<1>}	N[6](S[6]C[6,6a]OO)(C[6a]C[6a]2)(C[6]C[6]C){3|H<1>,4|C<3>}	120.1090	0.000	1	120.1090	0.000	1	120.0440	0.008	2	119.5292	4.196	22	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	S[6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]C[6]S[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]N)(H)	N[6](S[6]C[6,6a]OO)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]C[6]S[6])(C[6a]C[6a]H)2{1|C<4>,1|H<1>,1|N<3>,2|O<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]N)(H){1|S<4>,2|C<3>,2|H<1>}	N[6](S[6]C[6,6a]OO)(C[6a]C[6a]2)(C[6]C[6]C){3|H<1>,4|C<3>}	119.9790	0.000	1	119.9790	0.000	1	120.0440	0.008	2	119.5292	4.196	22	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:F-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]F)(F)	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(N[6]C[6]2){1|C<4>,1|F<1>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]F)(F){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH){1|F<1>,3|H<1>,6|C<3>}	118.7657	0.505	6	118.7657	0.255	6	120.1232	6.366	17	121.2267	6.151	101	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:F-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(F)	N[6](C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(N[6]C[6]2){2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(F){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,1|F<1>,4|H<1>,5|C<3>}	119.7010	0.000	1	119.7010	0.000	1	120.1232	6.366	17	121.2267	6.151	101	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:F-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(F)	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(N[6]C[6]2){1|C<4>,1|F<1>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(F){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH){1|F<1>,3|H<1>,6|C<3>}	120.2803	0.576	3	119.7280	0.763	6	120.1232	6.366	17	121.2267	6.151	101	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:F-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(F)	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(N[6]C[6]2){1|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(F){1|C<3>,1|F<1>,1|H<1>,2|C<4>}	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH){1|F<1>,3|H<1>,6|C<3>}	119.1757	0.812	3	119.7280	0.763	6	120.1232	6.366	17	121.2267	6.151	101	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:F-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]F)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(F)	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6a](C[6a]C[6a]F)2(N[6]C[6]2){1|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(F){1|C<3>,1|F<1>,1|H<1>,2|C<4>}	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH){2|F<1>,2|H<1>,6|C<3>}	122.8578	4.269	4	122.8578	18.228	4	120.1232	6.366	17	121.2267	6.151	101	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[5a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2){2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	N[6](C[6]C[5a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH){2|C<4>,4|C<3>,5|H<1>}	122.6020	0.000	1	122.6020	0.000	1	121.5031	5.905	78	121.2267	6.151	101	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6,6a]HN)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	N[6](C[6]C[6,6a]HN)(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,3|H<1>,4|C<3>}	122.5130	0.000	1	122.5130	0.000	1	121.5031	5.905	78	121.2267	6.151	101	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]F)(H)	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(N[6]C[6]2){1|C<4>,1|F<1>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]F)(H){1|C<3>,1|F<1>,1|H<1>,2|C<4>}	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH){1|F<1>,3|H<1>,6|C<3>}	123.1843	0.135	3	123.1843	0.018	3	121.5031	5.905	78	121.2267	6.151	101	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(N[6]C[6]2){2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,1|H<1>,2|C<4>}	N[6](C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,1|F<1>,4|H<1>,5|C<3>}	124.6730	0.000	1	124.6730	0.000	1	121.5031	5.905	78	121.2267	6.151	101	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(N[6]C[6]2){1|C<4>,1|F<1>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,1|H<1>,2|C<4>}	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH){1|F<1>,3|H<1>,6|C<3>}	124.4153	0.314	6	124.4222	0.252	9	121.5031	5.905	78	121.2267	6.151	101	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(N[6]C[6]2){1|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|F<1>}	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH){1|F<1>,3|H<1>,6|C<3>}	124.4360	0.871	3	124.4222	0.252	9	121.5031	5.905	78	121.2267	6.151	101	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]Br)(H)	N[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(N[6]C[6]2){1|Br<1>,1|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	N[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH){1|N<3>,1|S<4>,2|C<3>,2|C<4>,3|H<1>}	116.5220	0.000	1	116.5220	0.000	1	121.5031	5.905	78	121.2267	6.151	101	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]F)(H)	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<4>,1|F<1>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]F)(H){1|C<3>,1|F<1>,1|H<1>,2|C<4>}	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH){4|H<1>,6|C<3>}	120.7360	0.000	1	120.7360	0.000	1	121.5031	5.905	78	121.2267	6.151	101	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	N[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	121.3650	2.486	2	121.3650	6.181	2	121.5031	5.905	78	121.2267	6.151	101	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]N[6]HH)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]N[6]HH){1|C<4>,1|N<3>,1|S<4>,2|H<1>,3|C<3>}	121.3770	0.464	2	121.3770	0.215	2	121.5031	5.905	78	121.2267	6.151	101	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[5a,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6]C[5a,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<2>,4|C<3>,4|H<1>}	121.2110	2.478	2	121.2110	6.139	2	121.5031	5.905	78	121.2267	6.151	101	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[5a,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	N[6](C[6]C[5a,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH){1|N<3>,3|C<3>,4|H<1>}	120.8590	3.507	2	120.8590	12.301	2	121.5031	5.905	78	121.2267	6.151	101	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]N[6]HH)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,1|H<1>,2|C<4>}	N[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]N[6]HH){2|C<4>,2|H<1>,4|C<3>}	121.0810	1.776	2	121.0613	1.962	4	121.5031	5.905	78	121.2267	6.151	101	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]N[6]HH)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	N[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]N[6]HH){2|C<4>,2|H<1>,4|C<3>}	121.0415	1.653	2	121.0613	1.962	4	121.5031	5.905	78	121.2267	6.151	101	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]O[6]HH)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|O<2>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,1|H<1>,2|C<4>}	N[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]O[6]HH){2|H<1>,4|C<3>}	120.9660	4.729	2	120.9660	22.365	2	121.5031	5.905	78	121.2267	6.151	101	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<2>,1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]HH){4|C<3>,4|H<1>}	121.0657	1.268	4	121.2575	2.859	12	121.5031	5.905	78	121.2267	6.151	101	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]HH){4|C<3>,4|H<1>}	121.3593	1.682	4	121.2575	2.859	12	121.5031	5.905	78	121.2267	6.151	101	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]HH){4|C<3>,4|H<1>}	121.3475	2.444	4	121.2575	2.859	12	121.5031	5.905	78	121.2267	6.151	101	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6,6a]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	N[6](C[6]C[6,6a]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH){4|H<1>,6|C<3>}	122.0975	0.091	2	121.5968	4.085	4	121.5031	5.905	78	121.2267	6.151	101	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6,6a]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6]C[6,6a]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH){1|O<2>,4|H<1>,6|C<3>}	121.0960	3.353	2	121.5968	4.085	4	121.5031	5.905	78	121.2267	6.151	101	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6,6a]C[5a]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6]C[6,6a]C[5a]H)(C[6a]C[6a]2)(C[6]C[6]HH){1|N<3>,4|H<1>,5|C<3>}	120.7022	3.987	4	120.7022	15.893	4	121.5031	5.905	78	121.2267	6.151	101	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH){1|N<3>,5|C<3>,5|H<1>}	121.0310	2.338	2	121.0310	5.465	2	121.5031	5.905	78	121.2267	6.151	101	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<4>,1|F<1>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,1|H<1>,2|C<4>}	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH){4|H<1>,6|C<3>}	121.7810	0.000	1	120.4380	8.493	7	121.5031	5.905	78	121.2267	6.151	101	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,1|H<1>,2|C<4>}	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH){4|H<1>,6|C<3>}	120.7220	3.868	2	120.4380	8.493	7	121.5031	5.905	78	121.2267	6.151	101	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH){4|H<1>,6|C<3>}	119.9603	3.323	4	120.4380	8.493	7	121.5031	5.905	78	121.2267	6.151	101	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]O[6]HH)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|O<2>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	N[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]O[6]HH){2|H<1>,4|C<3>}	121.2780	3.653	2	121.2780	13.344	2	121.5031	5.905	78	121.2267	6.151	101	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH){1|N<3>,4|H<1>,5|C<3>}	121.0825	3.331	2	121.0825	11.097	2	121.5031	5.905	78	121.2267	6.151	101	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|N<3>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	N[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(C[6]C[6]HH){2|H<1>,7|C<3>}	120.6370	3.113	2	120.7793	6.351	14	121.5031	5.905	78	121.2267	6.151	101	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|N<3>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(C[6]C[6]HH){2|H<1>,7|C<3>}	120.8030	2.573	12	120.7793	6.351	14	121.5031	5.905	78	121.2267	6.151	101	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:4:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[3,6]-4:C[6a]-3:C[6]-4:	C[6a](N[6]C[3,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[3,6]C[3,6]C[3]H)(C[6a]C[6a]2)(C[6]N[6]CC)	C[6a](N[6]C[3,6]C[6])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,3|C<4>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|H<1>,2|C<4>}	N[6](C[3,6]C[3,6]C[3]H)(C[6a]C[6a]2)(C[6]N[6]CC){1|C<4>,3|H<1>,4|C<3>}	120.3085	4.598	2	120.3085	21.145	2	120.3085	21.145	2	121.2267	6.151	101	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:4:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:C[6]-4:	C[6a](N[6]C[5,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[5,6]C[5,6,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6a](N[6]C[5,6]C[6])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	N[6](C[5,6]C[5,6,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH){1|N<3>,1|O<2>,4|C<3>,5|H<1>}	121.2670	2.164	2	121.2670	4.682	2	120.9852	2.933	4	121.2267	6.151	101	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:4:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:C[6]-4:	C[6a](N[6]C[5,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[5,6]C[5,6a]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6a](N[6]C[5,6]C[6])(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	N[6](C[5,6]C[5,6a]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]HH){2|C<4>,4|H<1>,5|C<3>}	119.3250	0.000	1	119.3250	0.000	1	120.9852	2.933	4	121.2267	6.151	101	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:3:4:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:C[6]-4:	C[6a](N[6]C[5,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]O)(H)	N[6](C[5,6]C[5,6a]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6a](N[6]C[5,6]C[6])(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]O)(H){1|C<3>,2|C<4>,2|H<1>}	N[6](C[5,6]C[5,6a]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]HH){2|C<4>,4|H<1>,5|C<3>}	122.0820	0.000	1	122.0820	0.000	1	120.9852	2.933	4	121.2267	6.151	101	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:4:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6]-4:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[5,6]HH)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6]C[5,6]HH)2(C[6a]C[6a]2){1|C<4>,4|C<3>,4|H<1>}	121.4560	0.413	2	121.4560	0.171	2	120.7930	3.891	5	120.7052	6.632	13	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:4:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6]-4:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]HH)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|O<2>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	N[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]HH)(C[6a]C[6a]2){2|H<1>,6|C<3>}	120.8565	3.521	2	120.8565	12.395	2	120.7930	3.891	5	120.7052	6.632	13	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:4:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6]-4:C[6a]-3:	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6]N[6,6]HH)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,2|C<4>,2|N<3>,6|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	N[6](C[6]N[6,6]HH)2(C[6a]C[6a]2){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	119.3400	0.000	1	119.3400	0.000	1	120.7930	3.891	5	120.7052	6.632	13	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:4:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[6]-4:C[6a]-3:	C[6a](N[6]C[5,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[5,6]C[5]C[6]O[5])(C[6]C[6,6a]HH)(C[6a]C[6a]2)	C[6a](N[6]C[5,6]C[6])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	N[6](C[5,6]C[5]C[6]O[5])(C[6]C[6,6a]HH)(C[6a]C[6a]2){1|N<2>,1|O<1>,3|H<1>,6|C<3>}	120.1320	4.537	2	120.1320	20.583	2	120.6917	13.560	4	120.7052	6.632	13	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:4:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[6]-4:C[6a]-3:	C[6a](N[6]C[5,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]HH)(C[6a]C[6a]2)	C[6a](N[6]C[5,6]C[6])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]HH)(C[6a]C[6a]2){2|C<4>,4|C<3>,4|H<1>}	121.2515	4.341	2	121.2515	18.844	2	120.6917	13.560	4	120.7052	6.632	13	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:4:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6]-4:C[6]-4:C[6a]-3:	C[6a](N[6]C[6,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6]C[6,6]O[6]H)(C[6]C[5,6]C[6a]H)(C[6a]C[6a]2)	C[6a](N[6]C[6,6]C[6])(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	N[6](C[6,6]C[6,6]O[6]H)(C[6]C[5,6]C[6a]H)(C[6a]C[6a]2){2|C<4>,3|H<1>,7|C<3>}	120.3485	3.350	2	120.3485	11.220	2	120.6090	7.756	4	120.7052	6.632	13	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	4:4:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6]-4:C[6]-4:C[6a]-3:	C[6a](N[6]C[6,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6,6a]HH)(C[6a]C[6a]2)	C[6a](N[6]C[6,6]C[6])(C[6a]C[6a]H)2{1|N<3>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6,6a]HH)(C[6a]C[6a]2){1|C<4>,2|H<1>,6|C<3>}	120.8695	3.432	2	120.8695	11.776	2	120.6090	7.756	4	120.7052	6.632	13	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:2:	3:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OC)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,1|N<3>,5|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OC){1|H<1>,1|O<2>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|O<2>,1|S<2>,3|H<1>,6|C<3>}	121.7160	0.000	1	121.7160	0.000	1	121.7160	0.000	1	121.7160	0.000	1	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:2:	3:3:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:N-2:	C[6]-3:C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(NC)	N[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[6]C[6]2){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(NC){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HO){1|N<2>,3|H<1>,6|C<3>}	120.4690	0.000	1	120.4690	0.000	1	120.4690	0.000	1	118.5575	7.308	2	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:2:	3:3:4:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	N[6]-3:C[6a]-3:C[6]-4:	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OH)	N[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]HO)	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	N[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]HO){1|H<1>,1|O<2>,2|N<2>,5|C<3>}	116.6460	0.000	1	116.6460	0.000	1	116.6460	0.000	1	118.5575	7.308	2	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:2:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N[6])(CN)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]H)(N[6]C[6]2){2|C<3>,3|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N[6])(CN){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<2>,1|O<2>,2|C<3>,5|H<1>}	118.0520	0.000	1	118.0520	0.000	1	118.0520	0.000	1	118.8045	2.162	48	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:2:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]F)(N[6]C[6]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[6])(OC)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]F)(N[6]C[6]2){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[6])(OC){1|F<1>,3|C<3>,3|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<4>,1|F<1>,1|N<4>,1|O<2>,2|C<3>,3|H<1>}	118.8060	0.000	1	118.8060	0.000	1	118.8060	0.000	1	118.8045	2.162	48	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:2:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]N[6])(CN)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2){2|C<3>,3|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]N[6])(CN){1|C<3>,3|H<1>,4|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<2>,1|N<3>,2|C<3>,5|H<1>}	118.9965	0.325	2	118.9965	0.105	2	119.2350	0.100	5	118.8045	2.162	48	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:2:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]C)(CN)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,3|C<4>,5|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]C)(CN){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<2>,1|O<2>,2|C<3>,5|H<1>}	119.3010	0.000	1	119.3010	0.000	1	119.2350	0.100	5	118.8045	2.162	48	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:2:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CN)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2){2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CN){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<2>,1|C<4>,2|C<3>,5|H<1>}	119.2250	0.000	1	119.2250	0.000	1	119.2350	0.100	5	118.8045	2.162	48	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:2:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])2(CN)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,1|N<3>,3|C<4>,4|H<1>}	C[6a](C[6a]C[6a]N[6])2(CN){1|C<3>,2|H<1>,4|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<2>,1|O<2>,2|C<3>,5|H<1>}	119.6560	0.000	1	119.6560	0.000	1	119.2350	0.100	5	118.8045	2.162	48	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:2:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])2(NN)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(N[6]C[6]2){1|Br<1>,1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]N[6])2(NN){1|C<3>,2|F<1>,4|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|F<1>,1|N<2>,1|O<2>,2|C<3>,4|H<1>}	119.7057	1.122	3	119.7057	1.259	3	119.7057	1.259	3	118.8045	2.162	48	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:2:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OC)	N[6](C[6a]C[6a]2)(C[6]C[6]CC)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2){1|C<3>,1|H<1>,1|O<2>,6|C<4>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]CC)2{1|C<4>,1|O<2>,2|C<3>,5|H<1>}	119.0930	0.000	1	119.0930	0.000	1	118.9852	2.917	29	118.8045	2.162	48	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:2:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OC)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<3>,1|O<2>,2|C<3>,5|H<1>}	118.7100	0.447	12	118.5580	0.222	23	118.9852	2.917	29	118.8045	2.162	48	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:2:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OC)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<4>,1|O<2>,2|C<3>,5|H<1>}	118.3502	0.461	10	118.5580	0.222	23	118.9852	2.917	29	118.8045	2.162	48	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:2:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OC)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2){2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{2|C<3>,2|O<2>,5|H<1>}	118.8110	0.000	1	118.5580	0.222	23	118.9852	2.917	29	118.8045	2.162	48	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:2:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OC)	N[6](C[6a]C[6a]2)(C[6]N[6]HH)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2){1|C<3>,2|N<3>,6|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]N[6]HH)2{1|C<4>,1|H<1>,1|O<2>,4|C<3>}	118.2637	0.447	3	118.2637	0.200	3	118.9852	2.917	29	118.8045	2.162	48	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:2:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]Cl)(OC)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(N[6]C[6]2){1|Cl<1>,1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]Cl)(OC){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<3>,2|C<3>,2|O<2>,4|H<1>}	124.9270	0.167	2	124.9270	0.028	2	118.9852	2.917	29	118.8045	2.162	48	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:2:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(SC[6a])	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(SC[6a]){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<3>,1|S<2>,2|C<3>,5|H<1>}	117.3450	0.232	2	117.7662	0.306	9	117.7662	0.306	9	118.8045	2.162	48	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:2:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(SC[6a])	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(SC[6a]){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<4>,1|S<2>,2|C<3>,5|H<1>}	117.8866	0.568	7	117.7662	0.306	9	117.7662	0.306	9	118.8045	2.162	48	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:3:	3:4:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6]-4:N[6]-3:	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(NOO)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|N<2>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(NOO){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	119.7140	0.000	1	120.6385	1.709	2	120.6385	1.709	2	120.6385	1.709	2	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:3:	3:4:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6]-4:N[6]-3:	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(NOO)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(NOO){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	121.5630	0.000	1	120.6385	1.709	2	120.6385	1.709	2	120.6385	1.709	2	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6a,6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]2)	C[6a](C[6a]C[6a,6a]N[6])(C[6a]C[6a]2)(C[6a]N[6a]H)	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]2){1|N<2>,2|C<4>,4|C<3>,6|H<1>}	C[6a](C[6a]C[6a,6a]N[6])(C[6a]C[6a]2)(C[6a]N[6a]H){2|C<4>,2|H<1>,4|C<3>}	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2{1|C<4>,4|C<3>,4|H<1>}	125.2010	0.000	1	125.2010	0.000	1	125.2010	0.000	1	119.3008	4.932	35	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6a,6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(N[6]C[6]2)	C[6a](C[6a]C[6a,6a]N[6])(C[6a]C[6a]H)(NCH)	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(N[6]C[6]2){1|N<2>,2|C<3>,2|C<4>,6|H<1>}	C[6a](C[6a]C[6a,6a]N[6])(C[6a]C[6a]H)(NCH){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2{1|N<3>,1|O<2>,3|C<3>,4|H<1>}	116.1950	0.000	1	116.1950	0.000	1	116.1950	0.000	1	119.3008	4.932	35	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6])(NCH)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(N[6]C[6]2){2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6])(NCH){2|C<4>,2|H<1>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<3>,1|O<2>,2|C<3>,5|H<1>}	118.5800	0.000	1	118.5800	0.000	1	118.5800	0.000	1	119.3008	4.932	35	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a,6a]N[5])(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6])(N[5]C[5]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a,6a]N[5])(C[6a]C[6a]H)(N[6]C[6]2){1|C<2>,2|C<3>,3|C<4>,5|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6])(N[5]C[5]2){1|N<3>,3|C<3>,3|C<4>,4|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<4>,1|N<3>,2|C<3>,5|H<1>}	119.1545	0.818	2	119.5049	1.066	10	119.5049	1.066	10	119.3008	4.932	35	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a,6a]N[5])(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6])(N[5]C[5]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a,6a]N[5])(C[6a]C[6a]H)(N[6]C[6]2){1|C<2>,2|C<3>,3|C<4>,5|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6])(N[5]C[5]2){1|N<3>,3|C<3>,3|C<4>,4|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<3>,1|O<2>,2|C<3>,5|H<1>}	118.9968	0.486	4	119.5049	1.066	10	119.5049	1.066	10	119.3008	4.932	35	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a,6a]N[5])(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6])(N[5]C[5]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a,6a]N[5])(C[6a]C[6a]H)(N[6]C[6]2){3|C<3>,3|C<4>,5|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6])(N[5]C[5]2){1|N<3>,3|C<3>,3|C<4>,5|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<3>,1|O<2>,2|C<3>,5|H<1>}	119.2295	1.158	2	119.5049	1.066	10	119.5049	1.066	10	119.3008	4.932	35	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a,6a]N[5])(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6])(N[5]C[5]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a,6a]N[5])(C[6a]C[6a]H)(N[6]C[6]2){3|C<3>,3|C<4>,5|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6])(N[5]C[5]2){1|Pd<6>,1|N<3>,3|C<3>,3|C<4>,4|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<4>,1|N<3>,2|C<3>,5|H<1>}	121.1470	0.221	2	119.5049	1.066	10	119.5049	1.066	10	119.3008	4.932	35	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(BC[6a]2)	N[6](C[6a]C[6a]2)(C[6]C[6]CC)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,2|H<1>,6|C<4>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(BC[6a]2){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]CC)2{1|B<3>,1|C<4>,2|C<3>,5|H<1>}	119.0750	0.000	1	119.0750	0.000	1	118.7165	0.257	2	119.3008	4.932	35	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(BOO)	N[6](C[6a]C[6a]2)(C[6]C[6]CC)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,2|H<1>,6|C<4>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(BOO){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]CC)2{1|B<3>,1|C<4>,2|C<3>,5|H<1>}	118.3580	0.000	1	118.3580	0.000	1	118.7165	0.257	2	119.3008	4.932	35	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]O)(B[5]O[5]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,2|C<4>,3|O<2>,5|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]O)(B[5]O[5]2){1|C<3>,2|H<1>,4|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|B<3>,1|O<2>,2|C<3>,5|H<1>}	116.7590	0.000	1	116.7590	0.000	1	116.7590	0.000	1	119.3008	4.932	35	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCC)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCC){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<4>,3|C<3>,5|H<1>}	118.5600	0.000	1	118.5600	0.000	1	118.9513	1.002	8	119.3008	4.932	35	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCH)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCH){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|O<2>,3|C<3>,5|H<1>}	118.5720	0.000	1	118.2245	0.242	2	118.9513	1.002	8	119.3008	4.932	35	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCH)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2){2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCH){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<4>,3|C<3>,5|H<1>}	117.8770	0.000	1	118.2245	0.242	2	118.9513	1.002	8	119.3008	4.932	35	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CC[6]H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CC[6]H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|O<2>,3|C<3>,5|H<1>}	118.7390	0.000	1	118.7390	0.000	1	118.9513	1.002	8	119.3008	4.932	35	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CHO)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CHO){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<4>,3|C<3>,5|H<1>}	120.5750	0.000	1	120.5750	0.000	1	118.9513	1.002	8	119.3008	4.932	35	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CNO)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CNO){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|O<2>,3|C<3>,5|H<1>}	120.2810	0.000	1	120.2810	0.000	1	118.9513	1.002	8	119.3008	4.932	35	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])2(CCH)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[6])2(CCH){1|C<3>,2|H<1>,4|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|O<2>,3|C<3>,4|H<1>}	117.9080	0.000	1	118.5030	0.708	2	118.9513	1.002	8	119.3008	4.932	35	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])2(CCH)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]N[6])2(CCH){1|C<3>,2|H<1>,4|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|O<2>,3|C<3>,5|H<1>}	119.0980	0.000	1	118.5030	0.708	2	118.9513	1.002	8	119.3008	4.932	35	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(NCH)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[6]C[6]2){1|C<2>,1|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(NCH){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<3>,1|O<2>,2|C<3>,5|H<1>}	116.9420	0.000	1	117.3607	0.185	3	119.1399	12.789	8	119.3008	4.932	35	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(NCH)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(NCH){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<3>,1|O<2>,2|C<3>,5|H<1>}	117.8010	0.000	1	117.3607	0.185	3	119.1399	12.789	8	119.3008	4.932	35	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(NCH)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[6]C[6]2){1|C<3>,3|C<4>,5|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(NCH){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<3>,1|O<2>,2|C<3>,5|H<1>}	117.3390	0.000	1	117.3607	0.185	3	119.1399	12.789	8	119.3008	4.932	35	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(NOO)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{2|C<3>,2|N<3>,5|H<1>}	124.5970	0.000	1	123.2910	1.323	3	119.1399	12.789	8	119.3008	4.932	35	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(NOO)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,3|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{2|C<3>,2|N<3>,5|H<1>}	122.6380	0.297	2	123.2910	1.323	3	119.1399	12.789	8	119.3008	4.932	35	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]O)(NHH)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(N[6]C[6]2){1|Cl<1>,1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]O)(NHH){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<3>,2|C<3>,2|O<2>,4|H<1>}	115.5820	0.016	2	115.5820	0.000	2	119.1399	12.789	8	119.3008	4.932	35	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,1|N<3>,4|C<4>,5|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,1|N<3>,4|C<4>,5|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<4>,1|N<3>,2|C<3>,5|H<1>}	120.5277	1.236	3	120.5277	1.527	3	120.5277	1.527	3	119.3008	4.932	35	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:3:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5,6,6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]C[5,6,6]C[6])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CC[5]O)	N[6](C[5,6,6]C[6,6]N[5,6]O[5])(C[6a]C[6a]2)(C[6]C[6]O)	C[6a](N[6]C[5,6,6]C[6])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CC[5]O){1|C<4>,2|C<3>,2|H<1>}	N[6](C[5,6,6]C[6,6]N[5,6]O[5])(C[6a]C[6a]2)(C[6]C[6]O){3|H<1>,4|C<3>,5|C<4>}	124.3390	0.000	1	124.3390	0.000	1	124.3390	0.000	1	124.3390	0.000	1	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:3:	4:4:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6]-4:C[6]-4:C[6a]-3:	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]2)	N[6](C[6]N[6,6]HH)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,2|C<4>,2|N<3>,6|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,2|C<4>,2|N<3>,6|H<1>}	N[6](C[6]N[6,6]HH)2(C[6a]C[6a]2){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	121.2800	0.000	1	121.2800	0.000	1	121.2800	0.000	1	121.2800	0.000	1	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:N[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](C[6a]C[5,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6])(C[6a]C[5,6a]H)(CCCH)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]C){1|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[5,6a]H)(CCCH){1|H<1>,1|S<4>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|C<4>,1|S<2>,3|H<1>,6|C<3>}	120.1960	0.279	2	120.1960	0.078	2	120.1960	0.078	2	119.9417	0.233	3	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(NCHH)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(NCHH){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|N<3>,1|N<4>,3|H<1>,6|C<3>}	119.4330	0.000	1	119.4330	0.000	1	119.4330	0.000	1	119.9417	0.233	3	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:3:4:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CC3)	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]C)(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CC3){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH){2|C<4>,4|C<3>,4|H<1>}	122.1390	0.000	1	122.1390	0.000	1	122.1390	0.000	1	122.1390	0.000	1	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(BC[6a]ClH)	N[6](C[6a]C[6a]2)(C[6]C[6]CC)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,2|H<1>,6|C<4>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(BC[6a]ClH){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]CC)2{1|B<4>,1|C<4>,2|C<3>,5|H<1>}	119.9480	0.000	1	119.9480	0.000	1	119.9480	0.000	1	119.4880	12.404	18	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]C)(CH3)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,3|C<4>,5|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]C)(CH3){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<4>,1|N<4>,2|C<3>,5|H<1>}	118.3054	0.377	5	118.3054	0.142	5	119.4609	13.165	17	119.4880	12.404	18	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCHN)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCHN){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{2|C<3>,2|C<4>,5|H<1>}	119.2880	0.000	1	119.1690	0.028	2	119.4609	13.165	17	119.4880	12.404	18	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCHN)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2){1|Cl<1>,1|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCHN){1|C<3>,1|H<1>,3|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<4>,1|N<3>,2|C<3>,5|H<1>}	119.0500	0.000	1	119.1690	0.028	2	119.4609	13.165	17	119.4880	12.404	18	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CC[6a]HH)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CC[6a]HH){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<4>,1|O<2>,2|C<3>,5|H<1>}	119.2660	0.000	1	119.2660	0.000	1	119.4609	13.165	17	119.4880	12.404	18	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<4>,1|N<4>,2|C<3>,5|H<1>}	118.3480	0.000	1	118.3480	0.000	1	119.4609	13.165	17	119.4880	12.404	18	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]C)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CC[6a]HH)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]C)2(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CC[6a]HH){1|C<3>,4|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{2|C<3>,3|C<4>,4|H<1>}	120.8155	9.523	2	120.8155	90.680	2	119.4609	13.165	17	119.4880	12.404	18	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]C)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3)	N[6](C[6a]C[6a]2)(C[6]B[6]CH)(C[6]C[6]HH)	C[6a](C[6a]C[6a]C)2(N[6]C[6]2){1|B<3>,1|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3){1|C<3>,4|C<4>}	N[6](C[6a]C[6a]2)(C[6]B[6]CH)(C[6]C[6]HH){1|N<3>,1|S<2>,2|C<3>,2|C<4>,2|H<1>}	120.4110	5.578	2	120.2877	20.695	6	119.4609	13.165	17	119.4880	12.404	18	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]C)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3)	N[6](C[6a]C[6a]2)(C[6]B[6]CH)(C[6]C[6]HH)	C[6a](C[6a]C[6a]C)2(N[6]C[6]2){1|B<3>,1|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3){1|C<3>,4|C<4>}	N[6](C[6a]C[6a]2)(C[6]B[6]CH)(C[6]C[6]HH){2|C<3>,2|C<4>,2|H<1>,2|N<3>}	120.2260	4.910	4	120.2877	20.695	6	119.4609	13.165	17	119.4880	12.404	18	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5,6]-4:C[6]-3:C[6a]-3:	C[6a](N[6]C[5,6]C[6])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CC[5]HO)	N[6](C[5,6]C[5]C[6]O[5])(C[6]C[5,6]O)(C[6a]C[6a]2)	C[6a](N[6]C[5,6]C[6])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CC[5]HO){1|C<4>,2|C<3>,2|H<1>}	N[6](C[5,6]C[5]C[6]O[5])(C[6]C[5,6]O)(C[6a]C[6a]2){1|N<3>,1|O<1>,3|C<3>,3|C<4>,3|H<1>}	124.3650	0.457	2	124.3650	0.209	2	124.3650	0.209	2	121.1905	7.003	6	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6a]-3:Ge[6]-3:	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(Ge[6]P[6]Cl)	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2{1|Cl<1>,1|P<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Ge<3>,1|C<3>,1|H<1>,2|C<4>}	N[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(Ge[6]P[6]Cl){2|C<4>,6|C<3>}	119.9020	1.790	2	119.9020	3.206	2	119.9020	3.206	2	121.1905	7.003	6	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Si[6]-4:C[6a]-3:C[6]-3:	C[6a](N[6]Si[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](Si[6]N[6]Cl2)(C[6a]C[6a]2)(C[6]N[6]N)	C[6a](N[6]Si[6]C[6])(C[6a]C[6a]C)2{2|Cl<1>,1|C<3>,1|N<3>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Si<4>,1|C<4>,1|H<1>,2|C<3>}	N[6](Si[6]N[6]Cl2)(C[6a]C[6a]2)(C[6]N[6]N){2|C<4>,3|C<3>}	119.3045	1.006	2	119.3045	1.012	2	119.3045	1.012	2	121.1905	7.003	6	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CC[5a]HH)	N[6](C[6]C[5a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2){2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CC[5a]HH){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6]C[5a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH){2|C<4>,4|C<3>,5|H<1>}	118.4320	0.000	1	118.4320	0.000	1	119.9519	11.039	10	120.4007	12.151	11	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CHHN)	N[6](C[6]C[6,6a]HN)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CHHN){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6]C[6,6a]HN)(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,3|H<1>,4|C<3>}	118.4480	0.000	1	118.4480	0.000	1	119.9519	11.039	10	120.4007	12.151	11	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]C)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3)	N[6](C[6]C[6]N[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6a](C[6a]C[6a]C)2(N[6]C[6]2){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3){1|C<3>,4|C<4>}	N[6](C[6]C[6]N[6]H)(C[6a]C[6a]2)(C[6]C[6]HH){2|N<3>,3|C<3>,3|C<4>,3|H<1>}	120.6502	4.244	4	120.6502	18.009	4	119.9519	11.039	10	120.4007	12.151	11	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]C)2(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3)	N[6](C[6]N[6]SiH)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6a](C[6a]C[6a]C)2(N[6]C[6]2){1|Si<4>,1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3){1|C<3>,4|C<4>}	N[6](C[6]N[6]SiH)(C[6a]C[6a]2)(C[6]C[6]HH){2|H<1>,3|C<3>,3|C<4>}	120.0095	3.596	4	120.0095	12.931	4	119.9519	11.039	10	120.4007	12.151	11	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:3:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:S-4:	C[6]-4:C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(SN[6]OO)	N[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(N[6]C[6]2){1|Br<1>,1|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(SN[6]OO){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH){1|N<3>,1|S<4>,2|C<3>,2|C<4>,3|H<1>}	124.8890	0.000	1	124.8890	0.000	1	124.8890	0.000	1	120.4007	12.151	11	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	0:SP2_SP2_SP3	C[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	4:4:3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5,6]-4:C[6]-4:C[6a]-3:	C[6a](N[6]C[5,6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]HH)(C[6a]C[6a]2)	C[6a](N[6]C[5,6]C[6])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|C<3>,1|H<1>,3|C<4>}	N[6](C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]HH)(C[6a]C[6a]2){2|H<1>,4|C<3>,4|C<4>}	119.8405	4.542	2	119.8405	20.627	2	119.8405	20.627	2	119.8405	20.627	2	121.1134	4.490	993	120.9635	4.175	1701
643	643	856	6:SP2_SP2_SP2	C[3x6,6a]	C[6,6,6a]	N[3x6]	3:3:3:	3:4:3:	3:5:4:	C[6,6,6a]-3:N[3x6]-3:C[6,6a]-3:	C[3x6,6a]-3:C[4,4,6,6]-4:C[6a]-3:	C[3x6,6a]-3:C[4,4,6,6]-5:C[6]-4:	C[3x6,6a](C[6,6,6a]C[4,4,6,6]C[6a])(N[3x6]C[4,4,6,6]C[6])(C[6,6a]C[6a,6a]C[6])	C[6,6,6a](C[3x6,6a]C[6,6a]N[3x6])(C[4,4,6,6]C[3x4,6]2H)(C[6a]C[6a,6a]H)	N[3x6](C[3x6,6a]C[6,6,6a]C[6,6a])(C[4,4,6,6]C[3x4,6]2HH)(C[6]C[6]HH)	C[3x6,6a](C[6,6,6a]C[4,4,6,6]C[6a])(N[3x6]C[4,4,6,6]C[6])(C[6,6a]C[6a,6a]C[6]){1|C<3>,1|O<2>,3|C<4>,8|H<1>}	C[6,6,6a](C[3x6,6a]C[6,6a]N[3x6])(C[4,4,6,6]C[3x4,6]2H)(C[6a]C[6a,6a]H){1|C<5>,1|H<2>,2|C<3>,2|C<4>,2|H<1>}	N[3x6](C[3x6,6a]C[6,6,6a]C[6,6a])(C[4,4,6,6]C[3x4,6]2HH)(C[6]C[6]HH){1|H<2>,2|C<3>,2|C<4>,4|H<1>}	120.1470	0.000	1	120.1470	0.000	1	120.1470	0.000	1	120.1470	0.000	1	120.1470	0.000	1	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[3x6,6a]	C[6,6a]	N[3x6]	3:3:3:	3:3:4:	3:5:4:	C[6,6,6a]-3:N[3x6]-3:C[6,6a]-3:	C[3x6,6a]-3:C[6a,6a]-3:C[6]-4:	C[3x6,6a]-3:C[4,4,6,6]-5:C[6]-4:	C[3x6,6a](C[6,6,6a]C[4,4,6,6]C[6a])(N[3x6]C[4,4,6,6]C[6])(C[6,6a]C[6a,6a]C[6])	C[6,6a](C[3x6,6a]C[6,6,6a]N[3x6])(C[6a,6a]C[6a,6a]O[6a])(C[6]C[6]HH)	N[3x6](C[3x6,6a]C[6,6,6a]C[6,6a])(C[4,4,6,6]C[3x4,6]2HH)(C[6]C[6]HH)	C[3x6,6a](C[6,6,6a]C[4,4,6,6]C[6a])(N[3x6]C[4,4,6,6]C[6])(C[6,6a]C[6a,6a]C[6]){1|C<3>,1|O<2>,3|C<4>,8|H<1>}	C[6,6a](C[3x6,6a]C[6,6,6a]N[3x6])(C[6a,6a]C[6a,6a]O[6a])(C[6]C[6]HH){1|C<5>,2|C<4>,2|H<1>,3|C<3>}	N[3x6](C[3x6,6a]C[6,6,6a]C[6,6a])(C[4,4,6,6]C[3x4,6]2HH)(C[6]C[6]HH){1|H<2>,2|C<3>,2|C<4>,4|H<1>}	119.9600	0.000	1	119.9600	0.000	1	119.9600	0.000	1	119.9600	0.000	1	119.9600	0.000	1	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6,6a]	C[6,6,6a]	N[6,6]	3:3:3:	3:3:3:	3:4:3:	C[6,6,6a]-3:C[6,6a]-3:N[6,6]-3:	C[6,6,6a]-3:C[6,6a]-3:N[6,6]-3:	C[6,6,6a]-3:C[6]-4:C[6]-3:	C[6,6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6,6a]C[6a]C[6])(N[6,6]C[6]2)	C[6,6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6,6a]C[6a]C[6])(N[6,6]C[6]2)	N[6,6](C[6,6,6a]C[6,6,6a]C[6,6a])(C[6]C[6]HH)(C[6]C[6]H)	C[6,6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6,6a]C[6a]C[6])(N[6,6]C[6]2){1|C<4>,4|C<3>,5|H<1>}	C[6,6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6,6a]C[6a]C[6])(N[6,6]C[6]2){1|C<4>,4|C<3>,5|H<1>}	N[6,6](C[6,6,6a]C[6,6,6a]C[6,6a])(C[6]C[6]HH)(C[6]C[6]H){1|N<3>,3|C<3>,3|H<1>}	120.5285	0.207	2	120.5285	0.043	2	120.5285	0.043	2	120.5285	0.043	2	119.0670	6.429	3	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6,6a]	C[6,6,6a]	N[6,6]	3:3:3:	4:3:3:	4:3:3:	C[6,6,6a]-3:N[6,6]-3:C[6a]-3:	C[4,3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[4,6,6]-4:C[6,6,6a]-3:C-3:	C[6,6,6a](C[6,6,6a]C[4,3x6]C[6a])(N[6,6]C[4,6,6]C)(C[6a]C[6a]H)	C[6,6,6a](C[4,3x6]C[4,6,6]C[4,6]C[6])(C[6,6,6a]N[6,6]C[6a])(C[6a]C[6a]H)	N[6,6](C[4,6,6]C[4,6,6]C[4,6]H)(C[6,6,6a]C[6,6,6a]C[6a])(CCO)	C[6,6,6a](C[6,6,6a]C[4,3x6]C[6a])(N[6,6]C[4,6,6]C)(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	C[6,6,6a](C[4,3x6]C[4,6,6]C[4,6]C[6])(C[6,6,6a]N[6,6]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,7|H<1>}	N[6,6](C[4,6,6]C[4,6,6]C[4,6]H)(C[6,6,6a]C[6,6,6a]C[6a])(CCO){1|C<4>,3|C<3>,4|H<1>}	116.1440	0.000	1	116.1440	0.000	1	116.1440	0.000	1	116.1440	0.000	1	119.0670	6.429	3	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6,6a]	C[6,6a,6a]	N[6,6]	3:3:3:	3:3:3:	3:4:3:	C[6,6a,6a]-3:C[6,6a]-3:N[6,6]-3:	C[6,6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6,6a]-3:B[6]-4:C[6]-3:	C[6,6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6a]C[6])(N[6,6]B[6]C[6])	C[6,6a,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6,6a]C[6a]O[6])(C[6a,6a]C[6a]2)	N[6,6](C[6,6,6a]C[6,6a,6a]C[6,6a])(B[6]C[6a]2O[6])(C[6]C[6]H)	C[6,6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6a]C[6])(N[6,6]B[6]C[6]){1|O<2>,3|H<1>,6|C<3>}	C[6,6a,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6,6a]C[6a]O[6])(C[6a,6a]C[6a]2){1|B<4>,3|H<1>,4|C<3>}	N[6,6](C[6,6,6a]C[6,6a,6a]C[6,6a])(B[6]C[6a]2O[6])(C[6]C[6]H){1|H<1>,8|C<3>}	118.6770	0.000	1	118.6770	0.000	1	118.7880	0.025	2	120.3442	1.086	10	120.3511	0.918	12	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6,6a]	C[6,6a,6a]	N[6,6]	3:3:3:	3:3:3:	3:4:3:	C[6,6a,6a]-3:C[6,6a]-3:N[6,6]-3:	C[6,6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6,6a]-3:B[6]-4:C[6]-3:	C[6,6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6a]C[6])(N[6,6]B[6]C[6])	C[6,6a,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6,6a]C[6a]O[6])(C[6a,6a]C[6a]2)	N[6,6](C[6,6,6a]C[6,6a,6a]C[6,6a])(B[6]O[6]CF)(C[6]C[6]H)	C[6,6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6a]C[6])(N[6,6]B[6]C[6]){1|F<1>,1|O<2>,3|H<1>,5|C<3>}	C[6,6a,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6,6a]C[6a]O[6])(C[6a,6a]C[6a]2){1|B<4>,3|H<1>,4|C<3>}	N[6,6](C[6,6,6a]C[6,6a,6a]C[6,6a])(B[6]O[6]CF)(C[6]C[6]H){1|H<1>,4|C<3>}	118.8990	0.000	1	118.8990	0.000	1	118.7880	0.025	2	120.3442	1.086	10	120.3511	0.918	12	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6,6a]	C[6,6a,6a]	N[6,6]	3:3:3:	3:3:3:	3:4:3:	C[6,6a,6a]-3:C[6,6a]-3:N[6,6]-3:	C[6,6,6a]-3:N[6,6a]-3:C[6a,6a]-3:	C[6,6,6a]-3:C[6]-4:C[6]-3:	C[6,6,6a](C[6,6a,6a]C[6a,6a]N[6,6a])(C[6,6a]C[6a]C[6])(N[6,6]C[6]2)	C[6,6a,6a](C[6,6,6a]C[6,6a]N[6,6])(N[6,6a]C[6a]C[6])(C[6a,6a]C[6a]2)	N[6,6](C[6,6,6a]C[6,6a,6a]C[6,6a])(C[6]C[6]HH)(C[6]C[6]C)	C[6,6,6a](C[6,6a,6a]C[6a,6a]N[6,6a])(C[6,6a]C[6a]C[6])(N[6,6]C[6]2){2|C<4>,4|C<3>,4|H<1>}	C[6,6a,6a](C[6,6,6a]C[6,6a]N[6,6])(N[6,6a]C[6a]C[6])(C[6a,6a]C[6a]2){2|C<4>,4|C<3>,4|H<1>}	N[6,6](C[6,6,6a]C[6,6a,6a]C[6,6a])(C[6]C[6]HH)(C[6]C[6]C){1|N<3>,3|C<3>,3|H<1>}	120.8370	0.000	1	120.8370	0.000	1	120.7332	0.528	8	120.3442	1.086	10	120.3511	0.918	12	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6,6a]	C[6,6a,6a]	N[6,6]	3:3:3:	3:3:3:	3:4:3:	C[6,6a,6a]-3:C[6,6a]-3:N[6,6]-3:	C[6,6,6a]-3:N[6,6a]-3:C[6a,6a]-3:	C[6,6,6a]-3:C[6]-4:C[6]-3:	C[6,6,6a](C[6,6a,6a]C[6a,6a]N[6,6a])(C[6,6a]C[6a]C[6])(N[6,6]C[6]2)	C[6,6a,6a](C[6,6,6a]C[6,6a]N[6,6])(N[6,6a]C[6a]C[6])(C[6a,6a]C[6a]2)	N[6,6](C[6,6,6a]C[6,6a,6a]C[6,6a])(C[6]C[6]HH)(C[6]C[6]H)	C[6,6,6a](C[6,6a,6a]C[6a,6a]N[6,6a])(C[6,6a]C[6a]C[6])(N[6,6]C[6]2){1|C<4>,4|C<3>,5|H<1>}	C[6,6a,6a](C[6,6,6a]C[6,6a]N[6,6])(N[6,6a]C[6a]C[6])(C[6a,6a]C[6a]2){1|C<4>,4|C<3>,5|H<1>}	N[6,6](C[6,6,6a]C[6,6a,6a]C[6,6a])(C[6]C[6]HH)(C[6]C[6]H){1|N<3>,3|C<3>,3|H<1>}	120.8967	0.685	6	120.7184	0.614	7	120.7332	0.528	8	120.3442	1.086	10	120.3511	0.918	12	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6,6a]	C[6,6a,6a]	N[6,6]	3:3:3:	3:3:3:	3:4:3:	C[6,6a,6a]-3:C[6,6a]-3:N[6,6]-3:	C[6,6,6a]-3:N[6,6a]-3:C[6a,6a]-3:	C[6,6,6a]-3:C[6]-4:C[6]-3:	C[6,6,6a](C[6,6a,6a]C[6a,6a]N[6,6a])(C[6,6a]C[6a]C[6])(N[6,6]C[6]2)	C[6,6a,6a](C[6,6,6a]C[6,6a]N[6,6])(N[6,6a]C[6a]C[6])(C[6a,6a]C[6a]2)	N[6,6](C[6,6,6a]C[6,6a,6a]C[6,6a])(C[6]C[6]HH)(C[6]C[6]H)	C[6,6,6a](C[6,6a,6a]C[6a,6a]N[6,6a])(C[6,6a]C[6a]C[6])(N[6,6]C[6]2){2|C<4>,4|C<3>,4|H<1>}	C[6,6a,6a](C[6,6,6a]C[6,6a]N[6,6])(N[6,6a]C[6a]C[6])(C[6a,6a]C[6a]2){2|C<4>,4|C<3>,4|H<1>}	N[6,6](C[6,6,6a]C[6,6a,6a]C[6,6a])(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	119.6490	0.000	1	120.7184	0.614	7	120.7332	0.528	8	120.3442	1.086	10	120.3511	0.918	12	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6,6a]	C[6,6a,6a]	N[6,6]	3:3:3:	3:3:3:	3:4:4:	C[6,6a,6a]-3:C[6,6a,6a]-3:N[6,6]-3:	C[6,6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6,6a]-3:C[6]-4:C[6]-4:	C[6,6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])2(N[6,6]C[6]2)	C[6,6a,6a](C[6,6,6a]C[6,6a,6a]N[6,6])(C[6,6a]C[6a]C[6])(C[6a,6a]C[6a]2)	N[6,6](C[6,6,6a]C[6,6a,6a]2)(C[6]C[6]HH)2	C[6,6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])2(N[6,6]C[6]2){2|C<4>,4|H<1>,5|C<3>}	C[6,6a,6a](C[6,6,6a]C[6,6a,6a]N[6,6])(C[6,6a]C[6a]C[6])(C[6a,6a]C[6a]2){2|C<4>,4|C<3>,4|H<1>}	N[6,6](C[6,6,6a]C[6,6a,6a]2)(C[6]C[6]HH)2{4|C<3>,4|H<1>}	120.3855	0.562	2	120.3855	0.316	2	120.3855	0.316	2	120.3855	0.316	2	120.3511	0.918	12	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6,6a]	C[6,6a]	N[3x6]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:C[6,6a]-3:N[3x6]-3:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:	C[6,6,6a](C[6,6a]C[6a]O[6])2(N[3x6]C[6,6,6a]2)	C[6,6a](C[6,6,6a]C[6,6a]N[3x6])(C[6a]C[6a]H)(O[6]C[6,6a])	N[3x6](C[6,6,6a]C[6,6a]2)3	C[6,6,6a](C[6,6a]C[6a]O[6])2(N[3x6]C[6,6,6a]2){2|H<1>,5|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]N[3x6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|O<2>,4|C<3>}	N[3x6](C[6,6,6a]C[6,6a]2)3{3|O<2>,6|C<3>}	119.6615	0.183	6	119.6615	0.033	6	119.6615	0.033	6	119.6615	0.033	6	120.1304	0.837	70	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6,6a]	C[6,6a]	N[3x6]	3:3:3:	3:4:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:N[3x6]-3:	C[6,6,6a]-3:C[6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:	C[6,6,6a](C[6,6a]C[6a]C[6])2(N[3x6]C[6,6,6a]2)	C[6,6a](C[6,6,6a]C[6,6a]N[3x6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	N[3x6](C[6,6,6a]C[6,6a]2)3	C[6,6,6a](C[6,6a]C[6a]C[6])2(N[3x6]C[6,6,6a]2){2|H<1>,4|C<4>,5|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]N[3x6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Br<1>,1|C<4>,4|C<3>}	N[3x6](C[6,6,6a]C[6,6a]2)3{3|C<4>,6|C<3>}	120.5920	0.400	6	120.1183	0.966	54	120.1744	0.891	64	120.1744	0.891	64	120.1304	0.837	70	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6,6a]	C[6,6a]	N[3x6]	3:3:3:	3:4:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:N[3x6]-3:	C[6,6,6a]-3:C[6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:	C[6,6,6a](C[6,6a]C[6a]C[6])2(N[3x6]C[6,6,6a]2)	C[6,6a](C[6,6,6a]C[6,6a]N[3x6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	N[3x6](C[6,6,6a]C[6,6a]2)3	C[6,6,6a](C[6,6a]C[6a]C[6])2(N[3x6]C[6,6,6a]2){2|H<1>,4|C<4>,5|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]N[3x6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	N[3x6](C[6,6,6a]C[6,6a]2)3{3|C<4>,6|C<3>}	120.1003	1.159	28	120.1183	0.966	54	120.1744	0.891	64	120.1744	0.891	64	120.1304	0.837	70	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6,6a]	C[6,6a]	N[3x6]	3:3:3:	3:4:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:N[3x6]-3:	C[6,6,6a]-3:C[6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:	C[6,6,6a](C[6,6a]C[6a]C[6])2(N[3x6]C[6,6,6a]2)	C[6,6a](C[6,6,6a]C[6,6a]N[3x6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	N[3x6](C[6,6,6a]C[6,6a]2)3	C[6,6,6a](C[6,6a]C[6a]C[6])2(N[3x6]C[6,6,6a]2){2|H<1>,4|C<4>,5|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]N[3x6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<4>,5|C<3>}	N[3x6](C[6,6,6a]C[6,6a]2)3{3|C<4>,6|C<3>}	120.0013	0.810	20	120.1183	0.966	54	120.1744	0.891	64	120.1744	0.891	64	120.1304	0.837	70	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6,6a]	C[6,6a]	N[3x6]	3:3:3:	3:4:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:N[3x6]-3:	C[6,6,6a]-3:C[6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:	C[6,6,6a](C[6,6a]C[6a]C[6])2(N[3x6]C[6,6,6a]2)	C[6,6a](C[6,6,6a]C[6,6a]N[3x6])(C[6]C[6,6a]C[6a]2)(C[6a]C[6a]H)	N[3x6](C[6,6,6a]C[6,6a]2)3	C[6,6,6a](C[6,6a]C[6a]C[6])2(N[3x6]C[6,6,6a]2){2|H<1>,9|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]N[3x6])(C[6]C[6,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,8|C<3>}	N[3x6](C[6,6,6a]C[6,6a]2)3{3|C<4>,6|C<3>}	120.2328	0.261	4	120.4776	0.428	10	120.1744	0.891	64	120.1744	0.891	64	120.1304	0.837	70	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6,6a]	C[6,6a]	N[3x6]	3:3:3:	3:4:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:N[3x6]-3:	C[6,6,6a]-3:C[6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:	C[6,6,6a](C[6,6a]C[6a]C[6])2(N[3x6]C[6,6,6a]2)	C[6,6a](C[6,6,6a]C[6,6a]N[3x6])(C[6]C[6,6a]C[6a]2)(C[6a]C[6a]H)	N[3x6](C[6,6,6a]C[6,6a]2)3	C[6,6,6a](C[6,6a]C[6a]C[6])2(N[3x6]C[6,6,6a]2){2|H<1>,9|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]N[3x6])(C[6]C[6,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,9|C<3>}	N[3x6](C[6,6,6a]C[6,6a]2)3{3|C<4>,6|C<3>}	120.6408	0.806	6	120.4776	0.428	10	120.1744	0.891	64	120.1744	0.891	64	120.1304	0.837	70	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:N[6,6]-3:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6,6a]-3:C[6]-3:O[6]-2:	C[6,6,6a](C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6])(N[6,6]C[6]O[6])	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(O[6]B[6])	N[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]H)(O[6]B[6])	C[6,6,6a](C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6])(N[6,6]C[6]O[6]){1|B<4>,2|C<3>,4|H<1>}	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(O[6]B[6]){1|F<1>,1|H<1>,1|O<2>,4|C<3>}	N[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]H)(O[6]B[6]){1|F<1>,1|H<1>,1|O<2>,4|C<3>}	119.6420	0.000	1	119.6420	0.000	1	119.6420	0.000	1	119.2687	2.184	3	120.1047	0.878	135	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:3:2:	3:3:2:	N[6,6]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6,6,6a]-3:N[6]-2:	C[6,6,6a](N[6,6]C[6,6a]N[6])(C[6,6a]C[6a]N[6])(C[6,6a]C[6a]O[6])	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(N[6]C[6])	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6,6a]C[6,6a]2)(N[6]C[6])	C[6,6,6a](N[6,6]C[6,6a]N[6])(C[6,6a]C[6a]N[6])(C[6,6a]C[6a]O[6]){2|H<1>,4|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(N[6]C[6]){1|H<1>,1|N<2>,1|O<2>,3|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6,6a]C[6,6a]2)(N[6]C[6]){1|H<1>,1|N<2>,1|O<2>,5|C<3>}	117.6400	0.000	1	117.6400	0.000	1	117.6400	0.000	1	119.2687	2.184	3	120.1047	0.878	135	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:3:2:	3:3:2:	N[6,6]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6,6a]-3:N[6]-2:	C[6,6,6a](N[6,6]C[6,6a]N[6])(C[6,6a]C[6a]N[6])(C[6,6a]C[6a]O[6])	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(O[6]C[6,6a])	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6,6a]C[6,6a]2)(N[6]C[6])	C[6,6,6a](N[6,6]C[6,6a]N[6])(C[6,6a]C[6a]N[6])(C[6,6a]C[6a]O[6]){2|H<1>,4|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,2|N<2>,3|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6,6a]C[6,6a]2)(N[6]C[6]){1|H<1>,1|N<2>,1|O<2>,5|C<3>}	120.5240	0.000	1	120.5240	0.000	1	120.5240	0.000	1	119.2687	2.184	3	120.1047	0.878	135	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:C[6,6a]-3:N[6,6]-3:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6,6a]-3:C[6]-3:C[6]-3:	C[6,6,6a](C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6])(N[6,6]C[6]2)	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(O[6]C[6])	N[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]C)(C[6]C[6]H)	C[6,6,6a](C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6])(N[6,6]C[6]2){1|Cl<1>,1|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(O[6]C[6]){3|H<1>,4|C<3>}	N[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]C)(C[6]C[6]H){1|O<2>,3|C<3>,3|H<1>}	119.5510	0.000	1	119.5510	0.000	1	119.5510	0.000	1	120.0093	1.189	14	120.1047	0.878	135	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:C[6,6a]-3:N[6,6]-3:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:C[6,6,6a]-3:	C[6,6,6a](C[6,6a]C[5,6]C[6a])(C[6,6a]C[6a]O[6])(N[6,6]C[6,6a]2)	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(O[6]C[6,6a])	N[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6,6a]C[6,6a]2)	C[6,6,6a](C[6,6a]C[5,6]C[6a])(C[6,6a]C[6a]O[6])(N[6,6]C[6,6a]2){2|H<1>,7|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|C<4>,1|H<1>,4|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6,6a]C[6,6a]2){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	118.9228	0.248	4	118.9228	0.062	4	119.7880	0.901	8	120.0093	1.189	14	120.1047	0.878	135	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:C[6,6a]-3:N[6,6]-3:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:C[6,6,6a]-3:	C[6,6,6a](C[6,6a]C[6a]O[6])2(N[6,6]C[6,6a]2)	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(O[6]C[6,6a])	N[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6,6a]C[6,6a]2)	C[6,6,6a](C[6,6a]C[6a]O[6])2(N[6,6]C[6,6a]2){2|H<1>,5|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|O<2>,4|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6,6a]C[6,6a]2){2|H<1>,2|O<2>,6|C<3>}	120.6532	0.211	4	120.6532	0.045	4	119.7880	0.901	8	120.0093	1.189	14	120.1047	0.878	135	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:C[6,6a]-3:N[6,6]-3:	C[6,6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:C[6,6,6a]-3:	C[6,6,6a](C[6,6a]C[5,6]C[6a])(C[6,6a]C[6a]S[6])(N[6,6]C[6,6a]2)	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(S[6]C[6,6a])	N[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6,6a]C[6,6a]2)	C[6,6,6a](C[6,6a]C[5,6]C[6a])(C[6,6a]C[6a]S[6])(N[6,6]C[6,6a]2){2|H<1>,7|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|C<4>,1|H<1>,4|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6,6a]C[6,6a]2){1|C<4>,1|S<2>,2|H<1>,6|C<3>}	119.1330	0.000	1	119.1330	0.000	1	120.4550	1.887	5	120.0093	1.189	14	120.1047	0.878	135	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:C[6,6a]-3:N[6,6]-3:	C[6,6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:C[6,6,6a]-3:	C[6,6,6a](C[6,6a]C[6a]S[6])2(N[6,6]C[6,6a]2)	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(S[6]C[6,6a])	N[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6,6a]C[6,6a]2)	C[6,6,6a](C[6,6a]C[6a]S[6])2(N[6,6]C[6,6a]2){2|H<1>,5|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|C<4>,1|S<2>,4|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6,6a]C[6,6a]2){2|H<1>,2|S<2>,6|C<3>}	121.2600	1.872	2	120.7855	1.788	4	120.4550	1.887	5	120.0093	1.189	14	120.1047	0.878	135	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:C[6,6a]-3:N[6,6]-3:	C[6,6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:C[6,6,6a]-3:	C[6,6,6a](C[6,6a]C[6a]S[6])2(N[6,6]C[6,6a]2)	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(S[6]C[6,6a])	N[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6,6a]C[6,6a]2)	C[6,6,6a](C[6,6a]C[6a]S[6])2(N[6,6]C[6,6a]2){2|H<1>,5|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|H<1>,1|S<2>,4|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6,6a]C[6,6a]2){2|H<1>,2|S<2>,6|C<3>}	120.3110	0.979	2	120.7855	1.788	4	120.4550	1.887	5	120.0093	1.189	14	120.1047	0.878	135	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:3:2:	4:3:3:	C[6,6a]-3:C[6,6a]-3:N[6,6]-3:	C[6,6,6a]-3:C[6a]-3:Se[6]-2:	C[5,6]-4:C[6,6,6a]-3:C[6]-3:	C[6,6,6a](C[6,6a]C[6a]Se[6])(C[6,6a]C[6a]C[6])(N[6,6]C[5,6]C[6])	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(Se[6]C[5,6])	N[6,6](C[5,6]C[5,6a]C[5,6]H)(C[6,6,6a]C[6,6a]2)(C[6]C[6]H)	C[6,6,6a](C[6,6a]C[6a]Se[6])(C[6,6a]C[6a]C[6])(N[6,6]C[5,6]C[6]){1|C<4>,3|C<3>,5|H<1>}	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(Se[6]C[5,6]){2|C<4>,2|H<1>,3|C<3>}	N[6,6](C[5,6]C[5,6a]C[5,6]H)(C[6,6,6a]C[6,6a]2)(C[6]C[6]H){1|Se<2>,1|C<4>,2|H<1>,5|C<3>}	123.3570	0.000	1	123.3570	0.000	1	123.3570	0.000	1	123.3570	0.000	1	120.1047	0.878	135	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:C[6,6a]-3:N[6,6]-3:	C[6,6,6a]-3:C[6a]-3:C[6]-3:	C[6,6,6a]-3:C[6]-3:O[6]-2:	C[6,6,6a](C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6])(N[6,6]C[6]O[6])	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(C[6]C[6]H)	N[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]H)(O[6]B[6])	C[6,6,6a](C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6])(N[6,6]C[6]O[6]){1|B<4>,2|C<3>,4|H<1>}	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(C[6]C[6]H){2|C<3>,2|H<1>,2|O<2>}	N[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]H)(O[6]B[6]){1|F<1>,1|H<1>,1|O<2>,4|C<3>}	118.9010	0.000	1	118.9010	0.000	1	118.9010	0.000	1	118.9010	0.000	1	120.1047	0.878	135	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:N[6,6]-3:	C[6,6,6a]-3:C[6a]-3:C[6]-3:	C[6,6,6a]-3:C[6]-3:C[6]-3:	C[6,6,6a](C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6])(N[6,6]C[6]2)	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]Cl)(C[6]C[6]H)	N[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]C)(C[6]C[6]H)	C[6,6,6a](C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6])(N[6,6]C[6]2){1|Cl<1>,1|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]Cl)(C[6]C[6]H){1|O<2>,2|H<1>,3|C<3>}	N[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]C)(C[6]C[6]H){1|O<2>,3|C<3>,3|H<1>}	118.8170	0.000	1	118.8170	0.000	1	118.8170	0.000	1	118.8170	0.000	1	120.1047	0.878	135	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:3:3:	3:4:3:	C[6,6,6a]-3:C[6,6a]-3:N[6,6]-3:	C[6,6,6a]-3:C[6a]-3:C[6]-3:	C[6,6,6a]-3:C[6]-4:C[6]-3:	C[6,6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6,6a]C[6a]C[6])(N[6,6]C[6]2)	C[6,6a](C[6,6,6a]C[6,6,6a]N[6,6])(C[6a]C[6a]H)(C[6]C[6]H)	N[6,6](C[6,6,6a]C[6,6,6a]C[6,6a])(C[6]C[6]HH)(C[6]C[6]H)	C[6,6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6,6a]C[6a]C[6])(N[6,6]C[6]2){1|C<4>,4|C<3>,5|H<1>}	C[6,6a](C[6,6,6a]C[6,6,6a]N[6,6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[6,6](C[6,6,6a]C[6,6,6a]C[6,6a])(C[6]C[6]HH)(C[6]C[6]H){1|N<3>,3|C<3>,3|H<1>}	119.8275	0.312	2	119.8275	0.097	2	119.8275	0.097	2	119.8312	0.216	13	120.1047	0.878	135	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:3:3:	3:4:3:	C[6,6a,6a]-3:C[6,6a]-3:N[6,6]-3:	C[6,6,6a]-3:C[6a]-3:C[6]-3:	C[6,6,6a]-3:B[6]-4:C[6]-3:	C[6,6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6a]C[6])(N[6,6]B[6]C[6])	C[6,6a](C[6,6,6a]C[6,6a,6a]N[6,6])(C[6a]C[6a]H)(C[6]C[6]H)	N[6,6](C[6,6,6a]C[6,6a,6a]C[6,6a])(B[6]C[6a]2O[6])(C[6]C[6]H)	C[6,6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6a]C[6])(N[6,6]B[6]C[6]){1|O<2>,3|H<1>,6|C<3>}	C[6,6a](C[6,6,6a]C[6,6a,6a]N[6,6])(C[6a]C[6a]H)(C[6]C[6]H){1|B<4>,2|H<1>,3|C<3>}	N[6,6](C[6,6,6a]C[6,6a,6a]C[6,6a])(B[6]C[6a]2O[6])(C[6]C[6]H){1|H<1>,8|C<3>}	120.4470	0.000	1	120.4470	0.000	1	120.4220	0.001	2	119.8312	0.216	13	120.1047	0.878	135	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:3:3:	3:4:3:	C[6,6a,6a]-3:C[6,6a]-3:N[6,6]-3:	C[6,6,6a]-3:C[6a]-3:C[6]-3:	C[6,6,6a]-3:B[6]-4:C[6]-3:	C[6,6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6a]C[6])(N[6,6]B[6]C[6])	C[6,6a](C[6,6,6a]C[6,6a,6a]N[6,6])(C[6a]C[6a]H)(C[6]C[6]H)	N[6,6](C[6,6,6a]C[6,6a,6a]C[6,6a])(B[6]O[6]CF)(C[6]C[6]H)	C[6,6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6a]C[6])(N[6,6]B[6]C[6]){1|F<1>,1|O<2>,3|H<1>,5|C<3>}	C[6,6a](C[6,6,6a]C[6,6a,6a]N[6,6])(C[6a]C[6a]H)(C[6]C[6]H){1|B<4>,2|H<1>,3|C<3>}	N[6,6](C[6,6,6a]C[6,6a,6a]C[6,6a])(B[6]O[6]CF)(C[6]C[6]H){1|H<1>,4|C<3>}	120.3970	0.000	1	120.3970	0.000	1	120.4220	0.001	2	119.8312	0.216	13	120.1047	0.878	135	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:3:3:	3:4:3:	C[6,6a,6a]-3:C[6,6a]-3:N[6,6]-3:	C[6,6,6a]-3:C[6a]-3:C[6]-3:	C[6,6,6a]-3:C[6]-4:C[6]-3:	C[6,6,6a](C[6,6a,6a]C[6a,6a]N[6,6a])(C[6,6a]C[6a]C[6])(N[6,6]C[6]2)	C[6,6a](C[6,6,6a]C[6,6a,6a]N[6,6])(C[6a]C[6a]H)(C[6]C[6]C)	N[6,6](C[6,6,6a]C[6,6a,6a]C[6,6a])(C[6]C[6]HH)(C[6]C[6]H)	C[6,6,6a](C[6,6a,6a]C[6a,6a]N[6,6a])(C[6,6a]C[6a]C[6])(N[6,6]C[6]2){2|C<4>,4|C<3>,4|H<1>}	C[6,6a](C[6,6,6a]C[6,6a,6a]N[6,6])(C[6a]C[6a]H)(C[6]C[6]C){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	N[6,6](C[6,6,6a]C[6,6a,6a]C[6,6a])(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	119.6160	0.000	1	119.6160	0.000	1	119.6489	0.207	8	119.8312	0.216	13	120.1047	0.878	135	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:3:3:	3:4:3:	C[6,6a,6a]-3:C[6,6a]-3:N[6,6]-3:	C[6,6,6a]-3:C[6a]-3:C[6]-3:	C[6,6,6a]-3:C[6]-4:C[6]-3:	C[6,6,6a](C[6,6a,6a]C[6a,6a]N[6,6a])(C[6,6a]C[6a]C[6])(N[6,6]C[6]2)	C[6,6a](C[6,6,6a]C[6,6a,6a]N[6,6])(C[6a]C[6a]H)(C[6]C[6]H)	N[6,6](C[6,6,6a]C[6,6a,6a]C[6,6a])(C[6]C[6]HH)(C[6]C[6]C)	C[6,6,6a](C[6,6a,6a]C[6a,6a]N[6,6a])(C[6,6a]C[6a]C[6])(N[6,6]C[6]2){2|C<4>,4|C<3>,4|H<1>}	C[6,6a](C[6,6,6a]C[6,6a,6a]N[6,6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[6,6](C[6,6,6a]C[6,6a,6a]C[6,6a])(C[6]C[6]HH)(C[6]C[6]C){1|N<3>,3|C<3>,3|H<1>}	119.5590	0.000	1	119.5590	0.000	1	119.6489	0.207	8	119.8312	0.216	13	120.1047	0.878	135	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:3:3:	3:4:3:	C[6,6a,6a]-3:C[6,6a]-3:N[6,6]-3:	C[6,6,6a]-3:C[6a]-3:C[6]-3:	C[6,6,6a]-3:C[6]-4:C[6]-3:	C[6,6,6a](C[6,6a,6a]C[6a,6a]N[6,6a])(C[6,6a]C[6a]C[6])(N[6,6]C[6]2)	C[6,6a](C[6,6,6a]C[6,6a,6a]N[6,6])(C[6a]C[6a]H)(C[6]C[6]H)	N[6,6](C[6,6,6a]C[6,6a,6a]C[6,6a])(C[6]C[6]HH)(C[6]C[6]H)	C[6,6,6a](C[6,6a,6a]C[6a,6a]N[6,6a])(C[6,6a]C[6a]C[6])(N[6,6]C[6]2){1|C<4>,4|C<3>,5|H<1>}	C[6,6a](C[6,6,6a]C[6,6a,6a]N[6,6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[6,6](C[6,6,6a]C[6,6a,6a]C[6,6a])(C[6]C[6]HH)(C[6]C[6]H){1|N<3>,3|C<3>,3|H<1>}	119.6693	0.536	6	119.6693	0.287	6	119.6489	0.207	8	119.8312	0.216	13	120.1047	0.878	135	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:3:3:	3:4:3:	C[6,6a]-3:N[6,6a]-3:N[6,6]-3:	C[6,6,6a]-3:C[6a]-3:C[6]-3:	C[6,6,6a]-3:C[6]-4:C[6]-3:	C[6,6,6a](C[6,6a]C[6a]C[6])(N[6,6a]C[6a]C[6])(N[6,6]C[6]2)	C[6,6a](C[6,6,6a]N[6,6a]N[6,6])(C[6a]N[6a]O)(C[6]N[6]S)	N[6,6](C[6,6,6a]C[6,6a]N[6,6a])(C[6]C[6]HH)(C[6]N[6]O)	C[6,6,6a](C[6,6a]C[6a]C[6])(N[6,6a]C[6a]C[6])(N[6,6]C[6]2){1|C<4>,2|N<3>,2|O<1>,2|S<1>,4|H<1>}	C[6,6a](C[6,6,6a]N[6,6a]N[6,6])(C[6a]N[6a]O)(C[6]N[6]S){2|C<3>,4|C<4>}	N[6,6](C[6,6,6a]C[6,6a]N[6,6a])(C[6]C[6]HH)(C[6]N[6]O){2|C<4>,2|H<1>,3|C<3>}	120.1150	0.000	1	120.1150	0.000	1	120.1150	0.000	1	119.8312	0.216	13	120.1047	0.878	135	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:N[6,6]-3:	C[6,6,6a]-3:C[6a]-3:C[6]-3:	C[5,6]-4:C[6,6,6a]-3:C[6]-3:	C[6,6,6a](C[6,6a]C[6a]Se[6])(C[6,6a]C[6a]C[6])(N[6,6]C[5,6]C[6])	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(C[6]C[6]H)	N[6,6](C[5,6]C[5,6a]C[5,6]H)(C[6,6,6a]C[6,6a]2)(C[6]C[6]H)	C[6,6,6a](C[6,6a]C[6a]Se[6])(C[6,6a]C[6a]C[6])(N[6,6]C[5,6]C[6]){1|C<4>,3|C<3>,5|H<1>}	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(C[6]C[6]H){1|Se<2>,1|C<4>,2|C<3>,2|H<1>}	N[6,6](C[5,6]C[5,6a]C[5,6]H)(C[6,6,6a]C[6,6a]2)(C[6]C[6]H){1|Se<2>,1|C<4>,2|H<1>,5|C<3>}	117.3490	0.000	1	117.3490	0.000	1	117.3490	0.000	1	118.2063	0.602	3	120.1047	0.878	135	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:3:3:	4:3:3:	C[6,6a]-3:N[6,6]-3:C[6,6a]-3:	C[6,6,6a]-3:C[6a]-3:C[6]-3:	Ga[6,6]-4:C[6,6,6a]-3:C[6]-3:	C[6,6,6a](C[6,6a]Ga[6,6]C[6a])(N[6,6]Ga[6,6]C[6])(C[6,6a]C[6a]C[6])	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(C[6]C[6]H)	N[6,6](Ga[6,6]C[6,6a]Cl[6,6]Cl)(C[6,6,6a]C[6,6a]2)(C[6]C[6]H)	C[6,6,6a](C[6,6a]Ga[6,6]C[6a])(N[6,6]Ga[6,6]C[6])(C[6,6a]C[6a]C[6]){1|Cl<2>,2|Cl<1>,1|N<3>,3|C<3>,4|H<1>}	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(C[6]C[6]H){2|Ga<4>,2|C<3>,2|H<1>}	N[6,6](Ga[6,6]C[6,6a]Cl[6,6]Cl)(C[6,6,6a]C[6,6a]2)(C[6]C[6]H){1|Ga<4>,1|H<1>,5|C<3>}	118.6350	0.320	2	118.6350	0.102	2	118.6350	0.102	2	118.2063	0.602	3	120.1047	0.878	135	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:3:3:	4:3:4:	C[6,6a]-3:C[6,6a]-3:N[6,6]-3:	C[6,6,6a]-3:C[6a]-3:C[6]-3:	C[6,6]-4:C[6,6,6a]-3:C[6]-4:	C[6,6,6a](C[6,6a]C[6a]C[6])(C[6,6a]C[6a]S[6])(N[6,6]C[6,6]C[6])	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(C[6]C[6]H)	N[6,6](C[6,6]N[6,6]C[6]H)(C[6,6,6a]C[6,6a]2)(C[6]C[6]CH)	C[6,6,6a](C[6,6a]C[6a]C[6])(C[6,6a]C[6a]S[6])(N[6,6]C[6,6]C[6]){1|N<3>,2|C<3>,2|C<4>,2|O<1>,5|H<1>}	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|S<4>,2|C<4>,2|H<1>}	N[6,6](C[6,6]N[6,6]C[6]H)(C[6,6,6a]C[6,6a]2)(C[6]C[6]CH){1|C<4>,1|S<4>,3|H<1>,4|C<3>}	119.2780	0.000	1	119.2780	0.000	1	119.2780	0.000	1	119.2780	0.000	1	120.1047	0.878	135	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:3:4:	3:4:4:	C[6,6a]-3:C[6,6a]-3:N[6,6]-3:	C[6,6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6,6a]-3:C[6]-4:C[6]-4:	C[6,6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(N[6,6]C[6]2)	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6,6a]C[6,6a]O[6])(C[6]C[6]HH)	N[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)2	C[6,6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(N[6,6]C[6]2){1|C<3>,1|O<2>,2|C<4>,9|H<1>}	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6,6a]C[6,6a]O[6])(C[6]C[6]HH){2|C<3>,2|H<1>,4|C<4>}	N[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)2{2|C<3>,2|C<4>,4|H<1>}	119.9950	0.462	3	119.9950	0.213	3	119.9950	0.213	3	120.0604	0.322	88	120.1047	0.878	135	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:3:4:	3:4:4:	C[6,6a]-3:C[6,6a]-3:N[6,6]-3:	C[6,6,6a]-3:C[6a,6a]-3:C[6]-4:	C[6,6,6a]-3:C[6]-4:C[6]-4:	C[6,6,6a](C[6,6a]C[6a,6a]C[6])(C[6,6a]C[6a]C[6])(N[6,6]C[6]2)	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a,6a]C[6a,6a]O[6a])(C[6]C[6]CC)	N[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)2	C[6,6,6a](C[6,6a]C[6a,6a]C[6])(C[6,6a]C[6a]C[6])(N[6,6]C[6]2){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a,6a]C[6a,6a]O[6a])(C[6]C[6]CC){2|H<1>,3|C<3>,3|C<4>}	N[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)2{2|C<3>,2|C<4>,4|H<1>}	120.3090	0.126	2	120.3090	0.016	2	120.2145	0.090	24	120.0604	0.322	88	120.1047	0.878	135	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:3:4:	3:4:4:	C[6,6a]-3:C[6,6a]-3:N[6,6]-3:	C[6,6,6a]-3:C[6a,6a]-3:C[6]-4:	C[6,6,6a]-3:C[6]-4:C[6]-4:	C[6,6,6a](C[6,6a]C[6a,6a]C[6])(C[6,6a]C[6a]C[6])(N[6,6]C[6]2)	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a,6a]C[6a,6a]O[6a])(C[6]C[6]HH)	N[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)2	C[6,6,6a](C[6,6a]C[6a,6a]C[6])(C[6,6a]C[6a]C[6])(N[6,6]C[6]2){1|C<3>,1|O<2>,2|C<4>,9|H<1>}	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a,6a]C[6a,6a]O[6a])(C[6]C[6]HH){2|H<1>,3|C<3>,3|C<4>}	N[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)2{2|C<3>,2|C<4>,4|H<1>}	120.2060	0.311	22	120.2060	0.097	22	120.2145	0.090	24	120.0604	0.322	88	120.1047	0.878	135	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:3:4:	3:4:4:	C[6,6a]-3:C[6,6a]-3:N[6,6]-3:	C[6,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6,6a]-3:C[6]-4:C[6]-4:	C[6,6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(N[6,6]C[6]2)	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6,6a]H)(C[6]C[6]HH)	N[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)2	C[6,6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(N[6,6]C[6]2){1|C<3>,1|O<2>,2|C<4>,9|H<1>}	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6,6a]H)(C[6]C[6]HH){1|C<3>,2|H<1>,4|C<4>}	N[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)2{2|C<3>,2|C<4>,4|H<1>}	120.4393	0.592	3	120.4393	0.350	3	120.0029	0.413	61	120.0604	0.322	88	120.1047	0.878	135	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:3:4:	3:4:4:	C[6,6a]-3:C[6,6a]-3:N[6,6]-3:	C[6,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6,6a]-3:C[6]-4:C[6]-4:	C[6,6,6a](C[6,6a]C[6a,6a]C[6])(C[6,6a]C[6a]C[6])(N[6,6]C[6]2)	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a,6a]H)(C[6]C[6]CC)	N[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)2	C[6,6,6a](C[6,6a]C[6a,6a]C[6])(C[6,6a]C[6a]C[6])(N[6,6]C[6]2){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a,6a]H)(C[6]C[6]CC){2|C<3>,2|H<1>,3|C<4>}	N[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)2{2|C<3>,2|C<4>,4|H<1>}	118.8580	0.052	2	118.8580	0.003	2	120.0029	0.413	61	120.0604	0.322	88	120.1047	0.878	135	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:3:4:	3:4:4:	C[6,6a]-3:C[6,6a]-3:N[6,6]-3:	C[6,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6,6a]-3:C[6]-4:C[6]-4:	C[6,6,6a](C[6,6a]C[6a,6a]C[6])(C[6,6a]C[6a]C[6])(N[6,6]C[6]2)	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a,6a]H)(C[6]C[6]HH)	N[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)2	C[6,6,6a](C[6,6a]C[6a,6a]C[6])(C[6,6a]C[6a]C[6])(N[6,6]C[6]2){1|C<3>,1|O<2>,2|C<4>,9|H<1>}	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a,6a]H)(C[6]C[6]HH){2|C<3>,2|H<1>,3|C<4>}	N[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)2{2|C<3>,2|C<4>,4|H<1>}	119.8500	0.316	22	119.8500	0.100	22	120.0029	0.413	61	120.0604	0.322	88	120.1047	0.878	135	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:3:4:	3:4:4:	C[6,6a]-3:C[6,6a]-3:N[6,6]-3:	C[6,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6,6a]-3:C[6]-4:C[6]-4:	C[6,6,6a](C[6,6a]C[6a]C[6])2(N[6,6]C[6]2)	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(C[6]C[6]CC)	N[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)2	C[6,6,6a](C[6,6a]C[6a]C[6])2(N[6,6]C[6]2){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(C[6]C[6]CC){2|C<3>,2|H<1>,3|C<4>}	N[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)2{2|C<3>,2|C<4>,4|H<1>}	119.4870	0.334	3	119.4870	0.111	3	120.0029	0.413	61	120.0604	0.322	88	120.1047	0.878	135	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:3:4:	3:4:4:	C[6,6a]-3:C[6,6a]-3:N[6,6]-3:	C[6,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6,6a]-3:C[6]-4:C[6]-4:	C[6,6,6a](C[6,6a]C[6a]C[6])2(N[6,6]C[6]2)	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(C[6]C[6]HH)	N[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)2	C[6,6,6a](C[6,6a]C[6a]C[6])2(N[6,6]C[6]2){10|H<1>,1|C<3>,2|C<4>}	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(C[6]C[6]HH){2|C<3>,2|H<1>,3|C<4>}	N[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)2{2|C<3>,2|C<4>,4|H<1>}	120.6970	0.584	8	120.0079	0.737	18	120.0029	0.413	61	120.0604	0.322	88	120.1047	0.878	135	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:3:4:	3:4:4:	C[6,6a]-3:C[6,6a]-3:N[6,6]-3:	C[6,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6,6a]-3:C[6]-4:C[6]-4:	C[6,6,6a](C[6,6a]C[6a]C[6])2(N[6,6]C[6]2)	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(C[6]C[6]HH)	N[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)2	C[6,6,6a](C[6,6a]C[6a]C[6])2(N[6,6]C[6]2){1|C<3>,1|O<2>,2|C<4>,9|H<1>}	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(C[6]C[6]HH){2|C<3>,2|H<1>,3|C<4>}	N[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)2{2|C<3>,2|C<4>,4|H<1>}	119.4566	0.606	10	120.0079	0.737	18	120.0029	0.413	61	120.0604	0.322	88	120.1047	0.878	135	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:3:4:	3:4:4:	C[6,6a]-3:C[6,6a]-3:N[6,6]-3:	C[6,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6,6a]-3:C[6]-4:C[6]-4:	C[6,6,6a](C[6,6a]C[6a]C[6])2(N[6,6]C[6]2)	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]O)(C[6]C[6]CC)	N[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)2	C[6,6,6a](C[6,6a]C[6a]C[6])2(N[6,6]C[6]2){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]O)(C[6]C[6]CC){2|C<3>,2|H<1>,3|C<4>}	N[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)2{2|C<3>,2|C<4>,4|H<1>}	120.7357	0.504	3	120.7357	0.254	3	120.0029	0.413	61	120.0604	0.322	88	120.1047	0.878	135	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:3:4:	3:4:4:	C[6,6a]-3:C[6,6a]-3:N[6,6]-3:	C[6,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6,6a]-3:C[6]-4:C[6]-4:	C[6,6,6a](C[6,6a]C[6a]C[6])2(N[6,6]C[6]2)	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]O)(C[6]C[6]HH)	N[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)2	C[6,6,6a](C[6,6a]C[6a]C[6])2(N[6,6]C[6]2){1|C<3>,1|O<2>,2|C<4>,9|H<1>}	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]O)(C[6]C[6]HH){2|C<3>,2|H<1>,3|C<4>}	N[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)2{2|C<3>,2|C<4>,4|H<1>}	120.3634	0.380	10	120.3634	0.145	10	120.0029	0.413	61	120.0604	0.322	88	120.1047	0.878	135	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:4:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:N[6,6]-3:	C[6,6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6,6a]-3:	C[6,6,6a](C[6,6a]C[5,6]C[6a])(C[6,6a]C[6a]O[6])(N[6,6]C[6,6a]2)	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[5,6]C[5,6a]2C[6,6a])(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6,6a]C[6,6a]2)	C[6,6,6a](C[6,6a]C[5,6]C[6a])(C[6,6a]C[6a]O[6])(N[6,6]C[6,6a]2){2|H<1>,7|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[5,6]C[5,6a]2C[6,6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,8|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6,6a]C[6,6a]2){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	122.2770	0.836	4	122.2770	0.698	4	122.0058	0.892	5	122.0058	0.892	5	120.1047	0.878	135	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:4:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:N[6,6]-3:	C[6,6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6,6a]-3:	C[6,6,6a](C[6,6a]C[5,6]C[6a])(C[6,6a]C[6a]S[6])(N[6,6]C[6,6a]2)	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[5,6]C[5,6a]2C[6,6a])(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6,6a]C[6,6a]2)	C[6,6,6a](C[6,6a]C[5,6]C[6a])(C[6,6a]C[6a]S[6])(N[6,6]C[6,6a]2){2|H<1>,7|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[5,6]C[5,6a]2C[6,6a])(C[6a]C[6a]H){1|H<1>,1|S<2>,8|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6,6a]C[6,6a]2){1|C<4>,1|S<2>,2|H<1>,6|C<3>}	120.9210	0.000	1	120.9210	0.000	1	122.0058	0.892	5	122.0058	0.892	5	120.1047	0.878	135	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:4:3:	3:4:4:	C[6,6a]-3:C[6,6a]-3:N[6,6]-3:	C[6,6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6,6a]-3:C[6]-4:C[6]-4:	C[6,6,6a](C[6,6a]C[5,6]C[6a])2(N[6,6]C[6]2)	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[5,6]C[5,6]O[5]H)(C[6a]C[6a]H)	N[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[5,6]HH)2	C[6,6,6a](C[6,6a]C[5,6]C[6a])2(N[6,6]C[6]2){1|C<3>,2|C<4>,2|O<2>,8|H<1>}	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[5,6]C[5,6]O[5]H)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|H<1>,5|C<4>}	N[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[5,6]HH)2{2|C<3>,2|H<1>,4|C<4>}	120.7780	0.561	2	120.7780	0.315	2	120.7780	0.315	2	120.7780	0.315	2	120.1047	0.878	135	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:4:3:	4:3:4:	C[6,6a]-3:C[6,6a]-3:N[6,6]-3:	C[6,6,6a]-3:S[6]-4:C[6a]-3:	C[6,6]-4:C[6,6,6a]-3:C[6]-4:	C[6,6,6a](C[6,6a]C[6a]C[6])(C[6,6a]C[6a]S[6])(N[6,6]C[6,6]C[6])	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(S[6]N[6,6]OO)(C[6a]C[6a]H)	N[6,6](C[6,6]N[6,6]C[6]H)(C[6,6,6a]C[6,6a]2)(C[6]C[6]CH)	C[6,6,6a](C[6,6a]C[6a]C[6])(C[6,6a]C[6a]S[6])(N[6,6]C[6,6]C[6]){1|N<3>,2|C<3>,2|C<4>,2|O<1>,5|H<1>}	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(S[6]N[6,6]OO)(C[6a]C[6a]H){1|H<1>,2|C<4>,3|C<3>}	N[6,6](C[6,6]N[6,6]C[6]H)(C[6,6,6a]C[6,6a]2)(C[6]C[6]CH){1|C<4>,1|S<4>,3|H<1>,4|C<3>}	123.2390	0.000	1	123.2390	0.000	1	123.2390	0.000	1	123.2390	0.000	1	120.1047	0.878	135	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6,6a]	C[6,6a]	N[6,6]	3:3:3:	4:3:3:	4:3:3:	C[6,6a]-3:N[6,6]-3:C[6,6a]-3:	Ga[6,6]-4:C[6,6,6a]-3:C[6a]-3:	Ga[6,6]-4:C[6,6,6a]-3:C[6]-3:	C[6,6,6a](C[6,6a]Ga[6,6]C[6a])(N[6,6]Ga[6,6]C[6])(C[6,6a]C[6a]C[6])	C[6,6a](Ga[6,6]Cl[6,6]N[6,6]Cl)(C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)	N[6,6](Ga[6,6]C[6,6a]Cl[6,6]Cl)(C[6,6,6a]C[6,6a]2)(C[6]C[6]H)	C[6,6,6a](C[6,6a]Ga[6,6]C[6a])(N[6,6]Ga[6,6]C[6])(C[6,6a]C[6a]C[6]){1|Cl<2>,2|Cl<1>,1|N<3>,3|C<3>,4|H<1>}	C[6,6a](Ga[6,6]Cl[6,6]N[6,6]Cl)(C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H){1|Ga<4>,1|H<1>,5|C<3>}	N[6,6](Ga[6,6]C[6,6a]Cl[6,6]Cl)(C[6,6,6a]C[6,6a]2)(C[6]C[6]H){1|Ga<4>,1|H<1>,5|C<3>}	121.6440	0.120	2	121.6440	0.014	2	121.6440	0.014	2	121.6440	0.014	2	120.1047	0.878	135	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6,6a]	N[6]	3:3:2:	3:3:3:	3:3:2:	C[6,6,6a]-3:N[6]-3:N[6a]-2:	C[6,6a]-3:C[6,6a]-3:C[6,6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(N[6]C[6a]N[6])(N[6a]C[6a])	C[6,6,6a](C[6,6a]C[6a]N[6])(C[6,6a]N[6a]N[6])(C[6,6]C[6]2)	N[6](C[6,6a]C[6,6,6a]N[6a])(C[6a]C[6a]2)(N[6]C[6])	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(N[6]C[6a]N[6])(N[6a]C[6a]){2|N<3>,5|C<3>}	C[6,6,6a](C[6,6a]C[6a]N[6])(C[6,6a]N[6a]N[6])(C[6,6]C[6]2){1|C<2>,1|C<4>,1|N<2>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6,6a]N[6a])(C[6a]C[6a]2)(N[6]C[6]){2|H<1>,6|C<3>}	117.2940	0.000	1	117.2940	0.000	1	117.2940	0.000	1	117.2940	0.000	1	118.2920	2.067	13	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6,6a]	N[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6,6a]-3:N[6]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6,6a]C[6,6,6a]C[6,6a])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[6,6a,6a]2)(C[6,6a]C[6a]N[6])2	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6,6a]C[6a])(C[6a]C[6a]2)	C[6,6a](C[6,6,6a]C[6,6,6a]C[6,6a])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[6,6a,6a]2)(C[6,6a]C[6a]N[6])2{2|H<1>,7|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6,6a]C[6a])(C[6a]C[6a]2){4|H<1>,7|C<3>}	118.0575	0.412	2	118.0575	0.170	2	118.0575	0.170	2	118.0575	0.170	2	118.2920	2.067	13	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6,6a]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6,6a]-3:N[6]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6,6a]C[6,6,6a]C[6,6a])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[6,6a,6a]2)(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]N[6])	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6,6a]C[6a])(CH3)	C[6,6a](C[6,6,6a]C[6,6,6a]C[6,6a])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	C[6,6,6a](C[6,6,6a]C[6,6a,6a]2)(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]N[6]){2|H<1>,3|C<4>,5|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6,6a]C[6a])(CH3){2|H<1>,5|C<3>}	120.2660	0.000	1	120.2660	0.000	1	119.4107	0.614	3	119.0140	1.284	5	118.2920	2.067	13	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6,6a]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6,6a]-3:N[6]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6,6a]C[6,6,6a]C[6,6a])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[6,6a,6a]2)(C[6,6a]C[6a]N[6])2	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6,6a]C[6a])(CCHH)	C[6,6a](C[6,6,6a]C[6,6,6a]C[6,6a])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|H<1>,1|N<3>,4|C<3>}	C[6,6,6a](C[6,6,6a]C[6,6a,6a]2)(C[6,6a]C[6a]N[6])2{2|C<4>,2|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6,6a]C[6a])(CCHH){2|H<1>,5|C<3>}	118.9830	0.362	2	118.9830	0.131	2	119.4107	0.614	3	119.0140	1.284	5	118.2920	2.067	13	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6,6a]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-3:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6,6a](C[6,6a]C[6a]N[6])2(C[6,6]C[6,6a]2)	N[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CCHH)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|H<1>,1|N<3>,4|C<3>}	C[6,6,6a](C[6,6a]C[6a]N[6])2(C[6,6]C[6,6a]2){1|H<1>,1|O<2>,2|C<4>,5|C<3>}	N[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CCHH){2|H<1>,5|C<3>}	119.5870	0.000	1	119.5870	0.000	1	118.4190	2.728	2	119.0140	1.284	5	118.2920	2.067	13	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6,6a]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-3:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(N[6]C[6,6a]C)(C[6a]C[6a]O)	C[6,6,6a](C[6,6a]C[6a]N[6])2(C[6,6]C[6,6a]2)	N[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CCHH)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(N[6]C[6,6a]C)(C[6a]C[6a]O){1|H<1>,1|N<3>,4|C<3>}	C[6,6,6a](C[6,6a]C[6a]N[6])2(C[6,6]C[6,6a]2){1|H<1>,1|O<2>,2|C<4>,5|C<3>}	N[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CCHH){1|H<1>,1|O<2>,5|C<3>}	117.2510	0.000	1	117.2510	0.000	1	118.4190	2.728	2	119.0140	1.284	5	118.2920	2.067	13	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6,6a]	N[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(N[6]C[6]H)	C[6,6,6a](C[6,6a]C[6a]N[6])(C[6,6a]N[6a]N[6])(C[6,6]C[6]2)	N[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]CC)(H)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(N[6]C[6]H){1|N<2>,2|C<3>,2|C<4>,2|N<3>}	C[6,6,6a](C[6,6a]C[6a]N[6])(C[6,6a]N[6a]N[6])(C[6,6]C[6]2){1|C<2>,1|C<4>,1|N<2>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]CC)(H){1|C<2>,1|H<1>,3|C<3>}	119.7110	0.000	1	119.7110	0.000	1	119.7110	0.000	1	119.7110	0.000	1	118.2920	2.067	13	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6,6a]	N[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6,6a](C[6,6a]C[6a]C[6])(C[6,6a]C[6a]N[6])(C[6,6]C[6]2C)	N[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]O)(H)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|O<1>,1|O<2>,4|C<4>}	C[6,6,6a](C[6,6a]C[6a]C[6])(C[6,6a]C[6a]N[6])(C[6,6]C[6]2C){2|C<3>,3|C<4>,7|H<1>}	N[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]O)(H){1|C<4>,2|C<3>,3|H<1>}	119.4140	0.000	1	119.4140	0.000	1	118.2453	1.027	3	118.2453	1.027	3	118.2920	2.067	13	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6,6a]	N[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6,6a](C[6,6a]C[6a]N[6])2(C[6,6]N[6]2H)	N[6](C[6,6a]C[6,6,6a]C[6a])(C[6]N[6]N)(H)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,2|H<1>,4|N<3>}	C[6,6,6a](C[6,6a]C[6a]N[6])2(C[6,6]N[6]2H){3|C<3>,6|H<1>}	N[6](C[6,6a]C[6,6,6a]C[6a])(C[6]N[6]N)(H){1|C<4>,2|C<3>,2|H<1>}	117.6610	0.066	2	117.6610	0.004	2	118.2453	1.027	3	118.2453	1.027	3	118.2920	2.067	13	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6,6a]	N[6]	3:3:3:	3:3:4:	3:3:4:	C[6,6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6,6a](C[6,6a]C[6a]N[6])(C[6,6a]C[6a]O[6])(C[6,6]C[6,6a]2H)	N[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CCHH)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	C[6,6,6a](C[6,6a]C[6a]N[6])(C[6,6a]C[6a]O[6])(C[6,6]C[6,6a]2H){1|C<4>,2|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CCHH){1|C<4>,2|H<1>,4|C<3>}	114.8700	0.000	1	114.8700	0.000	1	114.8700	0.000	1	114.8700	0.000	1	118.2920	2.067	13	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	N[6,6]	3:3:2:	3:3:3:	3:3:3:	C[6,6a,6a]-3:N[6,6]-3:O[6a]-2:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:C[6,6]-3:C[6]-3:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[6,6]C[6,6]C[6])(O[6a]C[6a])	C[6,6a,6a](C[6,6a]N[6,6]O[6a])(C[6,6a]C[6a]C[6])(C[6a,6a]C[6a]2)	N[6,6](C[6,6a]C[6,6a,6a]O[6a])(C[6,6]C[6,6a]C[6])(C[6]C[6a]C[6])	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[6,6]C[6,6]C[6])(O[6a]C[6a]){8|C<3>}	C[6,6a,6a](C[6,6a]N[6,6]O[6a])(C[6,6a]C[6a]C[6])(C[6a,6a]C[6a]2){2|H<1>,6|C<3>}	N[6,6](C[6,6a]C[6,6a,6a]O[6a])(C[6,6]C[6,6a]C[6])(C[6]C[6a]C[6]){9|C<3>}	122.6450	0.000	1	122.6450	0.000	1	122.6450	0.000	1	122.6450	0.000	1	119.5790	7.427	3	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	N[6,6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:B[3x6]-3:B[6]-3:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[6,6]B[3x6]B[6])(C[6a]C[6a]H)	C[6,6a,6a](C[6,6a]N[6,6]C[6a])2(C[6a,6a]C[6a]2)	N[6,6](C[6,6a]C[6,6a,6a]C[6a])(B[3x6]B[6,6,6a]N[6,6])(B[6]B[6]N)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[6,6]B[3x6]B[6])(C[6a]C[6a]H){1|H<1>,2|B<3>,2|N<3>,3|C<3>}	C[6,6a,6a](C[6,6a]N[6,6]C[6a])2(C[6a,6a]C[6a]2){2|C<3>,3|B<3>,4|H<1>}	N[6,6](C[6,6a]C[6,6a,6a]C[6a])(B[3x6]B[6,6,6a]N[6,6])(B[6]B[6]N){1|B<3>,1|H<1>,3|C<3>,3|N<3>}	118.6600	0.000	1	118.6600	0.000	1	118.6600	0.000	1	118.6600	0.000	1	119.5790	7.427	3	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	N[6,6]	3:3:3:	3:3:3:	3:4:4:	C[6,6a,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:C[3x6]-4:C[6]-4:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[6,6]C[3x6]C[6])(C[6a]C[6a]H)	C[6,6a,6a](C[6,6a]N[6,6]C[6a])2(C[6a,6a]C[6a]2)	N[6,6](C[6,6a]C[6,6a,6a]C[6a])(C[3x6]N[6,6]2H)(C[6]C[6]HH)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[6,6]C[3x6]C[6])(C[6a]C[6a]H){1|C<4>,2|N<3>,3|C<3>,4|H<1>}	C[6,6a,6a](C[6,6a]N[6,6]C[6a])2(C[6a,6a]C[6a]2){2|C<3>,3|C<4>,4|H<1>}	N[6,6](C[6,6a]C[6,6a,6a]C[6a])(C[3x6]N[6,6]2H)(C[6]C[6]HH){3|C<3>,3|C<4>,3|H<1>}	117.4320	0.000	1	117.4320	0.000	1	117.4320	0.000	1	117.4320	0.000	1	119.5790	7.427	3	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	N[6]	3:2:3:	3:3:3:	3:3:1:	C[6,6a,6a]-3:N[6a]-2:N[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[6a]C[6a])(N[6]C[6]H)	C[6,6a,6a](C[6,6a]N[6a]N[6])2(C[6a,6a]N[6a]2)	N[6](C[6,6a]C[6,6a,6a]N[6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[6a]C[6a])(N[6]C[6]H){1|N<3>,2|H<1>,3|N<2>}	C[6,6a,6a](C[6,6a]N[6a]N[6])2(C[6a,6a]N[6a]2){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a,6a]N[6a])(C[6]N[6]H)(H){3|C<3>}	117.0160	0.000	1	117.0160	0.000	1	117.0160	0.000	1	117.0160	0.000	1	117.6193	1.610	214	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	N[6]	3:3:3:	3:3:3:	3:2:4:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:C[6]-2:C-4:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a,6a](C[6,6a]C[6a]N[6])2(C[6a,6a]C[6a]2)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6])(CCCH)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C){1|H<1>,1|N<3>,3|C<3>}	C[6,6a,6a](C[6,6a]C[6a]N[6])2(C[6a,6a]C[6a]2){1|C<2>,1|C<4>,3|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6])(CCCH){1|H<1>,4|C<3>}	116.5040	0.000	1	116.6347	0.058	6	116.5424	0.108	7	116.5424	0.108	7	117.6193	1.610	214	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	N[6]	3:3:3:	3:3:3:	3:2:4:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:C[6]-2:C-4:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a,6a](C[6,6a]C[6a]N[6])2(C[6a,6a]C[6a]2)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6])(CCCH)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C){1|H<1>,1|N<3>,3|C<3>}	C[6,6a,6a](C[6,6a]C[6a]N[6])2(C[6a,6a]C[6a]2){1|C<2>,2|C<3>,2|C<4>,4|H<1>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6])(CCCH){1|C<4>,1|H<1>,3|C<3>}	116.6608	0.260	5	116.6347	0.058	6	116.5424	0.108	7	116.5424	0.108	7	117.6193	1.610	214	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	N[6]	3:3:3:	3:3:3:	3:2:4:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:C[6]-2:C-4:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a,6a](C[6,6a]C[6a]N[6])2(C[6a,6a]C[6a]2)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6])(CCHH)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C){1|H<1>,1|N<3>,3|C<3>}	C[6,6a,6a](C[6,6a]C[6a]N[6])2(C[6a,6a]C[6a]2){1|C<2>,2|C<3>,2|C<4>,4|H<1>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6])(CCHH){1|C<4>,1|H<1>,3|C<3>}	115.9890	0.000	1	115.9890	0.000	1	116.5424	0.108	7	116.5424	0.108	7	117.6193	1.610	214	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	C[3x6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:B[6]-3:H-1:	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(N[6]B[6]H)	C[6,6a,6a](C[3x6a]C[6a,6a]2)(C[6,6a]C[6a]N[6])2	N[6](C[6,6a]C[6,6a,6a]C[6a])(B[6]N[6]H)(H)	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(N[6]B[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6,6a,6a](C[3x6a]C[6a,6a]2)(C[6,6a]C[6a]N[6])2{1|B<3>,4|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(B[6]N[6]H)(H){2|H<1>,3|C<3>}	118.4565	0.090	2	118.4565	0.008	2	118.4565	0.008	2	117.1430	1.198	7	117.6193	1.610	214	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:C[5,6]-3:H-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[5,6]H)	C[6,6a,6a](C[6,6a]N[5,6]C[6a])(C[6,6a]C[6a]N[6])(C[6a,6a]C[6a]2)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5,6a]N[5,6])(H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[5,6]H){1|H<1>,1|N<3>,4|C<3>}	C[6,6a,6a](C[6,6a]N[5,6]C[6a])(C[6,6a]C[6a]N[6])(C[6a,6a]C[6a]2){1|B<4>,3|C<3>,5|H<1>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5,6a]N[5,6])(H){1|B<4>,1|H<1>,5|C<3>}	115.7350	0.000	1	115.7350	0.000	1	115.7350	0.000	1	117.1430	1.198	7	117.6193	1.610	214	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a,6a](C[6,6a]C[6a]N[6])2(C[6a,6a]C[6a]2)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[5]N[6])(H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]H){1|H<1>,1|N<3>,4|C<3>}	C[6,6a,6a](C[6,6a]C[6a]N[6])2(C[6a,6a]C[6a]2){3|C<3>,6|H<1>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[5]N[6])(H){1|C<4>,2|H<1>,4|C<3>}	117.3815	0.402	2	117.3815	0.162	2	116.8383	0.459	4	117.1430	1.198	7	117.6193	1.610	214	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a,6a](C[6,6a]C[6a]N[6])2(C[6a,6a]C[6a]2)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]S)(H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]H){1|H<1>,1|N<3>,1|S<2>,3|C<3>}	C[6,6a,6a](C[6,6a]C[6a]N[6])2(C[6a,6a]C[6a]2){3|C<3>,6|H<1>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]S)(H){2|H<1>,3|C<3>}	116.2950	0.187	2	116.2950	0.035	2	116.8383	0.459	4	117.1430	1.198	7	117.6193	1.610	214	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	N[6]	3:3:3:	3:3:3:	3:3:2:	C[6,6a,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-2:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[6]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a,6a](C[6,6a]C[6a]N[6])2(C[6a,6a]C[6a]2)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6])	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[6]C[6a]C[6])(C[6a]C[6a]H){1|H<1>,1|N<3>,5|C<3>}	C[6,6a,6a](C[6,6a]C[6a]N[6])2(C[6a,6a]C[6a]2){1|C<2>,1|C<4>,3|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]){1|C<4>,3|H<1>,5|C<3>}	115.8840	0.000	1	115.8840	0.000	1	115.8840	0.000	1	115.8840	0.000	1	117.6193	1.610	214	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	N[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:C[6]-3:C-3:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a,6a](C[6,6a]C[6a]N[6])2(C[6a,6a]C[6a]2)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]Ir)(CCC)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C){1|Ir<6>,1|H<1>,1|N<3>,3|C<3>}	C[6,6a,6a](C[6,6a]C[6a]N[6])2(C[6a,6a]C[6a]2){4|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]Ir)(CCC){1|H<1>,4|C<3>}	117.7340	1.440	2	117.7340	2.073	2	117.7340	2.073	2	116.4511	0.962	38	117.6193	1.610	214	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	N[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a,6a]-3:N[6]-3:C[6a]-3:	C[6,6,6a]-3:C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a,6a]C[6,6,6a]C[6a,6a])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a,6a](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6a,6a]C[6a]N[6a])(C[6,6a]C[6a]N[6])	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6,6a]C[6a])(C[6a]C[6a]2)	C[6,6a](C[6,6a,6a]C[6,6,6a]C[6a,6a])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,6|C<3>}	C[6,6a,6a](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6a,6a]C[6a]N[6a])(C[6,6a]C[6a]N[6]){2|H<1>,7|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6,6a]C[6a])(C[6a]C[6a]2){4|H<1>,7|C<3>}	118.3845	0.237	2	118.3845	0.056	2	118.3845	0.056	2	116.4511	0.962	38	117.6193	1.610	214	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	N[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[6]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a,6a](C[6,6a]C[6a]N[6])2(C[6a,6a]C[6a]2)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]N[6])(C[6a]C[6a]2)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[6]C[6a]C[6])(C[6a]C[6a]H){1|H<1>,1|N<3>,6|C<3>}	C[6,6a,6a](C[6,6a]C[6a]N[6])2(C[6a,6a]C[6a]2){4|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]N[6])(C[6a]C[6a]2){2|N<3>,3|H<1>,6|C<3>}	117.0960	0.000	1	117.0960	0.000	1	117.0960	0.000	1	116.4511	0.962	38	117.6193	1.610	214	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	N[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[6]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a,6a](C[6,6a]C[6a]N[6])2(C[6a,6a]C[6a]2)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[6]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	C[6,6a,6a](C[6,6a]C[6a]N[6])2(C[6a,6a]C[6a]2){4|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]H){3|H<1>,6|C<3>}	116.1180	0.202	2	116.1180	0.041	2	116.2366	0.649	33	116.4511	0.962	38	117.6193	1.610	214	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	N[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[6]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a,6a](C[6,6a]C[6a]N[6])2(C[6a,6a]C[6a]2)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]Ir)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[6]C[6a]C[6])(C[6a]C[6a]H){1|Ir<6>,1|H<1>,1|N<3>,5|C<3>}	C[6,6a,6a](C[6,6a]C[6a]N[6])2(C[6a,6a]C[6a]2){1|C<4>,4|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]Ir){1|C<4>,2|H<1>,5|C<3>}	115.4351	0.821	9	116.0723	0.567	26	116.2366	0.649	33	116.4511	0.962	38	117.6193	1.610	214	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	N[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[6]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a,6a](C[6,6a]C[6a]N[6])2(C[6a,6a]C[6a]2)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]Ir)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[6]C[6a]C[6])(C[6a]C[6a]H){1|Ir<6>,1|H<1>,1|N<3>,5|C<3>}	C[6,6a,6a](C[6,6a]C[6a]N[6])2(C[6a,6a]C[6a]2){1|C<4>,4|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]Ir){1|C<4>,3|H<1>,5|C<3>}	116.5389	0.423	10	116.0723	0.567	26	116.2366	0.649	33	116.4511	0.962	38	117.6193	1.610	214	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	N[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[6]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a,6a](C[6,6a]C[6a]N[6])2(C[6a,6a]C[6a]2)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]Ir)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[6]C[6a]C[6])(C[6a]C[6a]H){1|Ir<6>,1|H<1>,1|N<3>,5|C<3>}	C[6,6a,6a](C[6,6a]C[6a]N[6])2(C[6a,6a]C[6a]2){4|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]Ir){3|H<1>,6|C<3>}	116.6610	0.600	2	116.0723	0.567	26	116.2366	0.649	33	116.4511	0.962	38	117.6193	1.610	214	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	N[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[6]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a,6a](C[6,6a]C[6a]N[6])2(C[6a,6a]C[6a]2)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]Ir)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[6]C[6a]C[6])(C[6a]C[6a]H){1|Ir<7>,1|H<1>,1|N<3>,5|C<3>}	C[6,6a,6a](C[6,6a]C[6a]N[6])2(C[6a,6a]C[6a]2){1|C<4>,4|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]Ir){1|C<4>,2|H<1>,5|C<3>}	116.0506	0.263	5	116.0723	0.567	26	116.2366	0.649	33	116.4511	0.962	38	117.6193	1.610	214	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	N[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[6]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a,6a](C[6,6a]C[6a]N[6])2(C[6a,6a]C[6a]2)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]Rh)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[6]C[6a]C[6])(C[6a]C[6a]H){1|Rh<6>,1|H<1>,1|N<3>,5|C<3>}	C[6,6a,6a](C[6,6a]C[6a]N[6])2(C[6a,6a]C[6a]2){1|C<4>,4|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]Rh){1|C<4>,3|H<1>,5|C<3>}	116.4620	0.000	1	116.4620	0.000	1	116.2366	0.649	33	116.4511	0.962	38	117.6193	1.610	214	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	N[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[6]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a,6a](C[6,6a]C[6a]N[6])2(C[6a,6a]C[6a]2)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]S)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[6]C[6a]C[6])(C[6a]C[6a]H){1|H<1>,1|N<3>,1|S<1>,5|C<3>}	C[6,6a,6a](C[6,6a]C[6a]N[6])2(C[6a,6a]C[6a]2){4|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]S){3|H<1>,6|C<3>}	117.3073	0.628	4	117.3073	0.395	4	116.2366	0.649	33	116.4511	0.962	38	117.6193	1.610	214	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:As[6]-3:C-4:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]As[6]C)	C[6,6a,6a](C[6,6a]C[6a]N[6])2(C[6a,6a]C[6a]2)	N[6](C[6,6a]C[6,6a,6a]C[6a])(As[6]N[6]Cl)(CCCH)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]As[6]C){1|Cl<1>,1|H<1>,1|N<3>,3|C<3>}	C[6,6a,6a](C[6,6a]C[6a]N[6])2(C[6a,6a]C[6a]2){1|As<3>,2|C<3>,2|C<4>,4|H<1>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(As[6]N[6]Cl)(CCCH){1|C<4>,1|H<1>,3|C<3>}	120.4495	0.114	2	120.4495	0.013	2	120.4495	0.013	2	117.6028	1.216	80	117.6193	1.610	214	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a,6a](C[6,6a]C[6a]N[6])2(C[6a,6a]C[6a]2)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]N[6])(CCCH)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C){1|H<1>,1|N<3>,4|C<3>}	C[6,6a,6a](C[6,6a]C[6a]N[6])2(C[6a,6a]C[6a]2){2|C<4>,3|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]N[6])(CCCH){1|C<4>,1|H<1>,2|N<3>,3|C<3>}	118.6330	0.550	2	118.6330	0.303	2	117.1245	0.572	57	117.6028	1.216	80	117.6193	1.610	214	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a,6a](C[6,6a]C[6a]N[6])2(C[6a,6a]C[6a]2)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]N[6])(CC[6a]HH)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C){1|H<1>,1|N<3>,4|C<3>}	C[6,6a,6a](C[6,6a]C[6a]N[6])2(C[6a,6a]C[6a]2){2|C<4>,3|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]N[6])(CC[6a]HH){1|C<4>,1|H<1>,2|N<3>,3|C<3>}	117.5660	0.137	2	117.5660	0.019	2	117.1245	0.572	57	117.6028	1.216	80	117.6193	1.610	214	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a,6a](C[6,6a]C[6a]N[6])2(C[6a,6a]C[6a]2)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6a]N[6])(CH3)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C){1|H<1>,1|N<3>,4|C<3>}	C[6,6a,6a](C[6,6a]C[6a]N[6])2(C[6a,6a]C[6a]2){2|C<4>,3|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6a]N[6])(CH3){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	116.8310	0.047	2	116.8310	0.002	2	117.1245	0.572	57	117.6028	1.216	80	117.6193	1.610	214	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a,6a](C[6,6a]C[6a]N[6])2(C[6a,6a]C[6a]2)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]H)(CCCH)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C){1|N<3>,2|H<1>,3|C<3>}	C[6,6a,6a](C[6,6a]C[6a]N[6])2(C[6a,6a]C[6a]2){2|C<4>,3|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	116.3905	0.353	4	116.3905	0.125	4	117.1245	0.572	57	117.6028	1.216	80	117.6193	1.610	214	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a,6a](C[6,6a]C[6a]N[6])2(C[6a,6a]C[6a]2)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]H)(CC[6a]HH)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C){1|N<3>,2|H<1>,3|C<3>}	C[6,6a,6a](C[6,6a]C[6a]N[6])2(C[6a,6a]C[6a]2){2|C<4>,3|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]H)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	116.0505	0.424	2	116.0505	0.179	2	117.1245	0.572	57	117.6028	1.216	80	117.6193	1.610	214	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a,6a](C[6,6a]C[6a]N[6])2(C[6a,6a]C[6a]2)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]Ir)(CCCH)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C){1|Ir<6>,1|H<1>,1|N<3>,3|C<3>}	C[6,6a,6a](C[6,6a]C[6a]N[6])2(C[6a,6a]C[6a]2){1|C<4>,4|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]Ir)(CCCH){1|H<1>,4|C<3>}	117.2315	0.110	2	117.2315	0.012	2	117.1245	0.572	57	117.6028	1.216	80	117.6193	1.610	214	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a,6a](C[6,6a]C[6a]N[6])2(C[6a,6a]C[6a]2)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]Ir)(CC[6a]HH)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C){1|Ir<6>,1|H<1>,1|N<3>,3|C<3>}	C[6,6a,6a](C[6,6a]C[6a]N[6])2(C[6a,6a]C[6a]2){2|C<4>,3|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]Ir)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	116.7670	0.000	1	116.7670	0.000	1	117.1245	0.572	57	117.6028	1.216	80	117.6193	1.610	214	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a,6a](C[6,6a]C[6a]N[6])2(C[6a,6a]C[6a]2)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]Ir)(CH3)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C){1|Ir<6>,1|H<1>,1|N<3>,3|C<3>}	C[6,6a,6a](C[6,6a]C[6a]N[6])2(C[6a,6a]C[6a]2){1|C<4>,4|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]Ir)(CH3){1|H<1>,4|C<3>}	117.4987	0.998	15	117.3866	0.783	21	117.1245	0.572	57	117.6028	1.216	80	117.6193	1.610	214	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a,6a](C[6,6a]C[6a]N[6])2(C[6a,6a]C[6a]2)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]Ir)(CH3)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C){1|Ir<6>,1|H<1>,1|N<3>,3|C<3>}	C[6,6a,6a](C[6,6a]C[6a]N[6])2(C[6a,6a]C[6a]2){2|C<4>,3|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]Ir)(CH3){1|C<4>,1|H<1>,3|C<3>}	116.9050	0.000	1	117.3866	0.783	21	117.1245	0.572	57	117.6028	1.216	80	117.6193	1.610	214	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a,6a](C[6,6a]C[6a]N[6])2(C[6a,6a]C[6a]2)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]Ir)(CH3)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C){1|Ir<7>,1|H<1>,1|N<3>,3|C<3>}	C[6,6a,6a](C[6,6a]C[6a]N[6])2(C[6a,6a]C[6a]2){1|C<4>,4|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]Ir)(CH3){1|H<1>,4|C<3>}	117.1466	0.505	5	117.3866	0.783	21	117.1245	0.572	57	117.6028	1.216	80	117.6193	1.610	214	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a,6a](C[6,6a]C[6a]N[6])2(C[6a,6a]C[6a]2)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]Ir)(CHHO)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C){1|Ir<6>,1|H<1>,1|N<3>,3|C<3>}	C[6,6a,6a](C[6,6a]C[6a]N[6])2(C[6a,6a]C[6a]2){1|C<4>,4|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]Ir)(CHHO){1|H<1>,4|C<3>}	117.0600	0.515	2	117.0600	0.265	2	117.1245	0.572	57	117.6028	1.216	80	117.6193	1.610	214	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a,6a](C[6,6a]C[6a]N[6])2(C[6a,6a]C[6a]2)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]Ir)(CHHP)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C){1|Ir<4>,1|H<1>,1|N<3>,3|C<3>}	C[6,6a,6a](C[6,6a]C[6a]N[6])2(C[6a,6a]C[6a]2){2|C<4>,3|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]Ir)(CHHP){1|C<4>,1|H<1>,3|C<3>}	116.5295	0.036	2	116.6917	0.027	6	117.1245	0.572	57	117.6028	1.216	80	117.6193	1.610	214	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a,6a](C[6,6a]C[6a]N[6])2(C[6a,6a]C[6a]2)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]Ir)(CHHP)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C){1|Ir<6>,1|H<1>,1|N<3>,3|C<3>}	C[6,6a,6a](C[6,6a]C[6a]N[6])2(C[6a,6a]C[6a]2){2|C<4>,3|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]Ir)(CHHP){1|C<4>,1|H<1>,3|C<3>}	116.7728	0.135	4	116.6917	0.027	6	117.1245	0.572	57	117.6028	1.216	80	117.6193	1.610	214	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a,6a](C[6,6a]C[6a]N[6])2(C[6a,6a]C[6a]2)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]Os)(CHHP)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C){1|Os<6>,1|H<1>,1|N<3>,3|C<3>}	C[6,6a,6a](C[6,6a]C[6a]N[6])2(C[6a,6a]C[6a]2){2|C<4>,3|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]Os)(CHHP){1|C<4>,1|H<1>,3|C<3>}	117.1870	1.399	2	117.1870	1.956	2	117.1245	0.572	57	117.6028	1.216	80	117.6193	1.610	214	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a,6a](C[6,6a]C[6a]N[6])2(C[6a,6a]C[6a]2)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]Rh)(CH3)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C){1|Rh<6>,1|H<1>,1|N<3>,3|C<3>}	C[6,6a,6a](C[6,6a]C[6a]N[6])2(C[6a,6a]C[6a]2){1|C<4>,4|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]Rh)(CH3){1|H<1>,4|C<3>}	116.8630	0.000	1	116.8630	0.000	1	117.1245	0.572	57	117.6028	1.216	80	117.6193	1.610	214	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a,6a](C[6,6a]C[6a]N[6])2(C[6a,6a]C[6a]2)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]Rh)(CHHP)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C){1|Rh<4>,1|H<1>,1|N<3>,3|C<3>}	C[6,6a,6a](C[6,6a]C[6a]N[6])2(C[6a,6a]C[6a]2){2|C<4>,3|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]Rh)(CHHP){1|C<4>,1|H<1>,3|C<3>}	117.2850	0.028	4	117.2850	0.001	4	117.1245	0.572	57	117.6028	1.216	80	117.6193	1.610	214	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a,6a](C[6,6a]C[6a]N[6])2(C[6a,6a]C[6a]2)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]Ru)(CHHP)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C){1|Ru<6>,1|H<1>,1|N<3>,3|C<3>}	C[6,6a,6a](C[6,6a]C[6a]N[6])2(C[6a,6a]C[6a]2){2|C<4>,3|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]Ru)(CHHP){1|C<4>,1|H<1>,3|C<3>}	116.8960	0.261	6	116.8960	0.068	6	117.1245	0.572	57	117.6028	1.216	80	117.6193	1.610	214	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	C[6a,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6,6a]N[6a]C[6])	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]O)(CH3)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C[6,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6,6a]N[6a]C[6]){2|C<4>,2|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]O)(CH3){1|C<4>,1|H<1>,4|C<3>}	119.4510	0.000	1	120.0127	0.381	3	120.0127	0.381	3	117.6028	1.216	80	117.6193	1.610	214	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	C[6a,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6,6a]N[6a]C[6])	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]O)(CH3)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C[6,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6,6a]N[6a]C[6]){2|H<1>,3|C<4>,4|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]O)(CH3){1|H<1>,2|C<4>,3|C<3>}	120.2935	0.538	2	120.0127	0.381	3	120.0127	0.381	3	117.6028	1.216	80	117.6193	1.610	214	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a,6a]-3:N[6]-3:C[6a]-3:	C[6,6,6a]-3:C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a,6a]C[6,6,6a]C[6a,6a])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a,6a](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6a,6a]C[6a]N[6a])(C[6,6a]C[6a]N[6])	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6,6a]C[6a])(CCHH)	C[6,6a](C[6,6a,6a]C[6,6,6a]C[6a,6a])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|H<1>,1|N<3>,4|C<3>}	C[6,6a,6a](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6a,6a]C[6a]N[6a])(C[6,6a]C[6a]N[6]){2|C<4>,2|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6,6a]C[6a])(CCHH){2|H<1>,5|C<3>}	118.8275	0.047	2	118.8275	0.002	2	118.7417	0.023	3	117.6028	1.216	80	117.6193	1.610	214	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a,6a]-3:N[6]-3:C[6a]-3:	C[6,6,6a]-3:C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a,6a]C[6,6,6a]C[6a,6a])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a,6a](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6a,6a]C[6a]N[6a])(C[6,6a]C[6a]N[6])	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6,6a]C[6a])(CH3)	C[6,6a](C[6,6a,6a]C[6,6,6a]C[6a,6a])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|H<1>,1|N<3>,4|C<3>}	C[6,6a,6a](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6a,6a]C[6a]N[6a])(C[6,6a]C[6a]N[6]){2|C<4>,2|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6,6a]C[6a])(CH3){2|H<1>,5|C<3>}	118.5700	0.000	1	118.5700	0.000	1	118.7417	0.023	3	117.6028	1.216	80	117.6193	1.610	214	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a,6a]-3:N[6]-3:C[6a]-3:	C[6,6a,6a]-3:C[3x6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[3x6a])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[3x6a]C[6a,6a]2)(C[6,6a]C[6a]N[6])	N[6](C[6,6a]C[6,6a,6a]C[6a])2(CH3)	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[3x6a])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|N<3>,5|C<3>}	C[6,6a,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[3x6a]C[6a,6a]2)(C[6,6a]C[6a]N[6]){1|C<4>,1|H<1>,1|N<3>,6|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])2(CH3){2|H<1>,5|C<3>}	117.8210	0.000	1	117.8210	0.000	1	117.8210	0.000	1	117.6028	1.216	80	117.6193	1.610	214	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a,6a]-3:N[6]-3:C[6a]-3:	C[6,6a,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6,6a]C[6a]N[6])(C[6a,6a]C[6a]2)	N[6](C[6,6a]C[6,6a,6a]C[6a])2(CH3)	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|H<1>,5|C<3>}	C[6,6a,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6,6a]C[6a]N[6])(C[6a,6a]C[6a]2){1|C<4>,2|H<1>,2|N<3>,4|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])2(CH3){2|H<1>,5|C<3>}	119.4450	0.000	1	119.4450	0.000	1	119.4450	0.000	1	117.6028	1.216	80	117.6193	1.610	214	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a]N[6a])(C[6,6a]C[6a]N[6])	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CCHH)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|H<1>,1|N<3>,4|C<3>}	C[6,6a,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a]N[6a])(C[6,6a]C[6a]N[6]){1|H<1>,1|N<3>,2|C<4>,5|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CCHH){2|H<1>,5|C<3>}	118.8320	0.346	2	118.4789	0.268	8	118.2845	0.264	13	117.6028	1.216	80	117.6193	1.610	214	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a]N[6a])(C[6,6a]C[6a]N[6])	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CCHH)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|H<1>,1|N<3>,4|C<3>}	C[6,6a,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a]N[6a])(C[6,6a]C[6a]N[6]){1|H<1>,2|C<4>,6|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CCHH){2|H<1>,5|C<3>}	118.3005	0.142	2	118.4789	0.268	8	118.2845	0.264	13	117.6028	1.216	80	117.6193	1.610	214	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a]N[6a])(C[6,6a]C[6a]N[6])	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CCHH)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|H<1>,1|N<3>,4|C<3>}	C[6,6a,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a]N[6a])(C[6,6a]C[6a]N[6]){2|C<4>,2|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CCHH){2|H<1>,5|C<3>}	118.3915	0.681	4	118.4789	0.268	8	118.2845	0.264	13	117.6028	1.216	80	117.6193	1.610	214	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[6]C[6,6a]C)(C[6a]C[6a]N)	C[6,6a,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a]N[6a])(C[6,6a]C[6a]N[6])	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CCHH)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[6]C[6,6a]C)(C[6a]C[6a]N){1|H<1>,1|N<3>,4|C<3>}	C[6,6a,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a]N[6a])(C[6,6a]C[6a]N[6]){1|H<1>,1|N<3>,2|C<4>,5|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CCHH){1|H<1>,1|N<3>,5|C<3>}	117.8600	0.287	4	117.8600	0.082	4	118.2845	0.264	13	117.6028	1.216	80	117.6193	1.610	214	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[6]C[6,6a]C)(C[6a]C[6a]O)	C[6,6a,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a]N[6a])(C[6,6a]C[6a]N[6])	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CCHH)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[6]C[6,6a]C)(C[6a]C[6a]O){1|H<1>,1|N<3>,4|C<3>}	C[6,6a,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a]N[6a])(C[6,6a]C[6a]N[6]){1|H<1>,1|O<2>,2|C<4>,5|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CCHH){1|H<1>,1|O<2>,5|C<3>}	118.4280	0.000	1	118.4280	0.000	1	118.2845	0.264	13	117.6028	1.216	80	117.6193	1.610	214	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	N[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:B[6]-4:H-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]B[6]H)	C[6,6a,6a](C[6,6a]C[6a]N[6])2(C[6a,6a]C[6a]2)	N[6](C[6,6a]C[6,6a,6a]C[6a])(B[6]B[6]N[6]Mg)(H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]B[6]H){1|Mg<7>,1|B<4>,1|H<1>,1|N<3>,3|C<3>}	C[6,6a,6a](C[6,6a]C[6a]N[6])2(C[6a,6a]C[6a]2){1|Mg<7>,1|B<4>,2|C<3>,5|H<1>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(B[6]B[6]N[6]Mg)(H){1|H<1>,2|N<3>,3|C<3>}	117.4220	0.247	2	117.4220	0.061	2	117.3353	0.053	3	117.3912	0.200	5	117.6193	1.610	214	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	N[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:B[6]-4:H-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]B[6]H)	C[6,6a,6a](C[6,6a]C[6a]N[6])2(C[6a,6a]C[6a]2)	N[6](C[6,6a]C[6,6a,6a]C[6a])(B[6]B[6]N[6]Sr)(H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]B[6]H){1|Sr<8>,1|B<4>,1|H<1>,1|N<3>,3|C<3>}	C[6,6a,6a](C[6,6a]C[6a]N[6])2(C[6a,6a]C[6a]2){1|Sr<8>,1|B<4>,2|C<3>,5|H<1>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(B[6]B[6]N[6]Sr)(H){1|H<1>,2|N<3>,3|C<3>}	117.1620	0.000	1	117.1620	0.000	1	117.3353	0.053	3	117.3912	0.200	5	117.6193	1.610	214	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	N[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6,6]H)	C[6,6a,6a](C[6,6a]C[6a]N[6])2(C[6a,6a]C[6a]2)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6]C[6]2N[6])(H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6,6]H){1|H<1>,1|N<3>,5|C<3>}	C[6,6a,6a](C[6,6a]C[6a]N[6])2(C[6a,6a]C[6a]2){1|C<4>,2|C<3>,6|H<1>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6]C[6]2N[6])(H){1|O<1>,3|H<1>,5|C<3>}	118.0540	0.000	1	118.0540	0.000	1	118.0540	0.000	1	117.3912	0.200	5	117.6193	1.610	214	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	N[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a,6a](C[6,6a]C[6a]N[6])2(C[6a,6a]C[6a]2)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]CC)(H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]H){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	C[6,6a,6a](C[6,6a]C[6a]N[6])2(C[6a,6a]C[6a]2){1|C<4>,2|C<3>,6|H<1>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]CC)(H){2|H<1>,3|C<3>}	116.8960	0.000	1	116.8960	0.000	1	116.8960	0.000	1	117.3912	0.200	5	117.6193	1.610	214	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	N[6]	3:3:3:	3:3:3:	3:4:3:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	C[6a,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[5,6a]H)(N[6]C[6]C)	C[6,6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]N[6])	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]HH)(COO)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[5,6a]H)(N[6]C[6]C){1|C<4>,2|H<1>,4|C<3>}	C[6,6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]N[6]){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]HH)(COO){3|C<3>,3|H<1>}	117.5580	0.000	1	117.4520	0.091	3	117.4228	0.069	5	117.4228	0.069	5	117.6193	1.610	214	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	N[6]	3:3:3:	3:3:3:	3:4:3:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	C[6a,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[5,6a]H)(N[6]C[6]C)	C[6,6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]N[6])	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]HH)(COO)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[5,6a]H)(N[6]C[6]C){2|C<4>,2|H<1>,3|C<3>}	C[6,6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]N[6]){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]HH)(COO){3|C<3>,3|H<1>}	117.3990	0.407	2	117.4520	0.091	3	117.4228	0.069	5	117.4228	0.069	5	117.6193	1.610	214	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	N[6]	3:3:3:	3:3:3:	3:4:3:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	C[6a,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a,6a]C[6a])(N[6]C[6]C)	C[6,6a,6a](C[6a,6a]C[6a,6a]C[5,6a])(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]N[6])	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]HH)(CN[6]O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a,6a]C[6a])(N[6]C[6]C){1|C<4>,2|H<1>,6|C<3>}	C[6,6a,6a](C[6a,6a]C[6a,6a]C[5,6a])(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]N[6]){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]HH)(CN[6]O){2|H<1>,4|C<3>}	117.3790	0.296	2	117.3790	0.087	2	117.4228	0.069	5	117.4228	0.069	5	117.6193	1.610	214	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	C[3x6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:B[6,6]-4:C-4:	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(N[6]B[6,6]C)	C[6,6a,6a](C[3x6a]C[6a,6a]2)(C[6,6a]C[6a]N[6])(C[6,6a]C[6a]O[6])	N[6](C[6,6a]C[6,6a,6a]C[6a])(B[6,6]N[6]O[6]2)(CCHH)	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(N[6]B[6,6]C){1|H<1>,1|N<3>,2|O<2>,3|C<3>}	C[6,6a,6a](C[3x6a]C[6a,6a]2)(C[6,6a]C[6a]N[6])(C[6,6a]C[6a]O[6]){1|B<4>,1|C<4>,2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(B[6,6]N[6]O[6]2)(CCHH){1|C<4>,1|H<1>,5|C<3>}	118.6314	0.287	30	118.6314	0.083	30	118.7348	0.208	36	118.3914	1.018	67	117.6193	1.610	214	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	C[3x6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:B[6,6]-4:C-4:	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(N[6]B[6,6]C)	C[6,6a,6a](C[3x6a]C[6a,6a]2)(C[6,6a]C[6a]N[6])(C[6,6a]C[6a]O[6])	N[6](C[6,6a]C[6,6a,6a]C[6a])(B[6,6]N[6]O[6]2)(CC[6]HH)	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(N[6]B[6,6]C){1|H<1>,1|N<3>,2|O<2>,3|C<3>}	C[6,6a,6a](C[3x6a]C[6a,6a]2)(C[6,6a]C[6a]N[6])(C[6,6a]C[6a]O[6]){1|B<4>,1|C<4>,2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(B[6,6]N[6]O[6]2)(CC[6]HH){1|C<4>,1|H<1>,5|C<3>}	118.2570	0.000	1	118.2570	0.000	1	118.7348	0.208	36	118.3914	1.018	67	117.6193	1.610	214	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	C[3x6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:B[6,6]-4:C-4:	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(N[6]B[6,6]C)	C[6,6a,6a](C[3x6a]C[6a,6a]2)(C[6,6a]C[6a]N[6])(C[6,6a]C[6a]O[6])	N[6](C[6,6a]C[6,6a,6a]C[6a])(B[6,6]N[6]O[6]2)(CC[6a]HH)	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(N[6]B[6,6]C){1|H<1>,1|N<3>,2|O<2>,3|C<3>}	C[6,6a,6a](C[3x6a]C[6a,6a]2)(C[6,6a]C[6a]N[6])(C[6,6a]C[6a]O[6]){1|B<4>,1|C<4>,2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(B[6,6]N[6]O[6]2)(CC[6a]HH){1|C<4>,1|H<1>,5|C<3>}	118.3140	0.000	1	118.3140	0.000	1	118.7348	0.208	36	118.3914	1.018	67	117.6193	1.610	214	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	C[3x6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:B[6,6]-4:C-4:	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(N[6]B[6,6]C)	C[6,6a,6a](C[3x6a]C[6a,6a]2)(C[6,6a]C[6a]N[6])2	N[6](C[6,6a]C[6,6a,6a]C[6a])(B[6,6]N[6]3)(CH3)	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(N[6]B[6,6]C){1|H<1>,3|C<3>,3|N<3>}	C[6,6a,6a](C[3x6a]C[6a,6a]2)(C[6,6a]C[6a]N[6])2{1|B<4>,2|C<4>,2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(B[6,6]N[6]3)(CH3){1|H<1>,3|C<4>,5|C<3>}	119.7350	0.239	4	119.7350	0.057	4	118.7348	0.208	36	118.3914	1.018	67	117.6193	1.610	214	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:C[5,6]-4:C-4:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[5,6]C)	C[6,6a,6a](C[6,6a]C[6a]N[6])2(C[6a,6a]C[6a]2)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5]2N[6])(CH3)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[5,6]C){1|H<1>,1|N<3>,5|C<3>}	C[6,6a,6a](C[6,6a]C[6a]N[6])2(C[6a,6a]C[6a]2){2|C<3>,3|C<4>,4|H<1>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5]2N[6])(CH3){1|C<4>,1|H<1>,2|O<1>,5|C<3>}	118.2105	0.634	2	118.2105	0.402	2	117.9890	0.348	3	118.3914	1.018	67	117.6193	1.610	214	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:C[5,6]-4:C-4:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[5,6]C)	C[6,6a,6a](C[6,6a]N[5,6]C[6a])(C[6,6a]C[6a]N[6])(C[6a,6a]C[6a]2)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]N[5,6]C[5]C)(CC[6a]HH)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[5,6]C){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	C[6,6a,6a](C[6,6a]N[5,6]C[6a])(C[6,6a]C[6a]N[6])(C[6a,6a]C[6a]2){2|C<3>,3|C<4>,4|H<1>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]N[5,6]C[5]C)(CC[6a]HH){2|C<4>,3|C<3>,3|H<1>}	117.5460	0.000	1	117.5460	0.000	1	117.9890	0.348	3	118.3914	1.018	67	117.6193	1.610	214	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a,6a](C[6,6a]C[6a]N[6])2(C[6a,6a]C[6a]2)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6a]N[6]H)(CN[5]HH)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C){1|N<3>,2|H<1>,4|C<3>}	C[6,6a,6a](C[6,6a]C[6a]N[6])2(C[6a,6a]C[6a]2){2|C<3>,3|C<4>,4|H<1>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6a]N[6]H)(CN[5]HH){1|C<4>,1|H<1>,5|C<3>}	116.2455	1.125	2	116.2455	1.266	2	117.7794	1.335	26	118.3914	1.018	67	117.6193	1.610	214	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a,6a](C[6,6a]C[6a]N[6])2(C[6a,6a]C[6a]2)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6a]N[6]H)(CN[5a]HH)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C){1|N<3>,2|H<1>,4|C<3>}	C[6,6a,6a](C[6,6a]C[6a]N[6])2(C[6a,6a]C[6a]2){2|C<3>,3|C<4>,4|H<1>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6a]N[6]H)(CN[5a]HH){1|C<4>,1|H<1>,5|C<3>}	116.5590	0.000	1	116.5590	0.000	1	117.7794	1.335	26	118.3914	1.018	67	117.6193	1.610	214	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a,6a](C[6,6a]C[6a]N[6])2(C[6a,6a]C[6a]2)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]CC)(CH3)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	C[6,6a,6a](C[6,6a]C[6a]N[6])2(C[6a,6a]C[6a]2){2|C<3>,3|C<4>,4|H<1>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]CC)(CH3){1|C<4>,1|H<1>,3|C<3>}	118.4269	0.636	15	118.4269	0.404	15	117.7794	1.335	26	118.3914	1.018	67	117.6193	1.610	214	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a,6a](C[6,6a]C[6a]N[6])2(C[6a,6a]C[6a]2)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]HH)(CH3)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C){1|N<4>,3|C<3>,3|H<1>}	C[6,6a,6a](C[6,6a]C[6a]N[6])2(C[6a,6a]C[6a]2){2|C<3>,4|C<4>,4|H<1>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]HH)(CH3){1|H<1>,2|C<4>,3|C<3>}	115.7270	0.000	1	115.7270	0.000	1	117.7794	1.335	26	118.3914	1.018	67	117.6193	1.610	214	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a,6a](C[6,6a]C[6a]N[6])2(C[6a,6a]C[6a]2)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]HH)(CHHP)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C){1|N<3>,3|C<3>,3|H<1>}	C[6,6a,6a](C[6,6a]C[6a]N[6])2(C[6a,6a]C[6a]2){2|C<3>,3|C<4>,4|H<1>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]HH)(CHHP){1|C<4>,1|H<1>,3|C<3>}	117.2053	1.247	6	117.2977	1.355	7	117.7794	1.335	26	118.3914	1.018	67	117.6193	1.610	214	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a,6a](C[6,6a]C[6a]N[6])2(C[6a,6a]C[6a]2)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]HH)(CHHP)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C){1|N<4>,3|C<3>,3|H<1>}	C[6,6a,6a](C[6,6a]C[6a]N[6])2(C[6a,6a]C[6a]2){1|Ru<6>,2|C<3>,3|C<4>,4|H<1>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]HH)(CHHP){1|Ru<6>,1|C<4>,1|H<1>,3|C<3>}	117.8520	0.000	1	117.2977	1.355	7	117.7794	1.335	26	118.3914	1.018	67	117.6193	1.610	214	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:Ge[6]-4:P-4:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]Ge[6]P)	C[6,6a,6a](C[6,6a]C[6a]N[6])2(C[6a,6a]C[6a]2)	N[6](C[6,6a]C[6,6a,6a]C[6a])(Ge[6]N[6]ClS)(PC3)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]Ge[6]P){1|Cl<1>,1|H<1>,1|N<3>,1|S<1>,3|C<3>}	C[6,6a,6a](C[6,6a]C[6a]N[6])2(C[6a,6a]C[6a]2){1|Ge<4>,2|C<3>,2|P<4>,4|H<1>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(Ge[6]N[6]ClS)(PC3){1|H<1>,1|P<4>,3|C<3>}	120.7695	0.128	2	120.7695	0.016	2	120.7695	0.016	2	118.3914	1.018	67	117.6193	1.610	214	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	N[6]	3:3:3:	3:3:3:	3:6:4:	C[6,6a,6a]-3:N[6]-3:C[6a]-3:	C[3x6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:Si[3x6]-6:C-4:	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(N[6]Si[3x6]C)(C[6a]C[6a]H)	C[6,6a,6a](C[3x6a]C[6a,6a]2)(C[6,6a]C[6a]N[6])(C[6,6a]C[6a]O[6])	N[6](C[6,6a]C[6,6a,6a]C[6a])(Si[3x6]N[6]2O[6]3)(CCHH)	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(N[6]Si[3x6]C)(C[6a]C[6a]H){1|H<1>,2|N<3>,3|C<3>,3|O<2>}	C[6,6a,6a](C[3x6a]C[6a,6a]2)(C[6,6a]C[6a]N[6])(C[6,6a]C[6a]O[6]){1|Si<6>,1|C<4>,2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(Si[3x6]N[6]2O[6]3)(CCHH){1|H<1>,2|C<4>,7|C<3>}	120.7250	0.676	3	120.7250	0.456	3	120.7250	0.456	3	120.7250	0.456	3	117.6193	1.610	214	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6,6]	3:3:2:	3:3:3:	3:3:4:	C[6,6a]-3:N[6,6]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:B[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]B[6])(N[6a]C[6a])	C[6,6a](C[6,6a]N[6,6]N[6a])(C[6a]C[6a]C)(C[6]C[6]H)	N[6,6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6]N[6])(B[6]O[6]FF)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]B[6])(N[6a]C[6a]){1|H<1>,1|N<2>,1|O<2>,2|C<3>,2|C<4>,2|F<1>}	C[6,6a](C[6,6a]N[6,6]N[6a])(C[6a]C[6a]C)(C[6]C[6]H){1|B<4>,2|C<3>,2|H<1>}	N[6,6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6]N[6])(B[6]O[6]FF){1|H<1>,4|C<3>}	120.6165	0.449	6	120.6165	0.202	6	120.7620	0.283	21	120.6430	0.496	23	120.4149	2.662	212	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6,6]	3:3:2:	3:3:3:	3:3:4:	C[6,6a]-3:N[6,6]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:B[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]B[6])(N[6a]C[6a])	C[6,6a](C[6,6a]N[6,6]N[6a])(C[6a]C[6a]H)(C[6]C[6]C)	N[6,6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6]2)(B[6]O[6]FF)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]B[6])(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|F<1>,3|C<3>}	C[6,6a](C[6,6a]N[6,6]N[6a])(C[6a]C[6a]H)(C[6]C[6]C){1|B<4>,2|C<3>,2|H<1>}	N[6,6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6]2)(B[6]O[6]FF){2|H<1>,4|C<3>}	120.8740	0.546	14	120.8740	0.298	14	120.7620	0.283	21	120.6430	0.496	23	120.4149	2.662	212	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6,6]	3:3:2:	3:3:3:	3:3:4:	C[6,6a]-3:N[6,6]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:B[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]B[6])(N[6a]C[6a])	C[6,6a](C[6,6a]N[6,6]N[6a])(C[6a]C[6a]H)(C[6]C[6]H)	N[6,6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6]N[6])(B[6]O[6]FF)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]B[6])(N[6a]C[6a]){1|N<2>,1|O<2>,2|F<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]N[6,6]N[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|B<4>,2|C<3>,2|H<1>}	N[6,6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6]N[6])(B[6]O[6]FF){1|H<1>,4|C<3>}	120.0680	0.000	1	120.0680	0.000	1	120.7620	0.283	21	120.6430	0.496	23	120.4149	2.662	212	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6,6]	3:3:2:	3:3:3:	3:3:4:	C[6,6a]-3:N[6,6]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(N[6a]C[6a,6a])	C[6,6a](C[6,6a]N[6,6]N[6a])(C[6a]C[6a,6a]H)(C[6]C[6]H)	N[6,6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6]N[6])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(N[6a]C[6a,6a]){1|C<4>,1|N<2>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]N[6,6]N[6a])(C[6a]C[6a,6a]H)(C[6]C[6]H){1|C<4>,4|C<3>}	N[6,6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6]N[6])(C[6]C[6]HH){1|C<4>,2|H<1>,4|C<3>}	118.4390	0.000	1	118.4390	0.000	1	119.3925	1.818	2	120.6430	0.496	23	120.4149	2.662	212	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6,6]	3:3:2:	3:3:3:	3:3:4:	C[6,6a]-3:N[6,6]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(N[6a]C[6a])	C[6,6a](C[6,6a]N[6,6]N[6a])(C[6a]C[6a]C)(C[6]C[6]H)	N[6,6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6]N[6])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(N[6a]C[6a]){1|N<2>,2|C<3>,3|C<4>,3|H<1>}	C[6,6a](C[6,6a]N[6,6]N[6a])(C[6a]C[6a]C)(C[6]C[6]H){1|C<4>,2|C<3>,2|H<1>}	N[6,6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6]N[6])(C[6]C[6]HH){1|C<4>,3|C<3>,3|H<1>}	120.3460	0.000	1	120.3460	0.000	1	119.3925	1.818	2	120.6430	0.496	23	120.4149	2.662	212	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6,6]	3:3:2:	3:3:4:	3:4:4:	C[6,6a]-3:N[6,6]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(N[6a]C[6a,6a])	C[6,6a](C[6,6a]N[6,6]N[6a])(C[6a]C[6a,6a]C)(C[6]C[6,6]HH)	N[6,6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(N[6a]C[6a,6a]){2|C<4>,3|C<3>,6|H<1>}	C[6,6a](C[6,6a]N[6,6]N[6a])(C[6a]C[6a,6a]C)(C[6]C[6,6]HH){2|C<3>,4|C<4>}	N[6,6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HH){2|C<3>,2|H<1>,3|C<4>}	119.9740	0.000	1	119.9740	0.000	1	119.9740	0.000	1	119.9740	0.000	1	120.4149	2.662	212	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:3:2:	3:3:2:	N[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6,6a]-3:N[6]-2:	C[6,6a](N[6,6]C[6,6,6a]N[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6,6a]C[6,6a]2)(N[6]C[6])	C[6,6a](N[6,6]C[6,6,6a]N[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|N<2>,2|H<1>,3|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6,6a]C[6,6a]2)(N[6]C[6]){1|H<1>,1|N<2>,1|O<2>,5|C<3>}	118.4780	0.000	1	118.4780	0.000	1	118.4780	0.000	1	118.4780	0.000	1	120.4149	2.662	212	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6,6]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6])	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]){3|C<3>,3|H<1>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]H){1|N<2>,3|C<3>,4|H<1>}	116.2900	0.000	1	116.2900	0.000	1	116.2900	0.000	1	118.3693	2.519	17	120.4149	2.662	212	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:3:2:	3:3:3:	N[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[5,6,6]-3:C[6]-3:	C[6,6a](N[6,6]C[5,6,6]C[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[5,6])	N[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6,6]C[5,6]2)(C[6]C[6]N)	C[6,6a](N[6,6]C[5,6,6]C[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[5,6]){1|N<3>,2|H<1>,3|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6,6]C[5,6]2)(C[6]C[6]N){1|C<2>,1|H<1>,1|N<2>,1|N<3>,4|C<3>}	117.3620	0.069	3	117.3620	0.005	3	117.3620	0.005	3	118.3693	2.519	17	120.4149	2.662	212	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:3:2:	3:3:3:	N[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:C[6,6,6a]-3:	C[6,6a](N[6,6]C[6,6,6a]C[6,6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	N[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6,6a]C[6,6a]2)	C[6,6a](N[6,6]C[6,6,6a]C[6,6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){2|H<1>,4|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6,6a]C[6,6a]2){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	117.8335	0.657	4	117.7334	0.204	8	117.7334	0.204	8	118.3693	2.519	17	120.4149	2.662	212	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:3:2:	3:3:3:	N[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:C[6,6,6a]-3:	C[6,6a](N[6,6]C[6,6,6a]C[6,6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	N[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6,6a]C[6,6a]2)	C[6,6a](N[6,6]C[6,6,6a]C[6,6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){2|H<1>,4|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6,6a]C[6,6a]2){2|H<1>,2|O<2>,6|C<3>}	117.6333	0.133	4	117.7334	0.204	8	117.7334	0.204	8	118.3693	2.519	17	120.4149	2.662	212	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:3:2:	3:3:3:	N[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:C[6,6,6a]-3:	C[6,6a](N[6,6]C[6,6,6a]C[6,6a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(S[6]C[6,6a])	N[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6,6a]C[6,6a]2)	C[6,6a](N[6,6]C[6,6,6a]C[6,6a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(S[6]C[6,6a]){1|C<4>,1|H<1>,4|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6,6a]C[6,6a]2){2|H<1>,2|S<2>,6|C<3>}	121.5475	0.699	2	120.3178	2.449	4	120.4070	1.877	5	118.3693	2.519	17	120.4149	2.662	212	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:3:2:	3:3:3:	N[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:C[6,6,6a]-3:	C[6,6a](N[6,6]C[6,6,6a]C[6,6a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(S[6]C[6,6a])	N[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6,6a]C[6,6a]2)	C[6,6a](N[6,6]C[6,6,6a]C[6,6a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(S[6]C[6,6a]){2|H<1>,4|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6,6a]C[6,6a]2){1|C<4>,1|S<2>,2|H<1>,6|C<3>}	119.7240	0.000	1	120.3178	2.449	4	120.4070	1.877	5	118.3693	2.519	17	120.4149	2.662	212	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:3:2:	3:3:3:	N[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:C[6,6,6a]-3:	C[6,6a](N[6,6]C[6,6,6a]C[6,6a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(S[6]C[6,6a])	N[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6,6a]C[6,6a]2)	C[6,6a](N[6,6]C[6,6,6a]C[6,6a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(S[6]C[6,6a]){2|H<1>,4|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6,6a]C[6,6a]2){2|H<1>,2|S<2>,6|C<3>}	118.4520	0.000	1	120.3178	2.449	4	120.4070	1.877	5	118.3693	2.519	17	120.4149	2.662	212	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:3:2:	3:3:3:	N[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:C[6,6,6a]-3:	C[6,6a](N[6,6]C[6,6,6a]C[6,6a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]O)(S[6]C[6,6a])	N[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6,6a]C[6,6a]2)	C[6,6a](N[6,6]C[6,6,6a]C[6,6a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){2|O<2>,5|C<3>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]O)(S[6]C[6,6a]){1|H<1>,1|O<2>,4|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6,6a]C[6,6a]2){2|H<1>,2|S<2>,6|C<3>}	120.7640	0.000	1	120.7640	0.000	1	120.4070	1.877	5	118.3693	2.519	17	120.4149	2.662	212	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:3:2:	3:3:4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6,6]-3:B[6]-4:	C[6,6a](C[6,6a]C[6a]N[6])(N[6,6]C[6,6]B[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6])	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(B[6]O[6]FF)	C[6,6a](C[6,6a]C[6a]N[6])(N[6,6]C[6,6]B[6])(C[6a]C[6a]H){1|O<2>,2|F<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]){1|B<4>,1|C<4>,2|C<3>,2|H<1>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(B[6]O[6]FF){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	118.3360	0.369	2	118.5493	0.110	6	118.5493	0.110	6	118.5493	0.110	6	120.4149	2.662	212	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:3:2:	3:3:4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6,6]-3:B[6]-4:	C[6,6a](C[6,6a]C[6a]N[6])(N[6,6]C[6,6]B[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6])	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(B[6]O[6]FF)	C[6,6a](C[6,6a]C[6a]N[6])(N[6,6]C[6,6]B[6])(C[6a]C[6a]H){1|O<2>,2|F<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]){1|B<4>,2|C<3>,3|H<1>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(B[6]O[6]FF){1|N<2>,3|C<3>,3|H<1>}	118.9080	0.082	2	118.5493	0.110	6	118.5493	0.110	6	118.5493	0.110	6	120.4149	2.662	212	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:3:2:	3:3:4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6,6]-3:B[6]-4:	C[6,6a](C[6,6a]C[6a]N[6])(N[6,6]C[6,6]B[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6])	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(B[6]O[6]FF)	C[6,6a](C[6,6a]C[6a]N[6])(N[6,6]C[6,6]B[6])(C[6a]C[6a]H){1|O<2>,2|F<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]){1|B<4>,2|H<1>,3|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(B[6]O[6]FF){1|N<2>,2|H<1>,4|C<3>}	118.4040	0.127	2	118.5493	0.110	6	118.5493	0.110	6	118.5493	0.110	6	120.4149	2.662	212	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:3:2:	3:4:3:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6a](C[6,6a]C[6a]S[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(S[6]C[6,6])	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(C[6]C[6,6a]O)	C[6,6a](C[6,6a]C[6a]S[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(S[6]C[6,6]){2|C<3>,2|H<1>,3|C<4>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(C[6]C[6,6a]O){1|H<1>,1|S<2>,2|C<4>,4|C<3>}	119.8270	0.117	2	119.8270	0.014	2	119.8270	0.014	2	119.8270	0.014	2	120.4149	2.662	212	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-3:C[6]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a,6a]F)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]N[6,6]C[6a])(C[6a]C[6a,6a]F)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a,6a]F){1|F<1>,1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]N[6,6]C[6a])(C[6a]C[6a,6a]F){1|F<1>,1|H<1>,1|N<3>,5|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6])(C[6]C[6]H){1|F<1>,2|H<1>,5|C<3>}	119.1730	0.000	1	119.1730	0.000	1	119.1730	0.000	1	118.8037	0.102	3	120.4149	2.662	212	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:C[6,6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]2)(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6,6]C[6]N[6])	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]2)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O){3|C<3>,3|H<1>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6,6]C[6]N[6]){1|C<2>,2|C<4>,4|C<3>,4|H<1>}	118.6190	0.000	2	118.6190	0.000	2	118.6190	0.000	2	118.8037	0.102	3	120.4149	2.662	212	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-3:B[6]-4:	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]B[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6])(B[6]N[6,6]FF)	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]B[6])(C[6a]C[6a]H){1|N<3>,2|F<1>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H){1|B<4>,3|H<1>,4|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6])(B[6]N[6,6]FF){2|H<1>,6|C<3>}	120.7310	0.000	1	120.7310	0.000	1	120.4865	0.075	4	119.9659	0.984	26	120.4149	2.662	212	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-3:B[6]-4:	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]B[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6])(B[6]O[6]FF)	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]B[6])(C[6a]C[6a]H){1|O<2>,2|F<1>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H){1|B<4>,3|H<1>,4|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6])(B[6]O[6]FF){2|H<1>,5|C<3>}	120.4050	0.270	3	120.4050	0.073	3	120.4865	0.075	4	119.9659	0.984	26	120.4149	2.662	212	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:B[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]B[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(B[6]O[6]FF)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]B[6])(C[6a]C[6a]H){1|O<2>,2|F<1>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|B<4>,2|C<3>,3|H<1>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(B[6]O[6]FF){2|H<1>,5|C<3>}	120.1610	0.037	2	120.1610	0.001	2	120.0199	0.066	17	119.9659	0.984	26	120.4149	2.662	212	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:B[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]B[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6])(B[6]O[6]FF)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]B[6])(C[6a]C[6a]H){1|O<2>,2|F<1>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|B<4>,2|C<3>,3|H<1>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6])(B[6]O[6]FF){2|H<1>,5|C<3>}	119.9180	0.000	1	119.9180	0.000	1	120.0199	0.066	17	119.9659	0.984	26	120.4149	2.662	212	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:B[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]B[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(B[6]N[6]FF)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]B[6])(C[6a]C[6a]H){1|N<3>,2|F<1>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|B<4>,2|C<3>,3|H<1>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(B[6]N[6]FF){1|C<2>,1|N<2>,2|H<1>,4|C<3>}	119.4280	0.000	1	119.4280	0.000	1	120.0199	0.066	17	119.9659	0.984	26	120.4149	2.662	212	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:B[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]B[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(B[6]O[6]FF)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]B[6])(C[6a]C[6a]H){1|O<2>,2|F<1>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|B<4>,2|C<3>,3|H<1>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(B[6]O[6]FF){3|H<1>,4|C<3>}	120.0467	0.084	6	120.0467	0.007	6	120.0199	0.066	17	119.9659	0.984	26	120.4149	2.662	212	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:B[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]B[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6])(B[6]N[5,6]FF)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]B[6])(C[6a]C[6a]H){1|N<2>,1|N<3>,2|C<3>,2|F<1>,3|H<1>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|B<4>,2|C<3>,3|H<1>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6])(B[6]N[5,6]FF){2|H<1>,5|C<3>}	120.3133	0.335	3	120.3133	0.112	3	120.0199	0.066	17	119.9659	0.984	26	120.4149	2.662	212	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:B[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]B[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6])(B[6]N[6,6]FF)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]B[6])(C[6a]C[6a]H){1|N<2>,1|N<3>,2|C<3>,2|F<1>,3|H<1>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|B<4>,2|C<3>,3|H<1>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6])(B[6]N[6,6]FF){2|H<1>,5|C<3>}	119.8185	0.104	2	119.8185	0.011	2	120.0199	0.066	17	119.9659	0.984	26	120.4149	2.662	212	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:B[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]B[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6])(B[6]N[6]FF)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]B[6])(C[6a]C[6a]H){1|N<2>,1|N<3>,2|C<3>,2|F<1>,3|H<1>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|B<4>,2|C<3>,3|H<1>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6])(B[6]N[6]FF){2|H<1>,5|C<3>}	119.9670	0.000	1	119.9670	0.000	1	120.0199	0.066	17	119.9659	0.984	26	120.4149	2.662	212	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:B[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]B[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6])(B[6]O[6]FF)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]B[6])(C[6a]C[6a]H){1|N<2>,1|O<2>,2|C<3>,2|F<1>,3|H<1>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|B<4>,2|C<3>,3|H<1>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6])(B[6]O[6]FF){2|H<1>,4|C<3>}	119.8470	0.000	1	119.8470	0.000	1	120.0199	0.066	17	119.9659	0.984	26	120.4149	2.662	212	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6,6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6,6]C[6]2H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){4|H<1>,5|C<3>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6,6]C[6]2H){1|N<3>,3|H<1>,6|C<3>}	117.9660	0.000	1	117.7740	0.074	2	117.7740	0.074	2	119.9659	0.984	26	120.4149	2.662	212	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6,6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6,6]C[6]2H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){4|H<1>,5|C<3>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6,6]C[6]2H){1|N<3>,3|H<1>,6|C<3>}	117.5820	0.000	1	117.7740	0.074	2	117.7740	0.074	2	119.9659	0.984	26	120.4149	2.662	212	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:N[6,6]-3:N[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:B[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]B[6])(N[6a]C[6a]H)	C[6,6a](C[6,6a]N[6,6]N[6a])(C[6a]C[6a]H)(C[6]C[6]H)	N[6,6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6]N[6])(B[6]O[6]FF)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]B[6])(N[6a]C[6a]H){1|N<2>,1|O<1>,1|O<2>,2|C<3>,2|F<1>,2|H<1>}	C[6,6a](C[6,6a]N[6,6]N[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|B<4>,2|C<3>,3|H<1>}	N[6,6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6]N[6])(B[6]O[6]FF){2|H<1>,4|C<3>}	121.8330	0.000	2	121.8330	0.000	2	121.8330	0.000	2	119.9659	0.984	26	120.4149	2.662	212	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:3:3:	3:3:4:	N[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:	C[6,6a](N[6,6]C[6,6a]C[6,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	N[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]O[6]H)	C[6,6a](N[6,6]C[6,6a]C[6,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	N[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]O[6]H){1|C<4>,3|H<1>,5|C<3>}	117.6140	0.000	1	117.6140	0.000	1	117.6140	0.000	1	119.9659	0.984	26	120.4149	2.662	212	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:3:3:	3:4:3:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:B[6]-4:C[6,6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]B[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]FF)(C[6,6]C[6]2)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]B[6])(C[6a]C[6a]H){1|N<3>,2|F<1>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|B<4>,2|C<3>,3|H<1>}	N[6,6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]FF)(C[6,6]C[6]2){3|H<1>,5|C<3>}	119.9230	0.000	1	119.9230	0.000	1	119.9327	0.006	3	118.7800	2.698	9	120.4149	2.662	212	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:3:3:	3:4:3:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:B[6]-4:C[6,6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]B[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]FF)(C[6,6]C[6]2)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]B[6])(C[6a]C[6a]H){1|N<3>,2|F<1>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|B<4>,2|C<3>,3|H<1>}	N[6,6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]FF)(C[6,6]C[6]2){3|H<1>,5|C<3>}	119.9375	0.105	2	119.9375	0.011	2	119.9327	0.006	3	118.7800	2.698	9	120.4149	2.662	212	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:3:3:	3:4:3:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6a]C[6])	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|O<2>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6a]C[6]){1|C<4>,2|H<1>,6|C<3>}	117.7240	0.000	1	117.8030	0.012	2	117.5334	0.528	5	118.7800	2.698	9	120.4149	2.662	212	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:3:3:	3:4:3:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6a]C[6])	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|O<2>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6a]C[6]){1|C<4>,3|H<1>,5|C<3>}	117.8820	0.000	1	117.8030	0.012	2	117.5334	0.528	5	118.7800	2.698	9	120.4149	2.662	212	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:3:3:	3:4:3:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[3]N[6])	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,2|C<3>,3|H<1>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[3]N[6]){2|C<4>,3|H<1>,5|C<3>}	118.0360	0.000	1	118.0360	0.000	1	117.5334	0.528	5	118.7800	2.698	9	120.4149	2.662	212	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:3:3:	3:4:3:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6a]C[6])	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6a]C[6]){1|H<1>,1|I<1>,1|N<3>,7|C<3>}	117.7740	0.000	1	117.7740	0.000	1	117.5334	0.528	5	118.7800	2.698	9	120.4149	2.662	212	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:3:3:	3:4:3:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]O)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|O<1>,3|H<1>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]O){1|C<4>,2|C<3>,2|H<1>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	116.2510	0.000	1	116.2510	0.000	1	117.5334	0.528	5	118.7800	2.698	9	120.4149	2.662	212	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:3:3:	3:4:3:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	N[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:B[3x6]-4:C[6,6]-3:	C[6,6a](C[6,6a]N[6,6a]C[6])(N[6,6]B[3x6]C[6,6])(C[6a]C[6a]H)	C[6,6a](N[6,6a]C[6,6a]B[3x6])(C[6,6a]N[6,6]C[6a])(C[6]C[6]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(B[3x6]C[6,6]2C[6])(C[6,6]C[6,6a]C[6])	C[6,6a](C[6,6a]N[6,6a]C[6])(N[6,6]B[3x6]C[6,6])(C[6a]C[6a]H){1|B<4>,2|H<1>,3|C<3>,3|C<4>}	C[6,6a](N[6,6a]C[6,6a]B[3x6])(C[6,6a]N[6,6]C[6a])(C[6]C[6]H){1|B<4>,2|H<1>,3|C<3>,3|C<4>}	N[6,6](C[6,6a]C[6,6a]C[6a])(B[3x6]C[6,6]2C[6])(C[6,6]C[6,6a]C[6]){1|N<3>,4|C<3>,5|C<4>,5|H<1>}	121.5550	0.000	1	121.5550	0.000	1	121.5550	0.000	1	118.7800	2.698	9	120.4149	2.662	212	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:3:3:	3:4:4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]O[6]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]O[6]H)(C[6]C[6]HH){1|C<4>,3|H<1>,4|C<3>}	119.9700	0.000	1	119.9700	0.000	1	119.9700	0.000	1	119.4050	0.827	5	120.4149	2.662	212	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:3:3:	3:4:4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5a,6]N[6]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,5|H<1>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,2|C<4>,3|H<1>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5a,6]N[6]H)(C[6]C[6]HH){1|N<3>,4|C<3>,4|H<1>}	120.7390	0.000	1	120.7390	0.000	1	119.2638	0.969	4	119.4050	0.827	5	120.4149	2.662	212	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:3:3:	3:4:4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,5|H<1>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]HH){1|N<3>,3|H<1>,5|C<3>}	118.8350	0.000	1	118.7720	0.003	3	119.2638	0.969	4	119.4050	0.827	5	120.4149	2.662	212	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:3:3:	3:4:4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,5|H<1>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,2|H<1>,3|C<4>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]HH){1|C<4>,3|H<1>,5|C<3>}	118.7430	0.000	1	118.7720	0.003	3	119.2638	0.969	4	119.4050	0.827	5	120.4149	2.662	212	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:3:3:	3:4:4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,5|H<1>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O){1|Cl<1>,1|C<3>,1|H<1>,3|C<4>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]HH){1|C<4>,3|H<1>,5|C<3>}	118.7380	0.000	1	118.7720	0.003	3	119.2638	0.969	4	119.4050	0.827	5	120.4149	2.662	212	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:3:4:	3:3:4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6,6]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,5|H<1>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6])(C[6]C[6]HH){2|C<3>,2|C<4>,6|H<1>}	118.4740	0.000	1	118.4740	0.000	1	118.4740	0.000	1	118.4740	0.000	1	120.4149	2.662	212	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:3:4:	3:3:5:	N[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6,6a]-3:Nb[6,6]-5:	C[6,6a](N[6,6]C[6,6a]Nb[6,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]CC)	N[6,6](C[6,6a]C[6,6a]C[6a])2(Nb[6,6]O[6]2CC)	C[6,6a](N[6,6]C[6,6a]Nb[6,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|H<1>,2|O<2>,3|C<3>,4|C<4>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]CC){1|Nb<5>,1|C<4>,1|H<1>,2|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])2(Nb[6,6]O[6]2CC){2|C<4>,2|H<1>,4|C<3>}	124.2250	0.057	2	124.2250	0.003	2	124.2250	0.003	2	124.2250	0.003	2	120.4149	2.662	212	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:3:4:	3:4:3:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HO)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O)(C[6]C[6]O){1|C<4>,1|N<2>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	118.5510	0.000	1	118.1735	0.285	2	117.9345	0.409	4	117.9345	0.409	4	120.4149	2.662	212	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:3:4:	3:4:3:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HO)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O)(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	117.7960	0.000	1	118.1735	0.285	2	117.9345	0.409	4	117.9345	0.409	4	120.4149	2.662	212	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:3:4:	3:4:3:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]O[6]H)(C[6]C[6a]C[6])	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|O<2>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<4>,2|C<3>,2|H<1>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]O[6]H)(C[6]C[6a]C[6]){1|C<4>,2|H<1>,6|C<3>}	117.0980	0.000	1	117.0980	0.000	1	117.9345	0.409	4	117.9345	0.409	4	120.4149	2.662	212	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:3:4:	3:4:3:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]C)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<4>,2|C<3>,2|H<1>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]C)(C[6]C[6]O){2|C<4>,3|C<3>,4|H<1>}	118.2930	0.000	1	118.2930	0.000	1	117.9345	0.409	4	117.9345	0.409	4	120.4149	2.662	212	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:3:4:	3:4:4:	C[6,6a]-3:C[6,6a]-3:N[6,6]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a](C[6,6a]C[6,6a]C[6])2(N[6,6]C[6,6]C[6])	C[6,6a](C[6,6a]C[6,6a]N[6,6])2(C[6]N[6,6]HH)	N[6,6](C[6,6a]C[6,6a]2)(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]C[6,6a]C[6])2(N[6,6]C[6,6]C[6]){2|C<3>,4|N<3>,8|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6,6])2(C[6]N[6,6]HH){2|C<3>,6|C<4>}	N[6,6](C[6,6a]C[6,6a]2)(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){2|C<4>,4|C<3>}	121.2300	0.317	12	121.2300	0.100	12	121.2300	0.100	12	121.3965	0.503	22	120.4149	2.662	212	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:3:4:	3:4:4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a,6a]H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a,6a]H)(C[6]N[6,6]HH)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a,6a]H){1|N<3>,3|C<3>,7|H<1>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a,6a]H)(C[6]N[6,6]HH){1|H<1>,2|C<4>,3|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|H<1>,4|C<3>}	121.3970	0.000	1	121.3970	0.000	1	120.8594	0.493	5	121.3965	0.503	22	120.4149	2.662	212	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:3:4:	3:4:4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,7|H<1>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|Br<1>,2|C<3>,2|C<4>,2|H<1>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH){1|C<4>,4|H<1>,5|C<3>}	121.7710	0.000	1	121.1370	0.804	2	120.8594	0.493	5	121.3965	0.503	22	120.4149	2.662	212	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:3:4:	3:4:4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,7|H<1>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){2|C<3>,2|C<4>,3|H<1>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH){1|C<4>,4|H<1>,5|C<3>}	120.5030	0.000	1	121.1370	0.804	2	120.8594	0.493	5	121.3965	0.503	22	120.4149	2.662	212	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:3:4:	3:4:4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,7|H<1>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<2>,1|H<1>,1|N<3>,2|C<3>,2|C<4>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH){1|C<2>,2|C<4>,3|C<3>,5|H<1>}	120.5640	0.000	1	120.5640	0.000	1	120.8594	0.493	5	121.3965	0.503	22	120.4149	2.662	212	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:3:4:	3:4:4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]HH)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,7|H<1>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<3>,2|H<1>,3|C<4>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]HH){2|C<4>,3|H<1>,4|C<3>}	120.0620	0.000	1	120.0620	0.000	1	120.8594	0.493	5	121.3965	0.503	22	120.4149	2.662	212	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:3:4:	3:4:4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a](C[6,6a]C[6a]S[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(S[6]N[6]OO)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]S[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,2|O<1>,5|H<1>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(S[6]N[6]OO){1|C<3>,2|C<4>,3|H<1>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]HH){1|S<4>,4|C<3>,4|H<1>}	123.0110	0.000	1	123.0110	0.000	1	123.0110	0.000	1	121.3965	0.503	22	120.4149	2.662	212	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:3:4:	3:4:4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a](C[6,6a]C[6a,6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6,6]C[6a])(C[6]C[3x6]HH)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]HH)(C[6]N[6]HH)	C[6,6a](C[6,6a]C[6a,6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,7|H<1>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6,6]C[6a])(C[6]C[3x6]HH){2|C<4>,2|H<1>,5|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]HH)(C[6]N[6]HH){1|C<4>,1|H<1>,4|C<3>}	122.2380	0.000	1	122.2380	0.000	1	122.3790	0.102	3	121.3965	0.503	22	120.4149	2.662	212	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:3:4:	3:4:4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a](C[6,6a]C[6a,6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]C[6a,6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|N<3>,3|C<3>,7|H<1>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH){2|C<4>,2|H<1>,4|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|H<1>,4|C<3>}	122.4495	0.416	2	122.4495	0.173	2	122.3790	0.102	3	121.3965	0.503	22	120.4149	2.662	212	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:3:4:	3:4:4:	C[6a,6a]-3:C[6,6a]-3:N[6,6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])	C[6,6a](C[6,6a]C[6a,6a]N[6,6])(C[6a]C[6,6a]H)(C[6]N[6,6]HH)	N[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	C[6,6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6]){1|N<3>,4|C<3>,8|H<1>}	C[6,6a](C[6,6a]C[6a,6a]N[6,6])(C[6a]C[6,6a]H)(C[6]N[6,6]HH){2|C<4>,4|C<3>}	N[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,5|C<3>}	121.5190	0.000	1	121.5190	0.000	1	121.5190	0.000	1	121.3965	0.503	22	120.4149	2.662	212	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:3:4:	3:5:3:	N[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:Nb[6,6]-5:C[6]-3:	C[6,6a](N[6,6]Nb[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]C)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH)	N[6,6](C[6,6a]C[6,6a]C[6a])(Nb[6,6]C[6]N[6]NO)(C[6]C[6]C)	C[6,6a](N[6,6]Nb[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]C){1|N<2>,1|N<3>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH){1|Nb<5>,1|C<4>,2|C<3>,3|H<1>}	N[6,6](C[6,6a]C[6,6a]C[6a])(Nb[6,6]C[6]N[6]NO)(C[6]C[6]C){2|C<4>,3|H<1>,4|C<3>}	117.4445	0.750	2	117.4445	0.563	2	117.4445	0.563	2	117.4445	0.563	2	120.4149	2.662	212	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:4:3:	3:3:3:	N[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5a,6,6]-3:C[6,6a]-3:C[6]-3:	C[6,6a](N[6,6]C[5a,6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]C[5a,6]HP)(C[6a]C[6a]H)	N[6,6](C[5a,6,6]C[5a,6]N[5a,6])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](N[6,6]C[5a,6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,1|P<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]C[5a,6]HP)(C[6a]C[6a]H){2|H<1>,4|C<3>}	N[6,6](C[5a,6,6]C[5a,6]N[5a,6])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|N<2>,2|C<4>,3|C<3>,3|H<1>}	120.4050	0.445	2	120.4050	0.198	2	120.4050	0.198	2	120.4050	0.198	2	120.4149	2.662	212	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:4:3:	3:3:4:	N[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:	C[6,6a](N[6,6]C[6,6a]C[6,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]C[6a]O[6]H)(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]O[6]H)	C[6,6a](N[6,6]C[6,6a]C[6,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,4|H<1>,5|C<3>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]C[6a]O[6]H)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]O[6]H){1|C<4>,3|H<1>,5|C<3>}	118.1890	0.000	1	118.1890	0.000	1	118.1890	0.000	1	118.1890	0.000	1	120.4149	2.662	212	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:4:3:	3:4:3:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[3,6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6a](C[6,6a]C[3,6]C[6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[3,6]C[3,6]C[3]H)(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3,6]C[6]H)(C[6]C[6a]C[6])	C[6,6a](C[6,6a]C[3,6]C[6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){3|C<3>,3|C<4>,4|H<1>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[3,6]C[3,6]C[3]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3,6]C[6]H)(C[6]C[6a]C[6]){1|N<3>,2|C<4>,4|C<3>,5|H<1>}	118.6700	0.000	1	118.6700	0.000	1	118.6700	0.000	1	118.6700	0.000	1	120.4149	2.662	212	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:4:3:	3:4:4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]Br)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]Br){1|N<3>,2|C<3>,8|H<1>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H){1|Br<1>,2|C<3>,3|C<4>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|Br<1>,1|C<4>,4|C<3>}	121.6995	0.370	6	121.6995	0.137	6	121.7162	0.197	72	121.7162	0.197	72	120.4149	2.662	212	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:4:3:	3:4:4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]F)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]F)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]F){1|N<3>,2|C<3>,2|F<1>,6|H<1>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]F){2|C<3>,2|C<4>,2|F<1>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|F<1>,4|C<3>}	121.7210	0.000	1	121.7210	0.000	1	121.7162	0.197	72	121.7162	0.197	72	120.4149	2.662	212	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:4:3:	3:4:4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,7|H<1>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH){1|C<4>,1|O<2>,4|C<3>,5|H<1>}	120.7700	0.000	1	120.7700	0.000	1	121.7162	0.197	72	121.7162	0.197	72	120.4149	2.662	212	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:4:3:	3:4:4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,7|H<1>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH){1|C<4>,1|O<2>,4|C<3>,5|H<1>}	119.8470	0.000	1	119.8470	0.000	1	121.7162	0.197	72	121.7162	0.197	72	120.4149	2.662	212	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:4:3:	3:4:4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]CH)(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]CH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,6|H<1>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]CH)(C[6a]C[6a]H){1|H<1>,2|C<3>,3|C<4>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]CH){1|C<4>,1|H<1>,4|C<3>}	122.5150	0.000	1	122.5150	0.000	1	121.7162	0.197	72	121.7162	0.197	72	120.4149	2.662	212	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:4:3:	3:4:4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]Br)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|Br<1>,1|N<3>,2|C<3>,7|H<1>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]Br){1|H<1>,2|C<3>,3|C<4>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|H<1>,4|C<3>}	121.4490	0.000	1	121.4490	0.000	1	121.7162	0.197	72	121.7162	0.197	72	120.4149	2.662	212	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:4:3:	3:4:4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|Br<1>,1|N<3>,2|C<3>,7|H<1>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H){1|H<1>,2|C<3>,3|C<4>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|H<1>,4|C<3>}	121.8690	0.000	1	121.7292	0.151	43	121.7162	0.197	72	121.7162	0.197	72	120.4149	2.662	212	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:4:3:	3:4:4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,7|H<1>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|H<1>,4|C<3>}	122.2140	0.000	1	121.7292	0.151	43	121.7162	0.197	72	121.7162	0.197	72	120.4149	2.662	212	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:4:3:	3:4:4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,8|H<1>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H){1|B<3>,1|H<1>,2|C<3>,2|C<4>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|H<1>,4|C<3>}	121.5305	0.110	2	121.7292	0.151	43	121.7162	0.197	72	121.7162	0.197	72	120.4149	2.662	212	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:4:3:	3:4:4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,8|H<1>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H){1|Br<1>,1|H<1>,2|C<3>,2|C<4>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|H<1>,4|C<3>}	121.4230	0.000	1	121.7292	0.151	43	121.7162	0.197	72	121.7162	0.197	72	120.4149	2.662	212	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:4:3:	3:4:4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,8|H<1>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,2|C<3>,2|C<4>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|H<1>,4|C<3>}	121.5975	0.213	6	121.7292	0.151	43	121.7162	0.197	72	121.7162	0.197	72	120.4149	2.662	212	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:4:3:	3:4:4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,8|H<1>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H){1|H<1>,1|I<1>,2|C<3>,2|C<4>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|H<1>,4|C<3>}	121.6623	1.049	3	121.7292	0.151	43	121.7162	0.197	72	121.7162	0.197	72	120.4149	2.662	212	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:4:3:	3:4:4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,8|H<1>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|H<1>,4|C<3>}	121.8374	0.332	10	121.7292	0.151	43	121.7162	0.197	72	121.7162	0.197	72	120.4149	2.662	212	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:4:3:	3:4:4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,8|H<1>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H){1|H<1>,2|C<3>,3|C<4>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|H<1>,4|C<3>}	121.8695	0.360	11	121.7292	0.151	43	121.7162	0.197	72	121.7162	0.197	72	120.4149	2.662	212	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:4:3:	3:4:4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,8|H<1>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H){1|H<1>,2|C<4>,3|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|H<1>,4|C<3>}	121.5463	0.277	6	121.7292	0.151	43	121.7162	0.197	72	121.7162	0.197	72	120.4149	2.662	212	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:4:3:	3:4:4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,8|H<1>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|H<1>,4|C<3>}	121.3780	0.000	1	121.7292	0.151	43	121.7162	0.197	72	121.7162	0.197	72	120.4149	2.662	212	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:4:3:	3:4:4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|N<4>,2|C<3>,8|H<1>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H){1|Br<1>,2|C<3>,2|C<4>,2|H<1>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,2|H<1>,4|C<3>}	121.6200	0.000	1	121.7292	0.151	43	121.7162	0.197	72	121.7162	0.197	72	120.4149	2.662	212	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:4:3:	3:4:4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]N[5])	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]N[5]){1|N<3>,4|C<3>,8|H<1>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|N<3>,4|C<3>}	122.1282	0.116	8	122.1282	0.013	8	121.7162	0.197	72	121.7162	0.197	72	120.4149	2.662	212	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:4:3:	3:4:4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]N[5a])	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]N[5a]){1|N<3>,4|C<3>,8|H<1>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|N<3>,4|C<3>}	121.6275	0.036	4	121.6275	0.001	4	121.7162	0.197	72	121.7162	0.197	72	120.4149	2.662	212	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:4:3:	3:4:4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]S)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]S){1|N<3>,2|C<3>,8|H<1>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H){1|S<3>,2|C<3>,3|C<4>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|S<3>,4|C<3>}	121.5295	0.203	4	121.5295	0.041	4	121.7162	0.197	72	121.7162	0.197	72	120.4149	2.662	212	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:4:3:	3:4:4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]Se)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]Se){1|N<3>,2|C<3>,8|H<1>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H){1|Se<2>,2|C<3>,3|C<4>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|Se<2>,1|C<4>,4|C<3>}	121.5305	0.196	2	121.5305	0.038	2	121.7162	0.197	72	121.7162	0.197	72	120.4149	2.662	212	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:4:3:	4:3:3:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6]-4:C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]C[6]N[5]H)(C[6a]C[6a]H)	N[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[5,6,6]O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,3|C<4>,4|H<1>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]C[6]N[5]H)(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	N[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[5,6,6]O){2|C<3>,2|O<2>,3|C<4>,4|H<1>}	118.8710	0.000	1	118.8710	0.000	1	118.8710	0.000	1	117.4725	1.564	6	120.4149	2.662	212	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:4:3:	4:3:3:	N[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[3,6,6]-4:C[6,6a]-3:C[6]-3:	C[6,6a](N[6,6]C[3,6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]C[3,6]HO)(C[6a]C[6a]H)	N[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](N[6,6]C[3,6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]C[3,6]HO)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	N[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	118.0167	0.337	3	118.0167	0.114	3	118.0167	0.114	3	117.4725	1.564	6	120.4149	2.662	212	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:4:3:	4:3:3:	N[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5,6,6]-4:C[6,6a]-3:C[6]-3:	C[6,6a](N[6,6]C[5,6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]C[5,6]HO)(C[6a]C[6a]H)	N[6,6](C[5,6,6]C[5,6]C[6]N[5])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](N[6,6]C[5,6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]C[5,6]HO)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	N[6,6](C[5,6,6]C[5,6]C[6]N[5])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|C<3>,4|H<1>}	116.2370	0.000	1	116.2370	0.000	1	115.9570	0.157	2	117.4725	1.564	6	120.4149	2.662	212	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:4:3:	4:3:3:	N[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5,6,6]-4:C[6,6a]-3:C[6]-3:	C[6,6a](N[6,6]C[5,6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]C[5,6]HO)(C[6a]C[6a]H)	N[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)	C[6,6a](N[6,6]C[5,6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]C[5,6]HO)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	N[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O){1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	115.6770	0.000	1	115.6770	0.000	1	115.9570	0.157	2	117.4725	1.564	6	120.4149	2.662	212	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:4:3:	4:3:4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[3x6]-4:C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6,6]C[6a])(N[6,6]C[3x6]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6,6]N[3x6]N[6]H)(C[6a]C[6a]H)	N[6,6](C[3x6]C[6,6a]N[3x6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HN)	C[6,6a](C[6,6a]C[6,6]C[6a])(N[6,6]C[3x6]C[6])(C[6a]C[6a]H){3|C<3>,3|N<3>,5|H<1>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6,6]N[3x6]N[6]H)(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	N[6,6](C[3x6]C[6,6a]N[3x6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HN){1|C<4>,1|H<1>,6|C<3>}	121.6930	0.000	1	121.6930	0.000	1	121.6930	0.000	1	120.6800	2.052	2	120.4149	2.662	212	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:4:3:	4:3:4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6]-4:C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	N[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,7|H<1>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	N[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|C<4>,3|H<1>,6|C<3>}	119.6670	0.000	1	119.6670	0.000	1	119.6670	0.000	1	120.6800	2.052	2	120.4149	2.662	212	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6,6]	3:3:3:	4:3:3:	3:3:3:	N[6,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6,6a]-3:	C[6,6a](N[6,6]C[6,6,6a]C[6,6a])(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6,6a]C[6,6a]2)	C[6,6a](N[6,6]C[6,6,6a]C[6,6a])(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H){2|H<1>,8|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6,6a]C[6,6a]2){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	119.2517	0.851	3	119.5520	0.843	4	119.5520	0.843	4	119.5520	0.843	4	120.4149	2.662	212	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6,6]	3:3:3:	4:3:3:	3:3:3:	N[6,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6,6a]-3:	C[6,6a](N[6,6]C[6,6,6a]C[6,6a])(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6,6a]C[6,6a]2)	C[6,6a](N[6,6]C[6,6,6a]C[6,6a])(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H){2|H<1>,8|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6,6a]C[6,6a]2){1|C<4>,1|S<2>,2|H<1>,6|C<3>}	120.4530	0.000	1	119.5520	0.843	4	119.5520	0.843	4	119.5520	0.843	4	120.4149	2.662	212	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:2:3:	3:2:3:	3:3:1:	C[6,6a]-3:N[6a]-2:N[6]-3:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6a])(N[6]C[6]H)	C[6,6a](C[6,6a]N[6a]N[6])(N[6a]C[6a])(C[6]N[6]N)	N[6](C[6,6a]C[6,6a]N[6a])(C[6]N[6]N)(H)	C[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6a])(N[6]C[6]H){1|C<3>,1|N<2>,3|N<3>}	C[6,6a](C[6,6a]N[6a]N[6])(N[6a]C[6a])(C[6]N[6]N){1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]N[6a])(C[6]N[6]N)(H){1|N<2>,2|C<3>}	118.6876	0.308	8	118.6876	0.095	8	119.0177	0.573	10	118.6778	0.684	15	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:2:3:	3:2:3:	3:3:1:	C[6,6a]-3:N[6a]-2:N[6]-3:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6a])(N[6]C[6]H)	C[6,6a](C[6,6a]N[6a]N[6])(N[6a]C[6a])(C[6]N[6]S)	N[6](C[6,6a]C[6,6a]N[6a])(C[6]N[6]O)(H)	C[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6a])(N[6]C[6]H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|S<1>}	C[6,6a](C[6,6a]N[6a]N[6])(N[6a]C[6a])(C[6]N[6]S){2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]N[6a])(C[6]N[6]O)(H){1|H<1>,1|N<2>,2|C<3>}	120.5980	0.000	1	120.5980	0.000	1	119.0177	0.573	10	118.6778	0.684	15	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:2:3:	3:2:3:	3:3:1:	C[6,6a]-3:N[6a]-2:N[6]-3:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6a])(N[6]C[6]H)	C[6,6a](C[6,6a]N[6a]N[6])(N[6a]C[6a])(C[6]N[6]S)	N[6](C[6,6a]C[6,6a]N[6a])(C[6]N[6]S)(H)	C[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6a])(N[6]C[6]H){1|C<3>,1|H<1>,1|N<3>,2|S<1>}	C[6,6a](C[6,6a]N[6a]N[6])(N[6a]C[6a])(C[6]N[6]S){2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]N[6a])(C[6]N[6]S)(H){1|H<1>,1|N<2>,2|C<3>}	120.0780	0.000	1	120.0780	0.000	1	119.0177	0.573	10	118.6778	0.684	15	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:2:3:	3:2:3:	3:3:1:	C[6,6a]-3:N[6a]-2:N[6]-3:	C[6,6a]-3:N[6a]-2:N[6]-3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]N[6a]N[6])(N[6a]C[6a,6a])(N[6]C[6,6a]H)	C[6,6a](C[6,6a]N[6a]N[6])(N[6a]C[6a,6a])(N[6]C[6,6a]H)	N[6](C[6,6a]C[6,6a]N[6a])2(H)	C[6,6a](C[6,6a]N[6a]N[6])(N[6a]C[6a,6a])(N[6]C[6,6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6,6a](C[6,6a]N[6a]N[6])(N[6a]C[6a,6a])(N[6]C[6,6a]H){1|H<1>,1|N<2>,3|C<3>}	N[6](C[6,6a]C[6,6a]N[6a])2(H){1|N<3>,2|C<3>,2|N<2>}	117.9530	0.553	4	117.9980	0.239	5	117.9980	0.239	5	118.6778	0.684	15	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:2:3:	3:2:3:	3:3:1:	C[6,6a]-3:N[6a]-2:N[6]-3:	C[6,6a]-3:N[6a]-2:N[6]-3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]N[6a]N[6])(N[6a]C[6a,6a])(N[6]C[6,6a]H)	C[6,6a](C[6,6a]N[6a]N[6])(N[6a]C[6a,6a])(N[6]C[6,6a]H)	N[6](C[6,6a]C[6,6a]N[6a])2(H)	C[6,6a](C[6,6a]N[6a]N[6])(N[6a]C[6a,6a])(N[6]C[6,6a]H){1|H<1>,2|C<3>,2|N<2>}	C[6,6a](C[6,6a]N[6a]N[6])(N[6a]C[6a,6a])(N[6]C[6,6a]H){1|H<1>,2|C<3>,2|N<2>}	N[6](C[6,6a]C[6,6a]N[6a])2(H){1|N<3>,2|C<3>,2|N<2>}	118.1780	0.000	1	117.9980	0.239	5	117.9980	0.239	5	118.6778	0.684	15	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:2:3:	3:2:3:	3:3:4:	C[6,6a]-3:N[6a]-2:N[6]-3:	C[6,6a]-3:N[6a]-2:N[6]-3:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]N[6a]N[6])(N[6a]C[6a,6a])(N[6]C[6,6a]C)	C[6,6a](C[6,6a]N[6a]N[6])(N[6a]C[6a,6a])(N[6]C[6,6a]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(CCHH)	C[6,6a](C[6,6a]N[6a]N[6])(N[6a]C[6a,6a])(N[6]C[6,6a]C){1|C<4>,1|N<2>,3|C<3>}	C[6,6a](C[6,6a]N[6a]N[6])(N[6a]C[6a,6a])(N[6]C[6,6a]C){1|C<4>,1|N<2>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(CCHH){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	119.3540	0.256	2	119.3540	0.066	2	119.3540	0.066	2	119.3540	0.066	2	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:2:3:	3:3:2:	3:3:4:	C[6,6a]-3:N[6a]-2:N[6]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]S[6])(N[6a]C[6a,6a])(N[6]C[6,6a]C)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a,6a]H)(S[6]C[6,6a])	N[6](C[6,6a]C[6,6a]N[6a])2(CCHH)	C[6,6a](C[6,6a]C[6a]S[6])(N[6a]C[6a,6a])(N[6]C[6,6a]C){1|H<1>,1|N<2>,3|C<3>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a,6a]H)(S[6]C[6,6a]){1|C<4>,4|C<3>}	N[6](C[6,6a]C[6,6a]N[6a])2(CCHH){1|S<2>,4|C<3>}	122.1675	0.407	2	122.1675	0.165	2	122.1675	0.165	2	122.1675	0.165	2	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:2:3:	3:3:3:	3:3:1:	C[6,6a]-3:N[6a]-2:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]H)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]C)(C[6]C[6]H)	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]H){1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]C)(C[6]C[6]H){2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]C)(H){1|H<1>,3|C<3>}	120.6530	0.000	1	120.6530	0.000	1	118.7397	1.600	16	118.7397	1.600	16	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:2:3:	3:3:3:	3:3:1:	C[6,6a]-3:N[6a]-2:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]H)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]H){1|Cl<1>,1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]C)(H){1|H<1>,3|C<3>}	120.0200	0.000	1	119.5190	0.502	2	118.7397	1.600	16	118.7397	1.600	16	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:2:3:	3:3:3:	3:3:1:	C[6,6a]-3:N[6a]-2:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]H)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]C)(H){1|H<1>,3|C<3>}	119.0180	0.000	1	119.5190	0.502	2	118.7397	1.600	16	118.7397	1.600	16	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:2:3:	3:3:3:	3:3:1:	C[6,6a]-3:N[6a]-2:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]H)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[5a]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]H){2|H<1>,4|C<3>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[5a]C[6])(H){1|H<1>,1|N<3>,4|C<3>}	119.5600	0.000	1	119.5600	0.000	1	118.7397	1.600	16	118.7397	1.600	16	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:2:3:	3:3:3:	3:3:1:	C[6,6a]-3:N[6a]-2:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]H)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]C)(H){1|H<1>,3|C<3>}	118.7240	0.000	1	118.8495	0.032	2	118.7397	1.600	16	118.7397	1.600	16	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:2:3:	3:3:3:	3:3:1:	C[6,6a]-3:N[6a]-2:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]H)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]H){2|H<1>,4|C<3>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]C)(H){1|H<1>,3|C<3>}	118.9750	0.000	1	118.8495	0.032	2	118.7397	1.600	16	118.7397	1.600	16	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:2:3:	3:3:3:	3:3:1:	C[6,6a]-3:N[6a]-2:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]H)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)(H){1|H<1>,3|C<3>}	117.8960	0.499	9	117.8960	0.249	9	118.7397	1.600	16	118.7397	1.600	16	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:2:3:	3:3:3:	3:3:1:	C[6,6a]-3:N[6a]-2:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]H)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]S[6]C)	N[6](C[6,6a]C[6,6a]N[6a])(C[6]S[6]N)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]H){1|N<2>,1|S<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]S[6]C){1|Cl<1>,1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]N[6a])(C[6]S[6]N)(H){3|C<3>}	121.8210	0.000	1	121.8210	0.000	1	118.7397	1.600	16	118.7397	1.600	16	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:2:3:	3:3:3:	3:3:4:	C[6,6a]-3:N[6a]-2:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]C)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O)	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)(CCHH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]C){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)(CCHH){4|C<3>}	119.1722	0.191	4	119.1722	0.037	4	119.1760	0.099	8	119.1760	0.099	8	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:2:3:	3:3:3:	3:3:4:	C[6,6a]-3:N[6a]-2:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]C)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]S)	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)(CCHH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]C){1|C<4>,1|S<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]S){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)(CCHH){4|C<3>}	119.1635	0.392	2	119.3290	0.159	3	119.1760	0.099	8	119.1760	0.099	8	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:2:3:	3:3:3:	3:3:4:	C[6,6a]-3:N[6a]-2:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]C)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]S)	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)(CCHH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]C){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]S){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)(CCHH){4|C<3>}	119.6600	0.000	1	119.3290	0.159	3	119.1760	0.099	8	119.1760	0.099	8	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:2:3:	3:3:3:	3:3:4:	C[6,6a]-3:N[6a]-2:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]C)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]N[6a]H)(C[6]C[6]O)	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)(CCHH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]C){1|C<3>,1|N<2>,1|N<3>,1|O<2>,2|H<1>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]N[6a]H)(C[6]C[6]O){1|C<4>,3|C<3>}	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)(CCHH){4|C<3>}	118.7320	0.000	1	118.7320	0.000	1	119.1760	0.099	8	119.1760	0.099	8	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:2:3:	3:3:3:	3:4:1:	C[6,6a]-3:N[6a]-2:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]H)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]N[6a]H)(C[6]N[6]O)	N[6](C[6,6a]C[6,6a]N[6a])(C[6]N[6]CC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]H){1|H<1>,1|N<2>,1|O<1>,2|C<4>,2|N<3>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]N[6a]H)(C[6]N[6]O){1|C<3>,1|C<4>,2|H<1>}	N[6](C[6,6a]C[6,6a]N[6a])(C[6]N[6]CC)(H){1|H<1>,3|C<3>}	118.8310	0.000	2	118.8310	0.000	2	118.8310	0.000	2	120.8560	12.302	3	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:2:3:	3:3:3:	3:4:1:	C[6,6a]-3:O[6a]-2:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(O[6a]C[6a,6a])(N[6]C[6]H)	C[6,6a](C[6,6a]O[6a]N[6])(C[6a]C[6a,6a]O)(C[6]C[6a]C[6])	N[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6a]2C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(O[6a]C[6a,6a])(N[6]C[6]H){1|O<1>,6|C<3>}	C[6,6a](C[6,6a]O[6a]N[6])(C[6a]C[6a,6a]O)(C[6]C[6a]C[6]){1|C<4>,2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6a]2C[6])(H){1|H<1>,7|C<3>}	124.9060	0.000	1	124.9060	0.000	1	124.9060	0.000	1	120.8560	12.302	3	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:2:3:	3:3:3:	3:4:3:	C[6,6a]-3:N[6a]-2:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]C)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]N[6a]O)(C[6]C[6]Cl)	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]C[6]H)(CHO)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]C){1|Cl<1>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]N[6a]O)(C[6]C[6]Cl){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]C[6]H)(CHO){1|H<1>,5|C<3>}	121.1050	0.000	1	121.1050	0.000	1	121.1050	0.000	1	121.1050	0.000	1	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:2:3:	3:3:3:	3:4:4:	C[6,6a]-3:N[6a]-2:N[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a](C[6,6a]C[6a]N[6])(N[6a]N[6a])(N[6]C[6]C)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]N[6])(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(CH3)	C[6,6a](C[6,6a]C[6a]N[6])(N[6a]N[6a])(N[6]C[6]C){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]N[6])(N[6]C[6]C){1|N<3>,1|O<1>,2|H<1>,4|C<4>}	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(CH3){1|C<3>,2|H<1>,2|N<3>}	119.3730	0.000	1	119.3730	0.000	1	119.3730	0.000	1	119.0305	0.235	2	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:2:3:	3:3:3:	3:4:4:	C[6,6a]-3:N[6a]-2:N[6]-3:	C[6a,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(N[6a]C[6a])(N[6]C[6]S)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6,6a]N[6a]N[6])	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6a]HH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(N[6a]C[6a])(N[6]C[6]S){1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6,6a]N[6a]N[6]){1|C<4>,1|S<4>,2|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6a]HH)(SC[6a]OO){4|C<3>}	118.6880	0.000	1	118.6880	0.000	1	118.6880	0.000	1	119.0305	0.235	2	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:2:3:	3:3:4:	3:4:4:	C[6,6a]-3:N[6a]-2:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(N[6]C[6]C)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a,6a]H)(C[6]C[6]CH)	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]CH)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(N[6]C[6]C){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a,6a]H)(C[6]C[6]CH){2|C<3>,2|C<4>,2|H<1>}	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]CH)(CH3){1|C<4>,2|C<3>,2|H<1>}	121.5890	0.000	1	121.5890	0.000	1	120.4350	2.663	2	120.3370	1.361	3	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:2:3:	3:3:4:	3:4:4:	C[6,6a]-3:N[6a]-2:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]C)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]N[6a]N)(C[6]N[6]HH)	N[6](C[6,6a]C[6,6a]N[6a])(C[6]N[6]HH)(CC[6a]HH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]C){1|N<2>,2|N<3>,5|H<1>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]N[6a]N)(C[6]N[6]HH){1|C<3>,3|C<4>}	N[6](C[6,6a]C[6,6a]N[6a])(C[6]N[6]HH)(CC[6a]HH){2|C<3>,2|C<4>}	119.2810	0.000	1	119.2810	0.000	1	120.4350	2.663	2	120.3370	1.361	3	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:2:3:	3:3:4:	3:4:4:	C[6,6a]-3:N[6a]-2:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]S)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]C[6]H)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]S){1|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]C[6]H)(SC[6a]OO){1|C<4>,2|H<1>,4|C<3>}	120.1410	0.000	1	120.1410	0.000	1	120.1410	0.000	1	120.3370	1.361	3	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:2:3:	3:4:3:	3:3:3:	C[6,6a]-3:O[6a]-2:N[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-3:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(O[6a]C[6a,6a])(N[6]C[6]C)	C[6,6a](C[6,6a]O[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a,6a]O)	N[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6]O)(COO)	C[6,6a](C[6,6a]C[6a]C[6])(O[6a]C[6a,6a])(N[6]C[6]C){1|C<4>,1|H<1>,2|O<1>,3|C<3>}	C[6,6a](C[6,6a]O[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a,6a]O){2|H<1>,6|C<3>}	N[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6]O)(COO){1|C<4>,2|C<3>,2|H<1>}	124.0200	0.000	1	124.0200	0.000	1	124.0200	0.000	1	124.0200	0.000	1	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:2:3:	3:4:3:	3:4:1:	C[6,6a]-3:N[6a]-2:N[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]H)	C[6,6a](C[6,6a]N[6a]N[6])(C[6]C[6,6]HH)(C[6a]N[6a]O)	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]H){1|C<4>,1|N<3>,1|O<1>,1|S<2>,4|H<1>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6]C[6,6]HH)(C[6a]N[6a]O){1|C<4>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6]HH)(H){1|C<4>,4|C<3>}	121.4520	0.000	1	121.4520	0.000	1	120.9335	0.538	2	120.9335	0.538	2	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:2:3:	3:4:3:	3:4:1:	C[6,6a]-3:N[6a]-2:N[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]H)	C[6,6a](C[6,6a]N[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]N[6a]O)	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>,2|N<3>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]N[6a]O){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	120.4150	0.000	1	120.4150	0.000	1	120.9335	0.538	2	120.9335	0.538	2	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:2:3:	3:4:3:	3:4:4:	C[6,6a]-3:N[6a]-2:N[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]C)	C[6,6a](C[6,6a]N[6a]N[6])(C[6]C[6,6]HH)(C[6a]N[6a]O)	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6]HH)(CHHO)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]C){1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|H<1>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6]C[6,6]HH)(C[6a]N[6a]O){1|H<1>,2|C<4>,3|C<3>}	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6]HH)(CHHO){1|C<4>,4|C<3>}	121.2380	0.000	1	121.2380	0.000	1	121.2380	0.000	1	121.2380	0.000	1	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:2:	3:3:1:	C[6,6a]-3:N[6]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]H)(N[6a]C[6a])	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6a])	N[6](C[6,6a]C[6,6a]N[6a])2(H)	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]H)(N[6a]C[6a]){1|N<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6a]){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]N[6a])2(H){1|O<2>,4|C<3>}	119.8775	0.363	2	119.8775	0.132	2	119.8775	0.132	2	119.3865	0.366	4	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:2:	3:3:1:	C[6,6a]-3:N[6]-3:N[6a]-2:	C[6,6a]-3:N[6]-3:N[6a]-2:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]N[6a]N[6])(N[6]C[6,6a]H)(N[6a]C[6a])	C[6,6a](C[6,6a]N[6a]N[6])(N[6]C[6,6a]H)(N[6a]C[6a])	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(H)	C[6,6a](C[6,6a]N[6a]N[6])(N[6]C[6,6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]N[6a]N[6])(N[6]C[6,6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(H){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	118.8680	0.000	1	118.8680	0.000	1	118.8955	0.002	2	119.3865	0.366	4	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:2:	3:3:1:	C[6,6a]-3:N[6]-3:N[6a]-2:	C[6,6a]-3:N[6]-3:N[6a]-2:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]N[6a]N[6])(N[6]C[6,6a]H)(N[6a]C[6a])	C[6,6a](C[6,6a]N[6a]N[6])(N[6]C[6,6a]H)(N[6a]C[6a])	N[6](C[6,6a]C[6,6a]N[6a])2(H)	C[6,6a](C[6,6a]N[6a]N[6])(N[6]C[6,6a]H)(N[6a]C[6a]){1|H<1>,1|N<2>,3|C<3>}	C[6,6a](C[6,6a]N[6a]N[6])(N[6]C[6,6a]H)(N[6a]C[6a]){1|H<1>,1|N<2>,3|C<3>}	N[6](C[6,6a]C[6,6a]N[6a])2(H){1|N<3>,2|C<3>,2|N<2>}	118.9230	0.000	1	118.9230	0.000	1	118.8955	0.002	2	119.3865	0.366	4	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:2:	3:3:2:	C[6,6a]-3:N[6]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6a]N[6])(N[6a]C[6a])	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]N[6a]C)(S[6]C[6])	N[6](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]2)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6a]N[6])(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]N[6a]C)(S[6]C[6]){1|N<2>,1|S<2>,2|C<3>}	N[6](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]2)(N[6]C[6]){2|H<1>,2|S<2>,4|C<3>}	119.2280	0.000	1	119.2280	0.000	1	119.2280	0.000	1	119.2280	0.000	1	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:2:	3:3:4:	C[6,6a]-3:N[6]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(N[6a]C[6a])	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(CCHH)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(N[6a]C[6a]){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(CCHH){1|H<1>,1|S<2>,4|C<3>}	120.6360	0.000	1	120.6360	0.000	1	120.6360	0.000	1	120.3237	0.102	3	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:2:	3:3:4:	C[6,6a]-3:N[6]-3:N[6a]-2:	C[6,6a]-3:N[6]-3:N[6a]-2:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]N[6a]N[6])(N[6]C[6,6a]C)(N[6a]C[6a])	C[6,6a](C[6,6a]N[6a]N[6])(N[6]C[6,6a]C)(N[6a]C[6a])	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(CCHH)	C[6,6a](C[6,6a]N[6a]N[6])(N[6]C[6,6a]C)(N[6a]C[6a]){1|C<2>,1|C<4>,3|C<3>}	C[6,6a](C[6,6a]N[6a]N[6])(N[6]C[6,6a]C)(N[6a]C[6a]){1|C<2>,1|C<4>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(CCHH){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	120.1675	0.241	2	120.1675	0.058	2	120.1675	0.058	2	120.3237	0.102	3	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:2:	3:4:1:	C[6,6a]-3:N[6]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6]H)(N[6a]C[6a])	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]N[6a]O)(N[6]C[6,6])	N[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]O[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6]H)(N[6a]C[6a]){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|N<3>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]N[6a]O)(N[6]C[6,6]){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]O[6]H)(H){1|C<4>,1|N<2>,3|C<3>}	120.5240	0.543	2	120.5240	0.295	2	120.5240	0.295	2	120.5240	0.295	2	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:4:	C[6,6a]-3:N[6]-3:N[6a]-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(N[6a]C[6a])	C[6,6a](C[6,6a]N[6a]N[6])(C[6]C[6,6a]H)(C[6a]N[6a]O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(CCHH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(N[6a]C[6a]){1|H<1>,1|O<1>,2|C<3>,2|N<3>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6]C[6,6a]H)(C[6a]N[6a]O){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(CCHH){1|H<1>,5|C<3>}	118.2220	0.000	1	118.2220	0.000	1	118.2220	0.000	1	118.2220	0.000	1	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:4:1:	C[6,6a]-3:N[6]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6]H)(N[6a]C[6a])	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	N[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6]2N[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6]H)(N[6a]C[6a]){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	N[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6]2N[6])(H){2|C<4>,3|C<3>,5|H<1>}	120.0730	0.000	2	120.0730	0.000	2	120.0730	0.000	2	120.3284	0.442	5	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:4:1:	C[6,6a]-3:N[6]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6]H)(N[6a]C[6a])	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]N[6a]O)(N[6]C[6,6]C)	N[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]O[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6]H)(N[6a]C[6a]){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|O<2>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]N[6a]O)(N[6]C[6,6]C){1|C<3>,2|H<1>,3|C<4>}	N[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]O[6]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	120.9520	0.564	2	120.9520	0.318	2	120.4987	0.776	3	120.3284	0.442	5	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:4:1:	C[6,6a]-3:N[6]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6]H)(N[6a]C[6a])	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]N[6a]O)(N[6]C[6,6]H)	N[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]O[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6]H)(N[6a]C[6a]){1|C<4>,1|O<1>,1|O<2>,2|H<1>,2|N<3>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]N[6a]O)(N[6]C[6,6]H){1|C<3>,2|C<4>,3|H<1>}	N[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]O[6]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	119.5920	0.000	1	119.5920	0.000	1	120.4987	0.776	3	120.3284	0.442	5	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:4:3:	C[6,6a]-3:N[6]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6,6]-4:C-3:	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6]C)(N[6a]C[6a])	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]N[6a]O)(N[6]C[6,6]H)	N[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]O[6]H)(COO)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6]C)(N[6a]C[6a]){1|C<4>,1|O<1>,1|O<2>,2|H<1>,2|N<3>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]N[6a]O)(N[6]C[6,6]H){2|C<3>,2|C<4>,2|H<1>}	N[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]O[6]H)(COO){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	117.8630	0.000	1	117.8630	0.000	1	117.8630	0.000	1	118.6570	1.261	2	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:4:3:	C[6,6a]-3:N[6]-3:N[6a]-2:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]N[5a,6]C[6a])(N[6]C[6a]C[6])(N[6a]C[6a])	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]N[6a]N[6])(C[6a]N[6a]Cl)	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[5a,6]C[5]H)(C[6a]C[6a]2)	C[6,6a](C[6,6a]N[5a,6]C[6a])(N[6]C[6a]C[6])(N[6a]C[6a]){1|Cl<1>,1|C<4>,1|N<2>,2|H<1>,4|C<3>}	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]N[6a]N[6])(C[6a]N[6a]Cl){1|C<4>,1|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[5a,6]C[5]H)(C[6a]C[6a]2){1|C<4>,2|N<3>,3|H<1>,5|C<3>}	119.4510	0.000	1	119.4510	0.000	1	119.4510	0.000	1	118.6570	1.261	2	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:4:4:	C[6,6a]-3:N[6]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6]-4:C[3]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6]C[3])(N[6a]C[6a])	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	N[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6]N[6]2)(C[3]C[3]2H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6]C[3])(N[6a]C[6a]){1|O<1>,2|C<3>,2|C<4>,2|N<3>,3|H<1>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6]N[6]2)(C[3]C[3]2H){1|O<1>,5|C<3>,6|H<1>}	121.2500	0.000	1	121.2500	0.000	1	121.2500	0.000	1	121.2500	0.000	1	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:4:3:	3:3:3:	C[6,6a]-3:N[6]-3:S[6a]-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6a]C[6])(S[6a]C[6a,6a])	C[6,6a](C[6,6a]S[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a,6a]O)	N[6](C[6,6a]C[6,6a]S[6a])(C[6a]C[6a]2)(C[6]C[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6a]C[6])(S[6a]C[6a,6a]){1|H<1>,1|N<3>,1|O<1>,6|C<3>}	C[6,6a](C[6,6a]S[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a,6a]O){7|C<3>}	N[6](C[6,6a]C[6,6a]S[6a])(C[6a]C[6a]2)(C[6]C[6]N){1|C<4>,2|H<1>,5|C<3>}	121.2355	0.559	2	121.2355	0.313	2	121.4340	0.391	4	121.4340	0.391	4	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:4:3:	3:3:3:	C[6,6a]-3:N[6]-3:S[6a]-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6a]C[6])(S[6a]C[6a,6a])	C[6,6a](C[6,6a]S[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a,6a]O)	N[6](C[6,6a]C[6,6a]S[6a])(C[6a]C[6a]2)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6a]C[6])(S[6a]C[6a,6a]){1|C<4>,1|H<1>,2|O<1>,5|C<3>}	C[6,6a](C[6,6a]S[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a,6a]O){1|H<1>,1|N<3>,6|C<3>}	N[6](C[6,6a]C[6,6a]S[6a])(C[6a]C[6a]2)(C[6]C[6]O){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	122.2250	0.000	1	121.6325	0.702	2	121.4340	0.391	4	121.4340	0.391	4	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:4:3:	3:3:3:	C[6,6a]-3:N[6]-3:S[6a]-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6a]C[6])(S[6a]C[6a,6a])	C[6,6a](C[6,6a]S[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a,6a]O)	N[6](C[6,6a]C[6,6a]S[6a])(C[6a]C[6a]2)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6a]C[6])(S[6a]C[6a,6a]){1|C<4>,1|H<1>,2|O<1>,5|C<3>}	C[6,6a](C[6,6a]S[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a,6a]O){2|H<1>,6|C<3>}	N[6](C[6,6a]C[6,6a]S[6a])(C[6a]C[6a]2)(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	121.0400	0.000	1	121.6325	0.702	2	121.4340	0.391	4	121.4340	0.391	4	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	4:3:3:	3:3:1:	C[6,6a]-3:N[6]-3:N[6a]-2:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6]H)(N[6a]C[6a])	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]N[6a]N[6])(C[6a]N[6a]O)	N[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6]H)(N[6a]C[6a]){1|H<1>,1|N<3>,1|O<1>,1|S<2>,3|C<3>}	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]N[6a]N[6])(C[6a]N[6a]O){1|H<1>,2|C<4>,4|C<3>}	N[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]C[6])(H){3|C<3>,3|C<4>}	120.9440	0.000	1	119.9597	0.437	4	119.9597	0.437	4	119.9597	0.437	4	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	4:3:3:	3:3:1:	C[6,6a]-3:N[6]-3:N[6a]-2:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6]H)(N[6a]C[6a])	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]N[6a]N[6])(C[6a]N[6a]O)	N[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6]H)(N[6a]C[6a]){1|H<1>,1|N<3>,1|O<1>,1|S<2>,3|C<3>}	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]N[6a]N[6])(C[6a]N[6a]O){2|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]C[6])(H){1|C<4>,1|O<1>,4|C<3>}	119.6317	0.099	3	119.9597	0.437	4	119.9597	0.437	4	119.9597	0.437	4	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	4:3:3:	4:3:1:	C[6,6a]-3:N[6]-3:N[6a]-2:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[5,6]H)(N[6a]C[6a])	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]N[6a]N[6])(C[6a]N[6a]O)	N[6](C[5,6]C[5,6a]C[5,6]O)(C[6,6a]C[6,6a]N[6a])(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[5,6]H)(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|O<2>}	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]N[6a]N[6])(C[6a]N[6a]O){1|C<4>,3|H<1>,4|C<3>}	N[6](C[5,6]C[5,6a]C[5,6]O)(C[6,6a]C[6,6a]N[6a])(H){1|C<4>,1|H<1>,5|C<3>}	122.1190	0.000	1	122.1190	0.000	1	122.1190	0.000	1	122.1190	0.000	1	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:2:2:	3:3:1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:S[6]-2:N[6a]-2:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]N[6a]S[6])(N[6]C[6,6a]H)(C[6a]N[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(S[6]C[6,6a])(N[6a]C[6a])	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]N[6a]S[6])(N[6]C[6,6a]H)(C[6a]N[6a]H){3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(S[6]C[6,6a])(N[6a]C[6a]){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])2(H){1|S<2>,2|C<3>,2|H<1>,2|N<2>}	124.4460	0.000	1	124.4460	0.000	1	124.4460	0.000	1	124.4460	0.000	1	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:2:3:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:Se[6]-2:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]Se[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(Se[6]C[6,6a])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]Se[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(Se[6]C[6,6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|Se<2>,4|H<1>,6|C<3>}	119.2450	0.199	2	119.2450	0.040	2	119.2450	0.040	2	119.2450	0.040	2	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:2:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:N[6]-2:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]N[6]O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]O)(N[6]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]N[6]O){1|H<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]O)(N[6]C[6]){1|C<3>,1|H<1>,1|N<2>,1|O<1>,2|N<3>}	N[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	117.2790	0.000	1	117.2790	0.000	1	117.2790	0.000	1	117.2790	0.000	1	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]N[6])(N[6a]C[6a])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]H)(N[6]C[6]H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]N[6])(N[6a]C[6a]){4|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	119.4870	0.000	1	119.4870	0.000	1	119.4870	0.000	1	119.1201	3.105	154	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6]H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6]){1|C<2>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H){1|C<2>,1|N<2>,2|H<1>,3|C<3>}	116.9510	0.000	1	116.9510	0.000	1	116.9510	0.000	1	119.1201	3.105	154	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6])(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){3|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6])(H){1|H<1>,1|N<2>,1|S<2>,4|C<3>}	116.4660	0.238	2	116.4660	0.056	2	117.2579	0.533	15	119.1201	3.105	154	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<4>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	116.4643	0.618	3	117.4112	0.773	8	117.2579	0.533	15	119.1201	3.105	154	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){2|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|N<2>,2|C<3>,2|H<1>}	117.7320	0.252	2	117.4112	0.773	8	117.2579	0.533	15	119.1201	3.105	154	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){3|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,1|N<2>,3|C<3>}	118.1443	0.193	3	117.4112	0.773	8	117.2579	0.533	15	119.1201	3.105	154	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H){2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){2|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<2>,2|C<3>,2|H<1>}	117.8260	0.000	1	117.6795	0.043	2	117.2579	0.533	15	119.1201	3.105	154	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H){2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){3|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,3|C<3>}	117.5330	0.000	1	117.6795	0.043	2	117.2579	0.533	15	119.1201	3.105	154	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H){1|S<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){1|N<3>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	117.1425	0.248	2	117.1425	0.062	2	117.2579	0.533	15	119.1201	3.105	154	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){3|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(H){1|H<1>,1|N<2>,5|C<3>}	117.0020	0.000	1	117.0020	0.000	1	117.2579	0.533	15	119.1201	3.105	154	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6])(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]O){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){1|O<1>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6])(O){1|N<2>,2|C<3>,2|H<1>,2|N<3>}	118.4335	0.336	2	118.4335	0.113	2	118.0204	0.272	8	119.1201	3.105	154	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]O){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	116.9750	0.000	1	117.6970	0.258	4	118.0204	0.272	8	119.1201	3.105	154	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]O){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	118.1160	0.000	1	117.6970	0.258	4	118.0204	0.272	8	119.1201	3.105	154	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]O){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){1|Br<1>,1|C<4>,1|H<1>,1|O<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	117.7230	0.000	1	117.6970	0.258	4	118.0204	0.272	8	119.1201	3.105	154	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]O){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	117.9740	0.000	1	117.6970	0.258	4	118.0204	0.272	8	119.1201	3.105	154	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]O){2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){1|O<1>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|N<2>,2|C<3>,2|H<1>}	117.9850	0.000	1	117.9850	0.000	1	118.0204	0.272	8	119.1201	3.105	154	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]O){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(O){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	118.5230	0.000	1	118.5230	0.000	1	118.0204	0.272	8	119.1201	3.105	154	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C)(N[6]C[6]H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H){1|C<4>,2|O<2>,3|C<3>}	117.9700	0.000	1	117.9700	0.000	1	118.3810	0.184	4	119.1201	3.105	154	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6]){1|O<1>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	118.7010	0.000	1	118.7500	0.005	2	118.3810	0.184	4	119.1201	3.105	154	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6]){1|O<1>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	118.7990	0.000	1	118.7500	0.005	2	118.3810	0.184	4	119.1201	3.105	154	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]H){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6]){2|C<3>,5|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H){1|O<2>,2|C<3>,3|H<1>}	118.0540	0.000	1	118.0540	0.000	1	118.3810	0.184	4	119.1201	3.105	154	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6,6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6,6]H){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6]){1|C<4>,2|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2)(H){1|C<4>,1|S<2>,2|H<1>,4|C<3>}	121.0000	0.000	1	121.0000	0.000	1	121.5567	0.208	6	119.1201	3.105	154	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6,6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6,6]H){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6]){1|C<4>,2|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H){1|C<4>,1|S<2>,2|H<1>,4|C<3>}	121.3910	0.134	3	121.6680	0.167	5	121.5567	0.208	6	119.1201	3.105	154	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6,6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6,6]H){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6]){3|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H){1|C<4>,1|S<2>,3|C<3>,3|H<1>}	121.9160	0.000	1	121.6680	0.167	5	121.5567	0.208	6	119.1201	3.105	154	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6,6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6,6]H){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6]){3|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H){1|C<4>,1|S<2>,2|H<1>,4|C<3>}	122.2510	0.000	1	121.6680	0.167	5	121.5567	0.208	6	119.1201	3.105	154	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6]){1|C<4>,2|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	121.4663	0.394	6	121.4565	0.133	8	120.3160	1.286	33	119.1201	3.105	154	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6]){2|C<3>,5|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|S<2>,2|C<3>,3|H<1>}	121.1470	0.000	1	121.4565	0.133	8	120.3160	1.286	33	119.1201	3.105	154	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6]){3|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,1|S<2>,3|C<3>}	121.7070	0.000	1	121.4565	0.133	8	120.3160	1.286	33	119.1201	3.105	154	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6]){1|N<2>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(H){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	122.1200	0.000	1	122.1200	0.000	1	120.3160	1.286	33	119.1201	3.105	154	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6]){1|C<4>,2|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	120.7570	0.092	2	120.8895	0.034	4	120.3160	1.286	33	119.1201	3.105	154	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6]){2|C<3>,2|F<1>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H){1|H<1>,1|S<2>,2|C<3>,2|F<1>}	121.1310	0.000	1	120.8895	0.034	4	120.3160	1.286	33	119.1201	3.105	154	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6]){3|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H){1|S<2>,2|H<1>,3|C<3>}	120.9130	0.000	1	120.8895	0.034	4	120.3160	1.286	33	119.1201	3.105	154	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]N[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6])(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]N[6]){1|Co<6>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6])(H){1|Co<6>,1|H<1>,1|N<3>,1|S<2>,3|C<3>}	120.2800	0.646	4	120.2800	0.417	4	120.3160	1.286	33	119.1201	3.105	154	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]N[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]N[6]){2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(H){1|H<1>,1|S<2>,4|C<3>}	118.4695	0.669	4	119.3047	0.688	14	120.3160	1.286	33	119.1201	3.105	154	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]N[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]N[6]){2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(H){1|H<1>,1|N<2>,1|S<2>,3|C<3>}	119.7482	0.396	6	119.3047	0.688	14	120.3160	1.286	33	119.1201	3.105	154	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]N[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]N[6]){2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(H){1|H<1>,1|S<2>,4|C<3>}	119.4748	0.953	4	119.3047	0.688	14	120.3160	1.286	33	119.1201	3.105	154	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]S)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]S)(S[6]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]S)(N[6]C[6]H){1|C<3>,1|C<4>,1|O<1>,2|S<2>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]S)(S[6]C[6]){1|O<2>,1|S<2>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H){2|C<3>,2|H<1>,2|S<2>}	120.8560	0.197	2	120.8560	0.039	2	120.3160	1.286	33	119.1201	3.105	154	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]N[6])(O[6]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]N[6])(O[6]C[6]){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	120.3825	0.262	2	120.3825	0.069	2	120.0640	0.339	3	119.1201	3.105	154	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]O)(N[6]C[6]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]N[6])(O[6]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]O)(N[6]C[6]H){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]N[6])(O[6]C[6]){1|C<4>,1|H<1>,2|O<2>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H){1|C<4>,2|O<2>,3|C<3>}	119.4270	0.000	1	119.4270	0.000	1	120.0640	0.339	3	119.1201	3.105	154	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6,6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[5,6a]C)(N[6]C[6,6a]H)	C[6,6a](C[6a]C[5,6a]C[6a])(C[6,6a]C[6a]N[6])(S[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[5,6a]C)(N[6]C[6,6a]H){1|C<4>,4|C<3>}	C[6,6a](C[6a]C[5,6a]C[6a])(C[6,6a]C[6a]N[6])(S[6]C[6,6a]){1|H<1>,7|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(H){1|H<1>,1|S<2>,5|C<3>}	120.0050	0.000	1	120.0050	0.000	1	119.9883	0.062	3	119.1201	3.105	154	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6,6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6,6a]C)(N[6]C[6,6a]H)	C[6,6a](C[6a]C[6,6a]C[5a])(C[6,6a]C[6a]N[6])(S[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6,6a]C)(N[6]C[6,6a]H){1|C<4>,4|C<3>}	C[6,6a](C[6a]C[6,6a]C[5a])(C[6,6a]C[6a]N[6])(S[6]C[6,6a]){1|H<1>,1|S<2>,6|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(H){1|H<1>,1|S<2>,5|C<3>}	120.2290	0.000	1	120.2290	0.000	1	119.9883	0.062	3	119.1201	3.105	154	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6,6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6,6a]C)(N[6]C[6,6a]H)	C[6,6a](C[6a]C[6,6a]C[6a])(C[6,6a]C[6a]N[6])(S[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6,6a]C)(N[6]C[6,6a]H){1|C<4>,4|C<3>}	C[6,6a](C[6a]C[6,6a]C[6a])(C[6,6a]C[6a]N[6])(S[6]C[6,6a]){1|H<1>,7|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(H){1|H<1>,1|S<2>,5|C<3>}	119.7310	0.000	1	119.7310	0.000	1	119.9883	0.062	3	119.1201	3.105	154	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[5a,6a]-3:C[6,6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[5a,6a]S[6])(N[6]C[6,6a]H)(C[6a]C[6a]C)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]N[6])(S[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[5a,6a]S[6])(N[6]C[6,6a]H)(C[6a]C[6a]C){1|N<3>,4|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]N[6])(S[6]C[6,6a]){2|H<1>,6|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(H){1|H<1>,1|S<2>,5|C<3>}	118.6787	0.268	3	118.6787	0.072	3	118.6787	0.072	3	119.1201	3.105	154	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:N[6a]-2:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]N[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]Cl)(N[6a]C[6a])	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]N[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]Cl)(N[6a]C[6a]){1|O<2>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(H){1|N<2>,2|H<1>,4|C<3>}	121.9065	0.449	2	121.9065	0.202	2	121.9065	0.202	2	119.1201	3.105	154	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6a]){1|N<3>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(H){1|N<2>,2|H<1>,4|C<3>}	119.6030	0.000	1	117.9116	1.039	36	117.8500	1.059	38	119.1201	3.105	154	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6a]){3|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])2(H){1|N<2>,2|H<1>,4|C<3>}	117.8633	0.991	35	117.9116	1.039	36	117.8500	1.059	38	119.1201	3.105	154	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6a])	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6a]){1|O<2>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(H){1|H<1>,1|N<2>,5|C<3>}	116.7410	0.457	2	116.7410	0.209	2	117.8500	1.059	38	119.1201	3.105	154	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6a]){1|O<1>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(O){1|N<2>,2|H<1>,4|C<3>}	118.4555	1.340	2	118.4555	1.796	2	118.4555	1.796	2	119.1201	3.105	154	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]H)(C[6a]C[6a]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(O[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]H)(C[6a]C[6a]C){1|C<2>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(O[6]C[6,6a]){1|C<2>,1|F<1>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(H){1|C<2>,1|H<1>,1|O<2>,4|C<3>}	118.9970	0.000	1	118.9970	0.000	1	118.3899	1.068	12	119.1201	3.105	154	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]H)(C[6a]C[6a]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]H)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|C<2>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(H){1|C<2>,1|H<1>,1|O<2>,4|C<3>}	118.2800	0.000	1	118.2800	0.000	1	118.3899	1.068	12	119.1201	3.105	154	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(O[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(O[6]C[6,6a]){3|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])2(H){1|C<2>,1|H<1>,1|O<2>,4|C<3>}	119.0330	0.000	1	119.0330	0.000	1	118.3899	1.068	12	119.1201	3.105	154	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6a]){3|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])2(H){1|C<2>,1|H<1>,1|O<2>,4|C<3>}	119.1100	0.000	1	119.1100	0.000	1	118.3899	1.068	12	119.1201	3.105	154	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]P)(O[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){1|H<1>,1|P<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]P)(O[6]C[6,6a]){3|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])2(H){1|O<2>,2|H<1>,4|C<3>}	119.3765	0.385	2	118.1574	1.429	8	118.3899	1.068	12	119.1201	3.105	154	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]P)(O[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){1|H<1>,1|P<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]P)(O[6]C[6,6a]){3|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])2(H){1|O<2>,2|H<1>,4|C<3>}	117.7510	1.086	6	118.1574	1.429	8	118.3899	1.068	12	119.1201	3.105	154	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){3|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])2(H){1|S<2>,2|H<1>,4|C<3>}	121.2900	0.000	1	121.6326	0.592	17	121.6326	0.592	17	119.1201	3.105	154	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|N<2>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])2(H){1|S<2>,2|C<3>,2|H<1>,2|N<2>}	121.8270	0.000	1	121.6326	0.592	17	121.6326	0.592	17	119.1201	3.105	154	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){3|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])2(H){1|H<1>,1|S<2>,5|C<3>}	121.0003	0.811	6	121.6326	0.592	17	121.6326	0.592	17	119.1201	3.105	154	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){3|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])2(H){1|S<2>,2|H<1>,4|C<3>}	122.0706	0.488	9	121.6326	0.592	17	121.6326	0.592	17	119.1201	3.105	154	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6a,6a]-3:C[6,6a]-3:N[6]-2:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(N[6]C[6,6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(N[6]C[6,6a])	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(N[6]C[6,6a]H){1|H<1>,6|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(N[6]C[6,6a]){2|H<1>,6|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(H){1|H<1>,1|N<2>,5|C<3>}	117.1330	0.467	2	117.1330	0.218	2	117.1330	0.218	2	119.1201	3.105	154	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(N[6]C[6,6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(O[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(N[6]C[6,6a]H){1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(O[6]C[6,6a]){1|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(H){1|N<3>,1|O<2>,5|C<3>}	118.1010	0.560	2	118.1010	0.314	2	118.4532	0.444	4	119.1201	3.105	154	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6a]C[6a,6a]N[6])(C[6,6a]C[6a]O[6])(N[6]C[6,6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(O[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6a]C[6a,6a]N[6])(C[6,6a]C[6a]O[6])(N[6]C[6,6a]H){1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(O[6]C[6,6a]){1|H<1>,1|N<3>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(H){1|N<3>,1|O<2>,5|C<3>}	118.8055	0.722	2	118.8055	0.521	2	118.4532	0.444	4	119.1201	3.105	154	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[5a,6a]H)(N[6]C[6a]N[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[5a,6a]H)(N[6]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[5a,6a]H)(N[6]C[6a]N[6]){1|H<1>,1|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[5a,6a]H)(N[6]C[6]){1|H<1>,2|N<2>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]){1|N<2>,3|H<1>,5|C<3>}	116.0010	0.000	1	116.0473	0.004	4	115.9292	0.073	5	116.2838	1.075	37	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[5a,6a]H)(N[6]C[6a]N[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[5a,6a]H)(N[6]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[5a,6a]H)(N[6]C[6a]N[6]){1|H<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[5a,6a]H)(N[6]C[6]){1|H<1>,2|N<2>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]){1|N<2>,3|H<1>,5|C<3>}	116.1380	0.000	1	116.0473	0.004	4	115.9292	0.073	5	116.2838	1.075	37	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[5a,6a]H)(N[6]C[6a]N[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[5a,6a]H)(N[6]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[5a,6a]H)(N[6]C[6a]N[6]){1|H<1>,1|S<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[5a,6a]H)(N[6]C[6]){1|H<1>,2|N<2>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]){1|N<2>,3|H<1>,5|C<3>}	116.0250	0.000	2	116.0473	0.004	4	115.9292	0.073	5	116.2838	1.075	37	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(N[6]C[6a]N[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(N[6]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(N[6]C[6a]N[6]){1|H<1>,1|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(N[6]C[6]){1|H<1>,2|N<2>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]){1|N<2>,3|H<1>,5|C<3>}	115.4570	0.000	1	115.4570	0.000	1	115.9292	0.073	5	116.2838	1.075	37	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-3:C-2:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(CN)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]C){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6]){1|C<2>,1|O<2>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(CN){1|S<2>,2|H<1>,4|C<3>}	119.8640	0.000	1	119.1060	1.149	2	119.1060	1.149	2	116.2838	1.075	37	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-3:C-2:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(CN)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]C){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6]){1|C<2>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(CN){1|S<2>,2|H<1>,4|C<3>}	118.3480	0.000	1	119.1060	1.149	2	119.1060	1.149	2	116.2838	1.075	37	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6,6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(N[6]C[6a]N[6])	C[6,6a](C[6a]C[6a,6a]C[6a])(C[6,6a]C[6a]N[6])(N[6]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(N[6]C[6a]N[6]){1|N<3>,5|C<3>}	C[6,6a](C[6a]C[6a,6a]C[6a])(C[6,6a]C[6a]N[6])(N[6]C[6]){1|H<1>,2|N<2>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]){1|N<2>,3|H<1>,5|C<3>}	115.9270	0.153	2	115.9270	0.023	2	115.9270	0.023	2	116.2838	1.075	37	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:2:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[5a,6a]-3:C[6,6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a](C[6,6a]C[5a,6a]N[6])(N[6]C[6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]N[6])(N[6]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6])	C[6,6a](C[6,6a]C[5a,6a]N[6])(N[6]C[6a]N[6])(C[6a]C[6a]H){1|N<2>,5|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]N[6])(N[6]C[6]){1|C<4>,1|H<1>,1|S<2>,2|C<3>,2|N<2>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]){1|C<4>,1|N<2>,3|H<1>,4|C<3>}	114.6350	0.000	1	114.6350	0.000	1	114.6350	0.000	1	116.2838	1.075	37	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:2:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]){1|C<4>,1|N<2>,3|H<1>,4|C<3>}	116.2310	0.000	1	116.1324	0.263	24	116.1019	0.259	26	116.2838	1.075	37	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:2:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){1|N<2>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]){1|N<2>,3|H<1>,5|C<3>}	115.8260	0.252	2	116.1324	0.263	24	116.1019	0.259	26	116.2838	1.075	37	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:2:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6a]N[6])(C[6a]C[6a]H){1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]){1|C<4>,1|N<2>,3|H<1>,4|C<3>}	114.6630	0.000	1	116.1324	0.263	24	116.1019	0.259	26	116.2838	1.075	37	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:2:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6a]N[6])(C[6a]C[6a]H){1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){1|N<2>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]){1|N<2>,3|H<1>,5|C<3>}	115.8232	0.115	5	116.1324	0.263	24	116.1019	0.259	26	116.2838	1.075	37	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:2:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6a]N[6])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<2>,1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]){1|C<4>,1|N<2>,3|H<1>,4|C<3>}	116.1750	0.000	1	116.1324	0.263	24	116.1019	0.259	26	116.2838	1.075	37	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:2:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6a]N[6])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]){1|C<4>,1|N<2>,3|H<1>,4|C<3>}	116.6603	0.392	4	116.1324	0.263	24	116.1019	0.259	26	116.2838	1.075	37	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:2:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6a]N[6])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){1|N<2>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]){1|N<2>,1|O<2>,2|H<1>,5|C<3>}	116.0860	0.006	2	116.1324	0.263	24	116.1019	0.259	26	116.2838	1.075	37	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:2:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6a]N[6])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){1|N<2>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]){1|N<2>,3|H<1>,5|C<3>}	116.3159	0.423	8	116.1324	0.263	24	116.1019	0.259	26	116.2838	1.075	37	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:2:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]N[6a])(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6a]N[6])(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){1|N<2>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]N[6a])(N[6]C[6]){1|N<2>,2|H<1>,5|C<3>}	115.7360	0.362	2	115.7360	0.131	2	116.1019	0.259	26	116.2838	1.075	37	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:2:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:C-2:	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])2(CC)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|C<2>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(CC){1|S<2>,2|H<1>,4|C<3>}	119.5030	0.000	1	119.5030	0.000	1	119.5030	0.000	1	116.2838	1.075	37	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6]-3:C-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CHH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C){2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){3|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CHH){1|N<2>,2|C<3>,2|H<1>}	117.1580	0.000	1	117.1580	0.000	1	117.1580	0.000	1	118.9591	2.019	293	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:C-3:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(COO)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(COO){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	117.7280	0.000	1	117.7280	0.000	1	117.7280	0.000	1	118.9591	2.019	293	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6,6a]-3:C-3:	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]O)(N[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])2(CCO)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]O)(N[6]C[6,6a]){2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(CCO){1|H<1>,1|N<2>,1|O<2>,4|C<3>}	115.6020	0.000	1	115.6020	0.000	1	115.7350	0.035	2	118.9591	2.019	293	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6,6a]-3:C-3:	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])2(CCO)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C)(C[6a]C[6a]O){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6a]){1|H<1>,1|O<2>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(CCO){1|H<1>,1|N<2>,1|O<2>,4|C<3>}	115.8680	0.000	1	115.8680	0.000	1	115.7350	0.035	2	118.9591	2.019	293	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6a]){1|H<1>,1|N<3>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|N<2>,4|H<1>,6|C<3>}	116.7330	0.475	3	117.2951	0.209	38	117.3046	0.207	39	118.9591	2.019	293	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6a]){1|H<1>,1|N<2>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|N<2>,4|H<1>,6|C<3>}	116.8560	0.000	1	117.2951	0.209	38	117.3046	0.207	39	118.9591	2.019	293	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6a]){1|H<1>,1|N<3>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|N<2>,4|H<1>,6|C<3>}	116.9882	0.241	13	117.2951	0.209	38	117.3046	0.207	39	118.9591	2.019	293	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6a]){2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|N<2>,4|H<1>,6|C<3>}	116.8515	0.210	2	117.2951	0.209	38	117.3046	0.207	39	118.9591	2.019	293	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6a]){2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|N<2>,4|H<1>,6|C<3>}	117.6920	0.000	1	117.2951	0.209	38	117.3046	0.207	39	118.9591	2.019	293	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6a]){2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|N<2>,4|H<1>,6|C<3>}	117.6620	0.265	18	117.2951	0.209	38	117.3046	0.207	39	118.9591	2.019	293	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6a])	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6a]){2|H<1>,4|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2){1|N<2>,3|H<1>,7|C<3>}	117.6680	0.000	1	117.6680	0.000	1	117.3046	0.207	39	118.9591	2.019	293	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(N[6]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(N[6]C[6]){3|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|N<2>,2|C<4>,2|H<1>,4|C<3>}	117.2953	0.408	3	117.2953	0.166	3	117.2953	0.166	3	118.9591	2.019	293	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:B-3:	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]B)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])2(BC[6a]2)	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]B)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|B<3>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(BC[6a]2){1|O<2>,2|H<1>,4|C<3>}	117.4843	1.201	4	117.4843	1.442	4	117.4843	1.442	4	118.9591	2.019	293	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:C-3:	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])2(CCO)	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6a]){2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(CCO){1|O<2>,2|H<1>,4|C<3>}	117.4235	0.466	2	117.4235	0.217	2	117.4235	0.217	2	118.9591	2.019	293	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6a]){2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]C[6]){1|N<2>,1|O<2>,3|H<1>,6|C<3>}	119.0355	0.308	2	119.0355	0.095	2	119.0355	0.095	2	118.9591	2.019	293	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]C){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|C<4>,1|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|C<4>,1|O<2>,3|H<1>,6|C<3>}	118.0760	0.000	1	118.0760	0.000	1	118.8266	0.770	111	118.9591	2.019	293	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a,6a]C[6a])	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6a]){2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a,6a]C[6a]){1|O<2>,3|H<1>,7|C<3>}	119.2968	0.174	6	119.2968	0.030	6	118.8266	0.770	111	118.9591	2.019	293	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a,6a]N[6a])	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6a]){2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a,6a]N[6a]){1|O<2>,2|H<1>,7|C<3>}	118.4638	0.582	10	118.4638	0.339	10	118.8266	0.770	111	118.9591	2.019	293	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|O<2>,4|H<1>,6|C<3>}	118.2330	0.000	1	118.8584	0.847	90	118.8266	0.770	111	118.9591	2.019	293	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6a]){2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|B<3>,1|O<2>,3|H<1>,6|C<3>}	118.8795	0.367	2	118.8584	0.847	90	118.8266	0.770	111	118.9591	2.019	293	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6a]){2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|C<4>,1|O<2>,3|H<1>,6|C<3>}	117.3440	0.000	1	118.8584	0.847	90	118.8266	0.770	111	118.9591	2.019	293	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6a]){2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|F<1>,1|O<2>,3|H<1>,6|C<3>}	118.5720	0.158	2	118.8584	0.847	90	118.8266	0.770	111	118.9591	2.019	293	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6a]){2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|O<2>,4|H<1>,6|C<3>}	118.8902	0.933	84	118.8584	0.847	90	118.8266	0.770	111	118.9591	2.019	293	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]N[6a])	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6a]){2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]N[6a]){1|O<2>,3|H<1>,6|C<3>}	118.4990	0.897	4	118.4990	0.805	4	118.8266	0.770	111	118.9591	2.019	293	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6a]C[6])(C[6a]C[6a]H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6]){3|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]O){1|O<2>,4|C<3>,5|H<1>}	118.0850	0.000	1	118.0850	0.000	1	118.0850	0.000	1	118.9591	2.019	293	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a,6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(O[6]C[6,6a])	N[6](C[6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a,6a]H){1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(O[6]C[6,6a]){1|H<1>,5|C<3>}	N[6](C[6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])2{1|N<3>,1|O<2>,2|H<1>,7|C<3>}	118.0375	1.002	4	118.0375	1.005	4	118.0375	1.005	4	118.9591	2.019	293	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:B-3:	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]B)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])2(BC[6a]2)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]B)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|B<3>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(BC[6a]2){1|S<2>,2|H<1>,4|C<3>}	120.4285	1.617	4	120.4285	2.616	4	120.4285	2.616	4	118.9591	2.019	293	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:C-3:	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])2(CCC)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(CCC){1|S<2>,2|H<1>,4|C<3>}	118.4300	1.784	4	118.4300	3.181	4	118.7919	1.550	20	118.9591	2.019	293	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:C-3:	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])2(CCH)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|Br<1>,1|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(CCH){1|S<2>,2|H<1>,4|C<3>}	121.6650	0.000	1	120.1215	2.184	4	118.7919	1.550	20	118.9591	2.019	293	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:C-3:	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])2(CCH)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(CCH){1|S<2>,2|H<1>,4|C<3>}	121.1060	0.000	1	120.1215	2.184	4	118.7919	1.550	20	118.9591	2.019	293	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:C-3:	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])2(CCH)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(CCH){1|S<2>,2|H<1>,4|C<3>}	118.8575	0.062	2	120.1215	2.184	4	118.7919	1.550	20	118.9591	2.019	293	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:C-3:	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])2(CCO)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(CCO){1|S<2>,2|H<1>,4|C<3>}	117.8760	0.122	2	117.8760	0.015	2	118.7919	1.550	20	118.9591	2.019	293	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:C-3:	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])2(CC[5]O)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(CC[5]O){1|S<2>,2|H<1>,4|C<3>}	118.1258	0.339	4	118.1258	0.115	4	118.7919	1.550	20	118.9591	2.019	293	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:C-3:	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])2(CHO)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|H<1>,1|N<3>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(CHO){1|S<2>,2|H<1>,4|C<3>}	119.1770	0.205	2	119.1770	0.042	2	118.7919	1.550	20	118.9591	2.019	293	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:C-3:	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])2(CNO)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|H<1>,1|N<3>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(CNO){1|S<2>,2|H<1>,4|C<3>}	118.7560	0.730	4	118.7560	0.532	4	118.7919	1.550	20	118.9591	2.019	293	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:C[5]-3:	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[5])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])2(C[5]Se[5]C[5])	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[5])(C[6a]C[6a]H){1|Se<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[5]Se[5]C[5]){1|S<2>,3|H<1>,6|C<3>}	120.7218	1.005	4	120.7218	1.010	4	120.7218	1.010	4	118.9591	2.019	293	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:C[5a]-3:	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[5a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])2(C[5a]C[5a]S[5a])	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[5a])(C[6a]C[6a]H){1|S<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[5a]C[5a]S[5a]){1|S<2>,3|H<1>,6|C<3>}	119.8957	0.332	4	119.8957	0.110	4	119.8957	0.110	4	118.9591	2.019	293	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]C){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|C<4>,1|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|C<4>,1|S<2>,3|H<1>,6|C<3>}	119.2990	0.000	1	119.2990	0.000	1	120.0224	1.770	90	118.9591	2.019	293	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a,6a]C[6a])	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a,6a]C[6a]){1|S<2>,3|H<1>,7|C<3>}	119.3000	0.753	4	119.3000	0.567	4	120.0224	1.770	90	118.9591	2.019	293	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|H<1>,1|N<3>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|S<2>,4|H<1>,6|C<3>}	120.0235	0.080	2	120.1532	1.732	81	120.0224	1.770	90	118.9591	2.019	293	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|S<2>,2|C<4>,2|H<1>,6|C<3>}	122.9610	0.000	1	120.1532	1.732	81	120.0224	1.770	90	118.9591	2.019	293	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|S<2>,4|H<1>,6|C<3>}	121.2730	0.612	2	120.1532	1.732	81	120.0224	1.770	90	118.9591	2.019	293	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|C<4>,1|S<2>,3|H<1>,6|C<3>}	119.6978	0.309	5	120.1532	1.732	81	120.0224	1.770	90	118.9591	2.019	293	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|N<3>,1|S<2>,3|H<1>,6|C<3>}	120.7655	0.483	2	120.1532	1.732	81	120.0224	1.770	90	118.9591	2.019	293	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|O<2>,1|S<2>,3|H<1>,6|C<3>}	119.3400	0.035	2	120.1532	1.732	81	120.0224	1.770	90	118.9591	2.019	293	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|S<2>,2|C<4>,2|H<1>,6|C<3>}	122.7490	0.000	1	120.1532	1.732	81	120.0224	1.770	90	118.9591	2.019	293	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|S<2>,4|H<1>,6|C<3>}	120.0819	1.341	66	120.1532	1.732	81	120.0224	1.770	90	118.9591	2.019	293	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]N[6a])	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]N[6a]){1|S<2>,3|H<1>,6|C<3>}	118.1950	0.974	2	118.1950	0.949	2	120.0224	1.770	90	118.9591	2.019	293	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]N[6a]2)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,2|N<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]N[6a]2){1|S<2>,2|H<1>,6|C<3>}	118.5010	0.000	1	118.3560	0.042	2	120.0224	1.770	90	118.9591	2.019	293	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]N[6a]2)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,2|N<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]N[6a]2){1|S<2>,2|H<1>,6|C<3>}	118.2110	0.000	1	118.3560	0.042	2	120.0224	1.770	90	118.9591	2.019	293	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6a,6a]-3:C[6,6a]-3:N[6]-2:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(N[6]C[6,6a]C[6a])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(N[6]C[6,6a])	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(N[6]C[6,6a]C[6a]){1|H<1>,8|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(N[6]C[6,6a]){1|H<1>,7|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2){1|N<2>,3|H<1>,7|C<3>}	117.0200	0.000	1	117.0200	0.000	1	117.0200	0.000	1	118.9591	2.019	293	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]N[6])(N[6a]C[6a])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]H)(CCHH)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]H)(N[6]C[6]C){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]N[6])(N[6a]C[6a]){1|C<4>,3|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]H)(CCHH){1|H<1>,1|N<2>,3|C<3>}	120.0970	0.000	1	120.0970	0.000	1	120.0970	0.000	1	120.1799	2.283	239	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCHH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C){2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<4>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCHH){1|H<1>,1|N<2>,3|C<3>}	117.0740	0.000	1	117.0740	0.000	1	116.8990	0.057	5	120.1799	2.283	239	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC[6a]HH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C){2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<4>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC[6a]HH){1|H<1>,1|N<2>,3|C<3>}	116.7230	0.000	2	116.7230	0.000	2	116.8990	0.057	5	120.1799	2.283	239	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C){2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<4>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|H<1>,1|N<2>,3|C<3>}	116.9875	0.344	2	116.9875	0.119	2	116.8990	0.057	5	120.1799	2.283	239	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|F<1>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH){1|O<2>,2|C<3>,3|H<1>}	118.8046	0.603	5	118.7823	0.463	9	118.7727	0.365	12	120.1799	2.283	239	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6]){1|F<1>,2|C<3>,2|C<4>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	118.0310	0.000	1	118.7823	0.463	9	118.7727	0.365	12	120.1799	2.283	239	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6]){1|Br<1>,2|C<3>,2|C<4>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	118.2430	0.000	1	118.7823	0.463	9	118.7727	0.365	12	120.1799	2.283	239	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,2|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH){1|O<2>,2|C<3>,3|H<1>}	118.7830	0.000	1	118.7823	0.463	9	118.7727	0.365	12	120.1799	2.283	239	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6]){1|Cl<1>,1|C<4>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH){1|O<2>,2|C<3>,3|H<1>}	119.9610	0.000	1	118.7823	0.463	9	118.7727	0.365	12	120.1799	2.283	239	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]HH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,2|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]HH){1|O<2>,2|C<3>,3|H<1>}	119.1430	0.000	1	118.7440	0.156	3	118.7727	0.365	12	120.1799	2.283	239	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]HH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6]){1|Cl<1>,2|C<3>,2|C<4>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]HH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	118.7370	0.000	1	118.7440	0.156	3	118.7727	0.365	12	120.1799	2.283	239	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]HH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,2|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]HH){1|O<2>,2|C<3>,3|H<1>}	118.3520	0.000	1	118.7440	0.156	3	118.7727	0.365	12	120.1799	2.283	239	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]2)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[4,6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]O)(C[6]C[6]2H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[4,6]){1|Cl<1>,1|H<1>,2|C<3>,3|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]O)(C[6]C[6]2H){1|O<2>,2|C<3>,4|C<4>,5|H<1>}	118.4640	0.000	1	118.4640	0.000	1	118.4640	0.000	1	120.1799	2.283	239	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6]-3:C-4:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6,6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6])(CH3)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6,6]C){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6]){2|C<3>,2|C<4>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6])(CH3){1|C<4>,1|S<2>,2|H<1>,3|C<3>}	120.8880	0.000	1	120.8880	0.000	1	120.8880	0.000	1	120.1799	2.283	239	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6,6a]C)(N[6]C[6,6a]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6,6a]C)(S[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6,6a]C)(N[6]C[6,6a]C){1|C<2>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6,6a]C)(S[6]C[6,6a]){1|C<2>,1|C<4>,1|O<2>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){1|C<2>,1|H<1>,1|S<2>,4|C<3>}	119.6360	0.000	1	119.9070	0.147	2	119.1810	1.655	3	120.1799	2.283	239	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6,6a]C)(N[6]C[6,6a]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6,6a]C)(S[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6,6a]C)(N[6]C[6,6a]C){1|C<2>,1|S<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6,6a]C)(S[6]C[6,6a]){1|C<2>,1|C<4>,1|N<3>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){1|C<2>,1|H<1>,1|S<2>,4|C<3>}	120.1780	0.000	1	119.9070	0.147	2	119.1810	1.655	3	120.1799	2.283	239	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a,6a]C)(N[6]C[6,6a]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(S[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])2(CH3)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a,6a]C)(N[6]C[6,6a]C){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(S[6]C[6,6a]){1|C<4>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(CH3){1|H<1>,1|S<2>,5|C<3>}	117.7290	0.000	1	117.7290	0.000	1	119.1810	1.655	3	120.1799	2.283	239	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]C){2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6]){1|C<4>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|H<1>,1|S<2>,3|C<3>}	120.8930	0.000	1	120.8930	0.000	1	120.8862	0.230	30	120.1799	2.283	239	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6]){1|C<4>,2|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH){1|S<2>,2|C<3>,3|H<1>}	120.3130	0.220	4	120.8015	0.257	15	120.8862	0.230	30	120.1799	2.283	239	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]C){1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6]){1|C<4>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH){1|H<1>,1|S<2>,3|C<3>}	120.9791	0.463	11	120.8015	0.257	15	120.8862	0.230	30	120.1799	2.283	239	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[5]HH)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6]){1|C<4>,2|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[5]HH){1|S<2>,2|C<3>,3|H<1>}	121.0310	0.000	1	121.0310	0.000	1	120.8862	0.230	30	120.1799	2.283	239	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[5a]HH)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6]){1|C<4>,2|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[5a]HH){1|S<2>,2|C<3>,3|H<1>}	120.7808	0.426	5	120.6478	0.251	6	120.8862	0.230	30	120.1799	2.283	239	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[5a]HH)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]C){1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6]){1|C<4>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[5a]HH){1|H<1>,1|S<2>,3|C<3>}	119.9830	0.000	1	120.6478	0.251	6	120.8862	0.230	30	120.1799	2.283	239	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]HH)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6]){1|C<4>,2|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]HH){1|S<2>,2|C<3>,3|H<1>}	121.1490	0.000	1	121.3930	0.113	3	120.8862	0.230	30	120.1799	2.283	239	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]HH)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]C){1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6]){1|C<4>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]HH){1|H<1>,1|S<2>,3|C<3>}	121.5150	0.369	2	121.3930	0.113	3	120.8862	0.230	30	120.1799	2.283	239	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6]){1|C<2>,1|C<4>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3){1|S<2>,2|C<3>,3|H<1>}	121.2890	0.089	2	121.1437	0.031	4	120.8862	0.230	30	120.1799	2.283	239	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6]){1|C<4>,2|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3){1|S<2>,2|C<3>,3|H<1>}	121.0000	0.000	1	121.1437	0.031	4	120.8862	0.230	30	120.1799	2.283	239	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]C){1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6]){1|C<4>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3){1|H<1>,1|S<2>,3|C<3>}	120.9970	0.000	1	121.1437	0.031	4	120.8862	0.230	30	120.1799	2.283	239	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:Se[6]-2:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]Se[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(Se[6]C[5,6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(CH3)	C[6,6a](C[6,6a]C[6a]Se[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(Se[6]C[5,6]){1|Se<2>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(CH3){2|Se<2>,1|H<1>,1|N<3>,2|C<3>}	122.1470	0.000	1	122.1470	0.000	1	122.1470	0.000	1	120.1799	2.283	239	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[5a,6]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[5a,6]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[5a,6])	N[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])(CH3)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[5a,6]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[5a,6]){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])(CH3){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	118.4730	0.000	1	118.4730	0.000	1	118.4730	0.000	1	120.1799	2.283	239	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(CH3)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6a]){1|H<1>,2|C<4>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(CH3){1|N<2>,2|H<1>,4|C<3>}	116.8710	0.079	4	116.8710	0.006	4	117.2966	0.233	8	120.1799	2.283	239	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])2(CH3)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6a]){1|C<4>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(CH3){1|N<2>,2|H<1>,4|C<3>}	117.7223	0.233	4	117.7223	0.054	4	117.2966	0.233	8	120.1799	2.283	239	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|C<4>,1|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){1|O<2>,2|H<1>,4|C<3>}	118.6445	0.197	2	118.7567	0.192	4	119.1198	0.656	6	120.1799	2.283	239	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|C<4>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){1|O<2>,2|H<1>,4|C<3>}	118.8690	0.697	2	118.7567	0.192	4	119.1198	0.656	6	120.1799	2.283	239	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])2(CIrNN)	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|C<4>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(CIrNN){1|O<2>,2|H<1>,4|C<3>}	119.8460	1.061	2	119.8460	1.125	2	119.1198	0.656	6	120.1799	2.283	239	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6a]C[6])(C[6a]C[6a]H){1|C<2>,1|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<2>,1|C<4>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH){1|O<2>,4|C<3>,5|H<1>}	119.1070	0.000	1	119.1070	0.000	1	119.1070	0.000	1	120.1799	2.283	239	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){3|C<3>,3|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){1|S<2>,2|C<4>,4|C<3>}	120.5520	0.328	2	120.5520	0.108	2	120.4988	1.912	165	120.1799	2.283	239	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]F)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]F)(S[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]F){1|F<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]F)(S[6]C[6,6a]){1|C<4>,2|F<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){1|F<1>,1|H<1>,1|S<2>,4|C<3>}	119.7070	0.000	1	119.7070	0.000	1	120.4988	1.912	165	120.1799	2.283	239	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(CCHH)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|C<4>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(CCHH){1|H<1>,1|S<2>,4|C<3>}	120.0470	0.000	1	120.0470	0.000	1	120.4988	1.912	165	120.1799	2.283	239	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|C<4>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){1|S<2>,2|H<1>,4|C<3>}	119.5105	1.356	2	120.5203	2.021	134	120.4988	1.912	165	120.1799	2.283	239	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|C<4>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){1|S<2>,2|H<1>,4|C<3>}	119.5000	0.000	1	120.5203	2.021	134	120.4988	1.912	165	120.1799	2.283	239	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){1|S<2>,2|H<1>,4|C<3>}	121.1470	0.000	1	120.5203	2.021	134	120.4988	1.912	165	120.1799	2.283	239	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){1|S<2>,2|H<1>,4|C<3>}	120.6050	0.000	1	120.5203	2.021	134	120.4988	1.912	165	120.1799	2.283	239	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){1|S<2>,2|H<1>,4|C<3>}	120.6465	2.122	4	120.5203	2.021	134	120.4988	1.912	165	120.1799	2.283	239	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|C<4>,1|H<1>,1|S<4>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){1|S<2>,2|H<1>,4|C<3>}	119.2340	0.424	2	120.5203	2.021	134	120.4988	1.912	165	120.1799	2.283	239	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|C<4>,1|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){1|S<2>,2|H<1>,4|C<3>}	120.5854	1.407	43	120.5203	2.021	134	120.4988	1.912	165	120.1799	2.283	239	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|C<4>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){1|C<2>,1|H<1>,1|S<2>,4|C<3>}	119.7260	0.216	2	120.5203	2.021	134	120.4988	1.912	165	120.1799	2.283	239	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|C<4>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){1|F<1>,1|H<1>,1|S<2>,4|C<3>}	119.3450	0.000	1	120.5203	2.021	134	120.4988	1.912	165	120.1799	2.283	239	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|C<4>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){1|S<2>,2|H<1>,4|C<3>}	120.5816	1.467	71	120.5203	2.021	134	120.4988	1.912	165	120.1799	2.283	239	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|H<1>,2|C<4>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){1|S<2>,2|H<1>,4|C<3>}	120.5213	1.378	6	120.5203	2.021	134	120.4988	1.912	165	120.1799	2.283	239	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])2(CC[6]HH)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|C<4>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(CC[6]HH){1|S<2>,2|H<1>,4|C<3>}	118.5420	0.197	2	118.5420	0.039	2	120.4988	1.912	165	120.1799	2.283	239	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]HH)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|C<4>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]HH){1|S<2>,2|H<1>,4|C<3>}	119.9966	0.901	8	119.9966	0.811	8	120.4988	1.912	165	120.1799	2.283	239	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])2(CH3)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(CH3){1|S<2>,2|H<1>,4|C<3>}	121.3850	1.463	8	120.8070	1.903	13	120.4988	1.912	165	120.1799	2.283	239	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])2(CH3)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|C<4>,1|H<1>,1|P<4>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(CH3){1|S<2>,2|H<1>,4|C<3>}	119.6610	0.000	1	120.8070	1.903	13	120.4988	1.912	165	120.1799	2.283	239	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])2(CH3)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|C<4>,1|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(CH3){1|S<2>,2|H<1>,4|C<3>}	119.7750	0.000	1	120.8070	1.903	13	120.4988	1.912	165	120.1799	2.283	239	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])2(CH3)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|C<4>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(CH3){1|H<1>,1|S<2>,5|C<3>}	119.8810	0.000	1	120.8070	1.903	13	120.4988	1.912	165	120.1799	2.283	239	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])2(CH3)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|C<4>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(CH3){1|S<2>,2|H<1>,4|C<3>}	120.0470	0.882	2	120.8070	1.903	13	120.4988	1.912	165	120.1799	2.283	239	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])2(CIrNN)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|C<4>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(CIrNN){1|S<2>,2|H<1>,4|C<3>}	121.7920	0.923	2	121.7920	0.853	2	120.4988	1.912	165	120.1799	2.283	239	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]N[6a]H)(S[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]N[6a]H)(S[6]C[6,6a]){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){1|N<2>,1|S<2>,2|H<1>,3|C<3>}	120.1730	0.000	1	120.1730	0.000	1	120.4988	1.912	165	120.1799	2.283	239	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]N[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]N[6a]H){1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){1|N<2>,1|S<2>,2|H<1>,3|C<3>}	120.4260	0.000	1	120.4260	0.000	1	120.4988	1.912	165	120.1799	2.283	239	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:4:	C[6,6a]-3:N[6]-3:N[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C)(N[6a]C[6a]H)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]N[6a]O)(N[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(CH3)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C)(N[6a]C[6a]H){1|N<3>,2|C<3>,2|O<1>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]N[6a]O)(N[6]C[6,6a]){1|C<4>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(CH3){1|N<2>,2|H<1>,4|C<3>}	118.6300	1.145	4	118.6300	1.312	4	118.6300	1.312	4	120.1799	2.283	239	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]2)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]2)(N[6]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]2)(N[6]C[6]H){1|C<4>,1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]2)(N[6]C[6]){1|C<4>,2|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(H){1|N<2>,6|C<3>}	116.7980	0.000	1	116.7980	0.000	1	117.8897	4.490	4	120.2703	3.854	30	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6])(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H){2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<4>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6])(H){1|H<1>,1|N<2>,7|C<3>}	116.8520	0.000	1	116.8520	0.000	1	117.8897	4.490	4	120.2703	3.854	30	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H){1|Br<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<4>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|H<1>,1|N<2>,5|C<3>}	116.8410	0.000	1	118.9545	8.934	2	117.8897	4.490	4	120.2703	3.854	30	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<4>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|H<1>,1|N<2>,5|C<3>}	121.0680	0.000	1	118.9545	8.934	2	117.8897	4.490	4	120.2703	3.854	30	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[5,6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[5,6])	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[5,6]H){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<3>,2|C<4>,2|H<1>,2|N<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	119.4340	0.000	1	119.4340	0.000	1	119.4340	0.000	1	120.2703	3.854	30	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C)(N[6]C[6,6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C)(N[6]C[6,6]H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,3|C<3>}	119.3930	0.000	1	119.3930	0.000	1	119.1818	0.088	6	120.2703	3.854	30	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6,6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6,6]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]C)(H){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	118.9990	0.000	1	119.2990	0.091	3	119.1818	0.088	6	120.2703	3.854	30	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6,6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6,6]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]C)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,3|C<3>}	119.4490	0.216	2	119.2990	0.091	3	119.1818	0.088	6	120.2703	3.854	30	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6,6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6,6]H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,3|C<3>}	118.9890	0.000	1	118.9890	0.000	1	119.1818	0.088	6	120.2703	3.854	30	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6,6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6,6]H){1|C<2>,1|C<3>,1|H<1>,3|C<4>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,6|H<1>}	118.8120	0.000	1	118.8120	0.000	1	119.1818	0.088	6	120.2703	3.854	30	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C)(N[6]C[6]H){2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]C)(H){1|C<4>,1|O<1>,1|O<2>,4|C<3>}	118.9430	0.000	1	118.9430	0.000	1	119.4954	0.579	8	120.2703	3.854	30	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6]){2|C<3>,2|C<4>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	118.0780	0.000	1	118.0780	0.000	1	119.4954	0.579	8	120.2703	3.854	30	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,2|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H){1|O<2>,2|H<1>,3|C<3>}	120.4410	0.000	1	120.4410	0.000	1	119.4954	0.579	8	120.2703	3.854	30	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H){2|C<3>,2|H<1>,2|O<2>}	119.4990	0.000	1	119.4990	0.000	1	119.4954	0.579	8	120.2703	3.854	30	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,2|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|O<2>,2|H<1>,5|C<3>}	119.9295	0.668	2	119.7505	0.194	4	119.4954	0.579	8	120.2703	3.854	30	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]H){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,2|C<4>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	119.5715	0.081	2	119.7505	0.194	4	119.4954	0.579	8	120.2703	3.854	30	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6,6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]C)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6,6]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6]){1|C<3>,2|C<4>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]C)(H){1|C<4>,1|S<2>,2|H<1>,3|C<3>}	122.7673	0.412	6	122.7673	0.169	6	122.7673	0.169	6	120.2703	3.854	30	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]C)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(S[6]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]C)(N[6]C[6]H){1|C<2>,1|C<4>,1|F<1>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(S[6]C[6]){1|C<2>,1|C<3>,1|C<4>,1|F<1>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H){1|C<2>,1|S<2>,2|C<3>,2|H<1>}	123.0200	0.000	1	123.0200	0.000	1	122.4627	0.766	3	120.2703	3.854	30	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6]){1|C<4>,2|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|S<2>,2|H<1>,5|C<3>}	122.1840	1.032	2	122.1840	1.066	2	122.4627	0.766	3	120.2703	3.854	30	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6]-3:N[6a]-2:	C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]N[6a]O)(N[6]C[6,6]H)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6]C)(N[6a]C[6a])	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]N[6a]O)(N[6]C[6,6]H){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6]C)(N[6a]C[6a]){1|C<4>,1|O<1>,1|O<2>,2|H<1>,2|N<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H){1|C<4>,1|N<2>,1|O<1>,2|H<1>,2|N<3>,2|O<2>}	122.2910	0.000	1	122.2910	0.000	1	121.0350	3.155	2	120.2703	3.854	30	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6]-3:N[6a]-2:	C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]N[6a]O)(N[6]C[6,6]H)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6]H)(N[6a]C[6a])	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]N[6a]O)(N[6]C[6,6]H){1|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6]H)(N[6a]C[6a]){1|C<4>,1|O<1>,1|O<2>,2|H<1>,2|N<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H){1|C<4>,1|N<2>,1|O<1>,2|H<1>,2|N<3>,2|O<2>}	119.7790	0.000	1	119.7790	0.000	1	121.0350	3.155	2	120.2703	3.854	30	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:4:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCO)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,2|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCO){1|O<2>,2|C<3>,3|H<1>}	117.7410	0.000	1	117.7410	0.000	1	118.0716	0.218	5	118.3904	0.610	11	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:4:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCO)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]C){1|Br<1>,1|C<3>,1|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,2|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCO){1|O<2>,2|C<3>,3|H<1>}	118.4000	0.000	1	118.4000	0.000	1	118.0716	0.218	5	118.3904	0.610	11	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:4:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<2>,1|C<4>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]O){1|C<2>,1|O<2>,2|C<3>,2|H<1>}	118.5760	0.000	1	118.5760	0.000	1	118.0716	0.218	5	118.3904	0.610	11	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:4:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(COO)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,2|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(COO){1|O<2>,2|C<3>,3|H<1>}	117.8205	0.525	2	117.8205	0.276	2	118.0716	0.218	5	118.3904	0.610	11	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:4:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:C[6]-3:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]2)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]Cl)(O[6]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]2){1|Cl<1>,1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]Cl)(O[6]C[6]){1|C<4>,2|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(C[6]C[6]O){1|O<2>,2|C<3>,2|C<4>,7|H<1>}	117.6680	0.000	1	117.6680	0.000	1	117.6680	0.000	1	118.3904	0.610	11	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:4:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CCO)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6]){1|C<4>,2|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CCO){1|S<2>,3|H<1>,4|C<3>}	119.5745	0.395	2	119.5745	0.156	2	119.5745	0.156	2	118.3904	0.610	11	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:4:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6]-3:N[6a]-2:	C[6,6a]-3:C[6,6]-4:C-3:	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]N[6a]O)(N[6]C[6,6]C)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6]H)(N[6a]C[6a])	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CCO)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]N[6a]O)(N[6]C[6,6]C){1|C<3>,2|H<1>,3|C<4>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6]H)(N[6a]C[6a]){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|O<2>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CCO){1|C<4>,1|N<2>,1|O<1>,2|H<1>,2|N<3>,2|O<2>}	118.8045	0.337	2	118.8045	0.114	2	118.8045	0.114	2	118.3904	0.610	11	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:4:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6a]C[6])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<4>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2){1|N<2>,3|H<1>,7|C<3>}	117.5100	0.000	1	117.5100	0.000	1	117.5100	0.000	1	118.3904	0.610	11	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6,6]-4:S-4:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6]S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6]S){1|C<3>,2|H<1>,3|C<4>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6]){1|C<3>,1|S<4>,2|C<4>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(SC[6a]OO){1|N<2>,2|C<3>,2|C<4>,4|H<1>}	119.0460	0.000	1	119.0460	0.000	1	119.0460	0.000	1	119.0059	1.981	18	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CH3)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C){1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){2|C<3>,2|C<4>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CH3){1|H<1>,1|N<2>,3|C<3>}	117.5195	0.610	4	117.5195	0.372	4	117.5195	0.372	4	119.0059	1.981	18	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]2)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]2)(N[6]C[6]C){1|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6]){2|C<3>,2|C<4>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH){1|O<2>,2|H<1>,3|C<3>}	120.9290	0.000	1	120.9290	0.000	1	119.6400	0.848	6	119.0059	1.981	18	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]C){2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	118.3980	0.000	1	118.3980	0.000	1	119.6400	0.848	6	119.0059	1.981	18	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]HH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]HH){2|H<1>,2|O<2>,4|C<3>}	120.1070	0.180	2	119.6283	0.345	4	119.6400	0.848	6	119.0059	1.981	18	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]HH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]C){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6]){2|C<3>,2|C<4>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]HH){1|H<1>,1|O<2>,5|C<3>}	119.1495	0.295	2	119.6283	0.345	4	119.6400	0.848	6	119.0059	1.981	18	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|S<4>,2|C<4>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(SC[6a]OO){1|O<2>,2|C<3>,3|H<1>}	118.6540	0.000	1	118.0755	0.669	2	118.5948	0.583	4	119.0059	1.981	18	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(SC[6a]OO){1|H<1>,1|O<2>,4|C<3>}	117.4970	0.000	1	118.0755	0.669	2	118.5948	0.583	4	119.0059	1.981	18	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,1|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|S<4>,2|C<4>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	119.1340	0.000	1	119.1140	0.001	2	118.5948	0.583	4	119.0059	1.981	18	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,1|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO){1|O<2>,2|H<1>,3|C<3>}	119.0940	0.000	1	119.1140	0.001	2	118.5948	0.583	4	119.0059	1.981	18	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[5,6]-4:S-4:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[5,6]S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[5,6])	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[5,6]S){1|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[5,6]){1|C<3>,1|S<4>,2|C<4>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(SC[6a]OO){1|S<2>,2|C<3>,2|C<4>,4|H<1>}	122.7330	0.000	1	122.7330	0.000	1	122.7330	0.000	1	119.0059	1.981	18	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6]){1|C<3>,1|S<4>,2|C<4>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(SC[6a]OO){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	118.4020	0.000	1	118.4020	0.000	1	118.4020	0.000	1	119.0059	1.981	18	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:4:4:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]S[6])(N[6]C[6]S)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(S[6]C[6])	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(SC[6a]OO)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]S[6])(N[6]C[6]S){1|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(S[6]C[6]){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(SC[6a]OO){1|S<2>,2|H<1>,3|C<3>}	119.6280	0.000	1	119.6280	0.000	1	119.6280	0.000	1	119.0059	1.981	18	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	4:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6]-4:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6,6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6])	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6,6]H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<4>,3|C<3>,3|H<1>}	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(H){1|H<1>,1|O<2>,6|C<3>}	118.2320	0.000	1	118.2320	0.000	1	118.2320	0.000	1	118.2320	0.000	1	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:2:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-2:O-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]N[6]O)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a])(O)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]N[6]O){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|N<2>,1|O<1>,3|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a])(O){1|H<1>,4|C<3>}	118.7950	0.000	1	118.7950	0.000	1	118.9083	0.013	3	118.3507	0.751	6	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:2:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-2:O-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]N[6]O)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a])(O)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]N[6]O){1|N<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|H<1>,2|N<2>}	N[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a])(O){1|H<1>,1|N<2>,3|C<3>}	118.9650	0.086	2	118.9650	0.007	2	118.9083	0.013	3	118.3507	0.751	6	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:2:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-2:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<2>,1|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6])(H){2|H<1>,3|C<3>}	118.8960	0.000	1	118.8960	0.000	1	118.8960	0.000	1	118.3507	0.751	6	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:2:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6]-2:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]N[6]O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]N[6]O){1|C<3>,1|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|N<2>,1|O<1>,2|C<4>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	117.2415	0.199	2	117.2415	0.039	2	117.2415	0.039	2	118.3507	0.751	6	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:2:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-2:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(N[6]N[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[5,6a]H)(C[6]C[6]O)	N[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(CCHH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(N[6]N[6]C){1|H<1>,2|C<3>,2|O<2>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[5,6a]H)(C[6]C[6]O){1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(CCHH){1|H<1>,4|C<3>}	117.8595	0.392	2	117.8595	0.154	2	117.8595	0.154	2	117.8595	0.154	2	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(N[6]C[6]H)	C[6,6a](C[6,6a]C[5a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	N[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(N[6]C[6]H){4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[5a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	118.8010	0.000	1	118.8010	0.000	1	118.8010	0.000	1	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6,6a]-3:C[6,6a]-3:N[6]-3:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6,6a]C[6,6,6a]C[5,3x6])(C[6,6a]C[6a,6a]C[6])(N[6]C[6]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6,6a]N[6])(C[6]C[6]H)	N[6](C[6,6a]C[6,6,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6,6a]C[6,6,6a]C[5,3x6])(C[6,6a]C[6a,6a]C[6])(N[6]C[6]H){2|H<1>,3|C<4>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6,6a]N[6])(C[6]C[6]H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6,6a]C[6,6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	115.6320	0.000	1	115.6320	0.000	1	115.6320	0.000	1	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	N[6](C[6,6a]C[6,6a]2)(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]H){4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]2)(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	117.8025	1.527	6	117.8025	2.332	6	117.8025	2.332	6	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]H)	C[6,6a](C[5a,6]C[5a,6,6]C[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]O)	N[6](C[6,6]C[5a,6,6]C[5a,6])(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]H){2|O<2>,4|C<3>}	C[6,6a](C[5a,6]C[5a,6,6]C[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]O){1|N<3>,3|C<3>,4|H<1>}	N[6](C[6,6]C[5a,6,6]C[5a,6])(C[6,6a]C[6,6a]C[6a])(H){1|H<1>,2|N<3>,4|C<3>}	120.1670	0.000	1	120.1670	0.000	1	120.1670	0.000	1	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C)(H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|N<3>,3|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C)(H){1|H<1>,1|N<3>,3|C<3>}	119.0360	0.000	1	119.0360	0.000	1	120.2631	0.790	8	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]N)(H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]N)(H){1|H<1>,4|C<3>}	119.7910	0.000	1	120.6393	0.423	6	120.2631	0.790	8	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]N)(H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|Cl<1>,3|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]N)(H){1|H<1>,4|C<3>}	120.9950	0.500	3	120.6393	0.423	6	120.2631	0.790	8	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]N)(H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){4|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]N)(H){1|H<1>,4|C<3>}	120.5300	0.701	2	120.6393	0.423	6	120.2631	0.790	8	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]O)(H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|N<2>,1|N<3>,1|O<1>,2|H<1>}	C[6,6a](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|Cl<1>,2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]O)(H){1|H<1>,4|C<3>}	119.2330	0.000	1	119.2330	0.000	1	120.2631	0.790	8	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]O)	C[6,6a](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]H)(O)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]O){3|C<3>,3|H<1>}	C[6,6a](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]H)(O){1|H<1>,1|N<3>,3|C<3>}	120.3940	0.000	1	120.3940	0.000	1	120.3940	0.000	1	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]N[6])(C[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]N[6])(C[6]C[6]H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	117.4970	0.000	1	117.4970	0.000	1	117.4970	0.000	1	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){4|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C)(H){1|H<1>,4|C<3>}	121.8310	0.000	1	121.8310	0.000	1	119.7286	2.067	8	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a])(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|H<1>,1|N<4>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){4|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a])(H){1|H<1>,6|C<3>}	118.1260	0.000	1	118.1260	0.000	1	119.7286	2.067	8	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){4|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]H)(H){1|H<1>,4|C<3>}	119.3637	0.230	4	119.3637	0.053	4	119.7286	2.067	8	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]N[6,6a]N[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6a]O)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|N<2>,1|N<3>,1|O<1>,2|H<1>}	C[6,6a](C[6,6a]N[6,6a]N[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){3|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6a]O)(H){1|H<1>,4|C<3>}	120.2085	2.515	2	120.2085	6.326	2	119.7286	2.067	8	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]N)(N[6]C[6]O)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]H)(O)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]N)(N[6]C[6]O){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]H)(O){1|N<3>,4|C<3>}	117.3930	0.000	1	117.3930	0.000	1	117.3930	0.000	1	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[5,6]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[5,6]O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]H)(C[6a]C[6a]H)	N[6](C[5,6]C[5,6a]C[5,6])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[5,6]O){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	N[6](C[5,6]C[5,6a]C[5,6])(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,2|N<3>,4|C<3>}	117.7830	0.764	2	117.7830	0.583	2	117.7830	0.583	2	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6]N)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6]N)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H){2|C<4>,3|C<3>,3|H<1>}	119.5980	0.000	1	119.5980	0.000	1	119.1337	0.207	3	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[6,6]O)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[6,6]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6])(H){1|H<1>,2|C<4>,4|C<3>}	118.9015	0.301	2	118.9015	0.090	2	119.1337	0.207	3	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[4]C[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[4]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	117.7920	0.025	2	117.7920	0.001	2	119.3410	2.251	8	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|Cl<1>,2|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,4|C<3>}	118.9475	0.001	2	118.9243	0.002	3	119.3410	2.251	8	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){3|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,4|C<3>}	118.8780	0.000	1	118.9243	0.002	3	119.3410	2.251	8	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|S<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(H){2|H<1>,3|C<3>}	119.9605	0.016	2	120.7903	2.066	3	119.3410	2.251	8	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|S<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(H){1|H<1>,4|C<3>}	122.4500	0.000	1	120.7903	2.066	3	119.3410	2.251	8	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]O){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){2|H<1>,3|C<3>}	120.2440	0.000	1	120.2440	0.000	1	120.2440	0.000	1	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:B[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]B[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(B[6]N[6]O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]S)(H)	C[6,6a](C[6,6a]C[6a]B[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|N<3>,1|O<2>,1|S<1>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(B[6]N[6]O){3|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]S)(H){1|B<3>,1|H<1>,3|C<3>}	119.1875	0.129	2	119.1875	0.017	2	119.1875	0.017	2	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(N[6]C[6,6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(C[6]C[6,6a]S)	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(N[6]C[6,6a]H){1|H<1>,1|S<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(C[6]C[6,6a]S){1|N<3>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(H){2|H<1>,5|C<3>}	119.7750	0.054	2	119.7750	0.003	2	119.7750	0.003	2	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(N[6]C[6]H){1|N<2>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){3|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	116.8030	0.035	2	116.8030	0.001	2	118.8592	1.059	281	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]Cl)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]H){2|Cl<1>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]Cl){1|C<4>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|C<4>,1|H<1>,3|C<3>}	119.4870	0.000	1	119.4870	0.000	1	118.8592	1.059	281	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]H){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6])(H){1|C<4>,1|H<1>,5|C<3>}	118.5560	0.000	1	118.5560	0.000	1	118.8592	1.059	281	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]H){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(H){1|C<4>,1|H<1>,5|C<3>}	118.5670	0.341	2	118.5670	0.116	2	118.8592	1.059	281	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]H){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|C<4>,1|H<1>,3|C<3>}	118.2790	0.000	1	118.2790	0.000	1	118.8592	1.059	281	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]H){2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	117.3528	0.452	4	117.3528	0.204	4	118.8592	1.059	281	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]N)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]N){1|C<4>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	119.4777	0.102	3	119.4777	0.010	3	118.8592	1.059	281	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Ga)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Ga)(N[6]C[6]H){2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ga<4>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|Ga<4>,1|H<1>,3|C<3>}	116.3210	0.000	1	116.3210	0.000	1	118.8592	1.059	281	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){2|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){2|H<1>,3|C<3>}	118.1720	0.000	1	118.5431	0.206	8	118.8592	1.059	281	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){2|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){2|H<1>,3|C<3>}	118.5538	0.492	6	118.5431	0.206	8	118.8592	1.059	281	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){3|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,4|C<3>}	118.8500	0.000	1	118.5431	0.206	8	118.8592	1.059	281	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|O<2>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	119.0003	0.456	6	119.2705	1.267	26	118.8592	1.059	281	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){2|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	119.6665	2.900	4	119.2705	1.267	26	118.8592	1.059	281	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){2|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	119.2729	0.539	16	119.2705	1.267	26	118.8592	1.059	281	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){3|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(H){1|H<1>,4|C<3>}	119.1900	0.000	1	119.1900	0.000	1	118.8592	1.059	281	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){2|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){2|H<1>,3|C<3>}	119.2200	0.636	2	118.4107	0.612	31	118.8592	1.059	281	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){2|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){2|H<1>,3|C<3>}	118.3945	0.467	2	118.4107	0.612	31	118.8592	1.059	281	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){2|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){2|H<1>,3|C<3>}	118.3524	0.808	26	118.4107	0.612	31	118.8592	1.059	281	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){3|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,4|C<3>}	118.3410	0.000	1	118.4107	0.612	31	118.8592	1.059	281	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	119.7480	0.000	1	118.1328	0.433	32	118.8592	1.059	281	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|O<2>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	117.8070	0.000	1	118.1328	0.433	32	118.8592	1.059	281	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){2|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	118.0898	0.606	30	118.1328	0.433	32	118.8592	1.059	281	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){2|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(H){2|H<1>,3|C<3>}	118.3190	0.134	2	118.3190	0.018	2	118.8592	1.059	281	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){3|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H){1|H<1>,4|C<3>}	118.7190	0.000	1	118.7190	0.000	1	118.8592	1.059	281	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|O<2>,1|S<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){3|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(H){1|H<1>,4|C<3>}	118.5950	0.000	1	118.7555	0.033	8	118.8592	1.059	281	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|S<1>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){2|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(H){2|H<1>,3|C<3>}	118.7784	0.183	7	118.7555	0.033	8	118.8592	1.059	281	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){2|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(H){1|N<2>,2|H<1>,4|C<3>}	117.2845	0.141	2	117.2845	0.020	2	118.8592	1.059	281	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]N)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]N){2|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){2|H<1>,3|C<3>}	119.4353	0.290	3	120.0923	1.586	6	118.8592	1.059	281	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]N)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]N){2|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){2|H<1>,3|C<3>}	119.8210	0.055	2	120.0923	1.586	6	118.8592	1.059	281	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]N)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]N){3|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,4|C<3>}	122.6060	0.000	1	120.0923	1.586	6	118.8592	1.059	281	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]N)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|Cl<1>,1|N<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]N){2|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	119.7680	0.062	2	119.9618	0.097	11	118.8592	1.059	281	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]N)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]N){2|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	119.9783	0.369	7	119.9618	0.097	11	118.8592	1.059	281	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]N)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]N){2|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	120.0980	0.198	2	119.9618	0.097	11	118.8592	1.059	281	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O){2|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){2|H<1>,3|C<3>}	118.2380	0.000	1	118.8733	0.306	3	118.8592	1.059	281	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O){2|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){2|H<1>,3|C<3>}	119.1910	0.076	2	118.8733	0.306	3	118.8592	1.059	281	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O){2|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	118.3380	0.223	2	118.3380	0.050	2	118.8592	1.059	281	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]S)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|S<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]S){1|S<2>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|S<2>,3|C<3>}	118.8775	0.296	2	118.8775	0.088	2	118.8592	1.059	281	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]S)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,1|S<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]S){3|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(H){1|H<1>,4|C<3>}	119.4080	0.008	2	119.4080	0.000	2	118.8592	1.059	281	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]C){3|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H){1|H<1>,4|C<3>}	119.4410	0.178	3	119.4410	0.032	3	118.8592	1.059	281	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]N)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|N<2>,1|N<3>,1|O<2>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]N){1|O<2>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|H<1>,3|C<3>}	118.7238	0.483	9	118.6942	0.191	11	118.8592	1.059	281	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]N)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|O<2>,2|H<1>,2|N<2>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]N){1|O<2>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|H<1>,3|C<3>}	118.5690	0.000	1	118.6942	0.191	11	118.8592	1.059	281	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]N)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,2|N<2>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]N){2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|H<1>,3|C<3>}	118.5530	0.000	1	118.6942	0.191	11	118.8592	1.059	281	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]N)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]N)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|N<2>,2|H<1>,2|N<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]N){2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]N)(H){1|H<1>,3|C<3>}	118.3810	0.000	1	118.3810	0.000	1	118.8592	1.059	281	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){1|N<3>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(H){1|H<1>,1|N<3>,3|C<3>}	118.3020	0.000	1	118.3020	0.000	1	118.8592	1.059	281	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	122.2060	0.000	1	119.0983	7.347	3	118.8592	1.059	281	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){1|Ni<6>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|Ni<6>,1|H<1>,3|C<3>}	117.2220	0.000	1	119.0983	7.347	3	118.8592	1.059	281	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){2|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){2|H<1>,3|C<3>}	117.8670	0.000	1	119.0983	7.347	3	118.8592	1.059	281	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]N)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|N<2>,1|N<3>,1|O<1>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]N)(H){1|C<4>,1|H<1>,3|C<3>}	119.1300	0.000	1	119.1300	0.000	1	118.8592	1.059	281	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]S)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|N<3>,1|O<1>,1|S<1>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]S)(H){1|C<4>,1|H<1>,3|C<3>}	118.6770	0.006	2	118.7153	0.057	7	118.8592	1.059	281	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]S)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|N<3>,1|O<1>,1|S<1>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]S)(H){1|H<1>,4|C<3>}	118.9190	0.000	1	118.7153	0.057	7	118.8592	1.059	281	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]S)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|N<3>,1|O<1>,1|S<1>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]S)(H){1|C<4>,1|H<1>,3|C<3>}	118.7495	0.230	2	118.7153	0.057	7	118.8592	1.059	281	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]S)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|N<3>,1|O<1>,1|S<1>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){2|C<3>,2|C<4>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]S)(H){1|C<4>,1|H<1>,3|C<3>}	118.2830	0.000	1	118.7153	0.057	7	118.8592	1.059	281	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]S)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|N<3>,1|O<1>,1|S<1>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){3|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]S)(H){1|H<1>,4|C<3>}	118.9520	0.000	1	118.7153	0.057	7	118.8592	1.059	281	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]S)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]S)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|H<1>,2|N<3>,2|S<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]S){2|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]S)(H){2|H<1>,3|C<3>}	118.1570	0.000	1	118.7540	0.713	2	118.8592	1.059	281	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]S)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]S)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|H<1>,2|N<3>,2|S<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]S){3|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]S)(H){1|H<1>,4|C<3>}	119.3510	0.000	1	118.7540	0.713	2	118.8592	1.059	281	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]S[6]S)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]S)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|H<1>,1|N<3>,1|S<2>,2|S<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]S[6]S){2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]S)(H){1|H<1>,3|C<3>}	123.0270	0.000	1	123.0270	0.000	1	118.8592	1.059	281	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]N)(C[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]N)(C[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	117.9987	0.201	3	118.0108	0.027	4	118.8592	1.059	281	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]N)(C[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]N)(C[6]C[6]H){2|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	118.0470	0.000	1	118.0108	0.027	4	118.8592	1.059	281	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]N[6a]H)(C[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]N[6a]H)(C[6]C[6]H){2|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(H){1|N<2>,2|H<1>,4|C<3>}	118.6800	0.000	1	118.6800	0.000	1	118.8592	1.059	281	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]I)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]I)(N[6]C[6]H){2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|I<1>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|I<1>,3|C<3>}	117.4125	0.247	2	117.4125	0.061	2	118.8592	1.059	281	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]H){2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<2>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,3|C<3>}	117.7220	0.000	1	117.8988	0.191	10	118.8592	1.059	281	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]H){2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	117.8886	0.481	8	117.8988	0.191	10	118.8592	1.059	281	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]H){2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<4>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<4>,3|C<3>}	118.1570	0.000	1	117.8988	0.191	10	118.8592	1.059	281	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N[5])(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N[5])(N[6]C[6]H){4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	118.3860	0.000	1	118.3860	0.000	1	118.8592	1.059	281	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N[6])(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N[6])(N[6]C[6]H){1|S<4>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	122.3750	0.358	2	122.3750	0.128	2	118.8592	1.059	281	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(C[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(C[6]C[6]H){1|O<2>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|O<2>,3|C<3>}	119.3760	0.365	3	119.1264	0.195	5	118.8592	1.059	281	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(C[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(C[6]C[6]H){1|O<2>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|O<2>,3|C<3>}	118.7520	0.216	2	119.1264	0.195	5	118.8592	1.059	281	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]Cl)(C[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H){1|Cl<1>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]Cl)(C[6]C[6]H){1|O<2>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|O<2>,3|C<3>}	119.0987	0.257	3	119.0987	0.066	3	118.8592	1.059	281	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|O<2>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,1|O<2>,3|C<3>}	119.3125	0.313	19	119.3054	0.094	24	118.8592	1.059	281	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|O<2>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,1|O<2>,3|C<3>}	119.6075	0.011	2	119.3054	0.094	24	118.8592	1.059	281	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|O<2>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,1|O<2>,3|C<3>}	119.0593	0.110	3	119.3054	0.094	24	118.8592	1.059	281	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H){2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|O<2>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|O<2>,3|C<3>}	119.2778	0.794	40	119.2808	0.615	41	118.8592	1.059	281	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|O<2>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|O<2>,3|C<3>}	119.4000	0.000	1	119.2808	0.615	41	118.8592	1.059	281	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H){1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<2>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,1|O<2>,3|C<3>}	119.5510	0.000	1	119.5510	0.000	1	118.8592	1.059	281	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H){1|C<4>,2|O<2>,3|C<3>}	121.8040	0.000	1	121.8040	0.000	1	118.8592	1.059	281	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]S)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H){1|C<3>,1|N<3>,1|O<1>,1|S<1>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]S)(H){1|C<4>,1|O<2>,3|C<3>}	119.1280	0.000	1	119.1280	0.000	1	118.8592	1.059	281	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]N)(C[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]N)(C[6]C[6]H){1|O<2>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|O<2>,3|C<3>}	116.3360	0.000	1	116.3360	0.000	1	118.8592	1.059	281	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]S)(C[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H){1|I<1>,1|S<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]S)(C[6]C[6]H){1|O<2>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|O<2>,3|C<3>}	119.5780	0.000	1	119.4080	0.058	2	118.8592	1.059	281	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]S)(C[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H){1|N<3>,1|S<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]S)(C[6]C[6]H){1|O<2>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|O<2>,3|C<3>}	119.2380	0.000	1	119.4080	0.058	2	118.8592	1.059	281	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(N[6]C[6]O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(N[6]C[6]O){4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|O<1>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|H<1>,4|C<3>}	117.6965	0.074	2	117.6965	0.006	2	118.9744	0.871	35	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]O){2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|O<1>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|H<1>,4|C<3>}	119.4110	0.311	2	119.4110	0.097	2	118.9744	0.871	35	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3x6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]O){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|O<1>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3x6]C[6])(O){2|H<1>,3|C<3>,3|C<4>}	121.0410	0.000	1	121.0410	0.000	1	118.9744	0.871	35	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]O){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|O<1>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){2|H<1>,3|C<3>}	118.8660	0.000	1	119.4820	0.759	2	118.9744	0.871	35	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]O){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|O<1>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){2|H<1>,3|C<3>}	120.0980	0.000	1	119.4820	0.759	2	118.9744	0.871	35	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]O){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|O<1>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6])(O){1|N<2>,1|O<2>,2|H<1>,3|C<3>}	119.7825	0.392	2	119.7825	0.154	2	118.9744	0.871	35	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]O){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|O<1>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){2|H<1>,3|C<3>}	118.4880	0.000	1	118.4880	0.000	1	118.9744	0.871	35	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]O){2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|C<4>,1|H<1>,3|C<3>}	117.7890	0.000	1	118.7724	0.341	12	118.9744	0.871	35	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]O){2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){2|H<1>,3|C<3>}	118.9023	0.514	3	118.7724	0.341	12	118.9744	0.871	35	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]O){2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|O<1>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){2|H<1>,3|C<3>}	118.7244	0.469	7	118.7724	0.341	12	118.9744	0.871	35	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]O){2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|O<1>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){2|H<1>,3|C<3>}	119.7020	0.000	1	118.7724	0.341	12	118.9744	0.871	35	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]O){1|N<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O){1|C<4>,1|H<1>,3|C<3>}	118.7310	0.000	1	119.0555	0.211	2	118.9744	0.871	35	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]O){1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cl<1>,1|O<1>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O){2|H<1>,3|C<3>}	119.3800	0.000	1	119.0555	0.211	2	118.9744	0.871	35	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]O){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|O<1>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(O){2|H<1>,5|C<3>}	119.5715	0.144	2	119.5715	0.021	2	118.9744	0.871	35	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]N)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]O){1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]N){1|O<1>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){2|H<1>,3|C<3>}	120.2395	0.066	2	120.2395	0.004	2	118.9744	0.871	35	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]S)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]O){1|Cl<1>,1|S<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]S){1|O<1>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){2|H<1>,3|C<3>}	120.1080	0.000	1	120.1080	0.000	1	118.9744	0.871	35	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]I)(N[6]C[6]O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]I)(N[6]C[6]O){2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|I<1>,1|O<1>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|H<1>,1|I<1>,3|C<3>}	117.1890	0.000	1	117.1890	0.000	1	118.9744	0.871	35	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]O){2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|H<1>,1|N<3>,3|C<3>}	118.0330	0.000	1	118.2403	1.472	3	118.9744	0.871	35	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]O){2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|H<1>,1|N<3>,3|C<3>}	118.3440	1.697	2	118.2403	1.472	3	118.9744	0.871	35	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]O){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(O){1|H<1>,1|N<3>,5|C<3>}	117.8910	0.000	1	117.8910	0.000	1	118.9744	0.871	35	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]O){2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|H<1>,1|O<2>,3|C<3>}	118.9200	0.000	1	118.9200	0.000	1	118.9744	0.871	35	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(N[6]C[6,6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(N[6]C[6,6a]C)	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(N[6]C[6,6a]H){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(N[6]C[6,6a]C){2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(H){1|H<1>,2|N<3>,4|C<3>}	118.2440	0.000	1	118.2440	0.000	1	118.2021	0.021	7	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(N[6]C[6,6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(N[6]C[6,6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(N[6]C[6,6a]H){1|N<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(N[6]C[6,6a]H){1|N<2>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(H){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	118.0880	0.000	1	118.0880	0.000	1	118.2021	0.021	7	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(N[6]C[6,6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(N[6]C[6,6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(N[6]C[6,6a]H){2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(N[6]C[6,6a]H){2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(H){1|N<3>,2|H<1>,4|C<3>}	118.2166	0.167	5	118.2166	0.028	5	118.2021	0.021	7	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C){2|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(H){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	119.2520	0.000	1	119.2520	0.000	1	118.5277	0.346	21	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C){1|O<1>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	118.9317	0.166	4	118.9317	0.028	4	118.5277	0.346	21	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,2|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	118.3020	0.000	1	118.6494	0.368	8	118.5277	0.346	21	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C){1|O<2>,2|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	118.6960	0.000	1	118.6494	0.368	8	118.5277	0.346	21	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C){3|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H){1|N<3>,2|H<1>,3|C<3>}	118.2320	0.126	2	118.6494	0.368	8	118.5277	0.346	21	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C){2|C<3>,5|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H){1|N<3>,2|C<3>,3|H<1>}	119.5785	0.260	2	118.6494	0.368	8	118.5277	0.346	21	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H){1|Cl<1>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C){3|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H){1|N<3>,2|H<1>,3|C<3>}	118.2880	0.175	2	118.6494	0.368	8	118.5277	0.346	21	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	117.2730	0.000	1	117.9433	0.403	3	118.5277	0.346	21	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H){1|O<1>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	118.5360	0.000	1	117.9433	0.403	3	118.5277	0.346	21	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H){3|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,1|N<3>,3|C<3>}	118.0210	0.000	1	117.9433	0.403	3	118.5277	0.346	21	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<2>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	118.6770	0.000	1	118.6770	0.000	1	118.5277	0.346	21	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H){3|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H){1|N<3>,2|H<1>,3|C<3>}	118.1220	0.000	1	118.2865	0.054	2	118.5277	0.346	21	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H){1|O<1>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H){3|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H){1|H<1>,1|N<3>,3|C<3>}	118.4510	0.000	1	118.2865	0.054	2	118.5277	0.346	21	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]Li)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H){1|Li<5>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]Li){3|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H){1|H<1>,1|N<3>,3|C<3>}	117.9140	0.430	2	117.9140	0.185	2	118.5277	0.346	21	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6])(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]O){1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]O){1|O<1>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6])(O){1|H<1>,3|C<3>,3|N<3>}	120.1290	0.141	2	120.1290	0.020	2	119.8065	0.184	12	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	118.7270	0.000	1	119.6820	0.471	4	119.8065	0.184	12	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	120.2970	0.000	1	119.6820	0.471	4	119.8065	0.184	12	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	119.8520	0.255	2	119.6820	0.471	4	119.8065	0.184	12	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]O){1|O<1>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]O){1|O<1>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|N<3>,2|C<3>,2|H<1>}	119.6848	0.192	4	119.6848	0.037	4	119.8065	0.184	12	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]O){1|O<1>,1|S<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]O){1|O<1>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(O){1|H<1>,1|N<3>,3|C<3>}	119.7650	0.000	1	119.7650	0.000	1	119.8065	0.184	12	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]O){1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]O){1|O<1>,1|S<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(O){1|H<1>,1|N<3>,1|S<4>,4|C<3>}	120.1880	0.000	1	120.1880	0.000	1	119.8065	0.184	12	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:S[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6]O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6]O){3|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,1|S<3>,3|C<3>}	121.2270	0.287	2	121.2270	0.082	2	120.7422	0.266	5	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:S[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]N[6]O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]N[6])(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]N[6]O){2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]N[6])(H){1|H<1>,1|S<2>,1|S<3>,3|C<3>}	120.3780	0.000	1	120.3780	0.000	1	120.7422	0.266	5	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:S[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]N[6]O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]N[6]O){2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(H){1|H<1>,1|S<3>,4|C<3>}	120.7520	0.000	1	120.4395	0.195	2	120.7422	0.266	5	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:S[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]N[6]O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]N[6]O){2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(H){1|H<1>,1|S<3>,4|C<3>}	120.1270	0.000	1	120.4395	0.195	2	120.7422	0.266	5	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]C)(N[6]C[6,6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a,6a]C)	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]C)(N[6]C[6,6a]H){1|C<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a,6a]C){1|C<2>,1|H<1>,6|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(H){1|C<2>,1|F<1>,1|N<3>,4|C<3>}	119.0020	0.000	1	119.0020	0.000	1	119.0020	0.000	1	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){3|C<3>,3|H<1>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6]C[6]H){1|N<2>,3|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	119.0420	0.000	1	119.0420	0.000	1	119.5397	0.674	4	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]N[6])(C[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<2>,2|C<3>,3|H<1>}	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]N[6])(C[6]C[6]H){3|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	119.7057	0.919	3	119.7057	0.845	3	119.5397	0.674	4	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]N)(H)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|H<1>,1|N<2>,1|O<2>,3|C<3>}	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){4|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]N)(H){1|H<1>,1|N<3>,3|C<3>}	119.1520	0.000	1	119.1520	0.000	1	120.6080	1.606	3	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](N[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]O)(H)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|O<1>,2|H<1>,3|C<3>}	C[6,6a](N[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]O)(H){1|H<1>,1|N<3>,3|C<3>}	121.3360	0.177	2	121.3360	0.031	2	120.6080	1.606	3	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]N[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](N[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(H)	C[6,6a](C[6,6a]N[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|Br<1>,1|H<1>,1|O<1>,3|C<3>}	C[6,6a](N[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|N<4>,3|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(H){1|H<1>,1|N<3>,3|C<3>}	121.3800	0.000	1	121.3800	0.000	1	121.3800	0.000	1	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[5a,6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5a,6]C[5a])(C[6a]C[6a]H)	N[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[5a,6]H)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5a,6]C[5a])(C[6a]C[6a]H){2|N<3>,3|C<3>,3|H<1>}	N[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(H){1|N<3>,2|H<1>,4|C<3>}	119.7310	0.000	1	119.7310	0.000	1	121.0270	3.359	2	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[5a,6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5a,6]O)(C[6a]C[6a]H)	N[6](C[5a,6]C[5a,6a]N[5a,6])(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[5a,6]H)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5a,6]O)(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>}	N[6](C[5a,6]C[5a,6a]N[5a,6])(C[6,6a]C[6,6a]C[6a])(H){1|H<1>,1|N<3>,5|C<3>}	122.3230	0.000	1	122.3230	0.000	1	121.0270	3.359	2	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(H){2|H<1>,5|C<3>}	119.3620	0.173	2	119.3620	0.030	2	119.9002	0.936	154	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]Cl)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){1|Cl<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]Cl)(C[6a]C[6a]H){3|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])2(H){1|H<1>,1|O<2>,5|C<3>}	118.3550	0.000	1	118.2270	0.097	3	119.9002	0.936	154	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]Cl)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){2|Cl<1>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]Cl)(C[6a]C[6a]H){1|N<2>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])2(H){1|N<2>,2|H<1>,4|C<3>}	118.1630	0.412	2	118.2270	0.097	3	119.9002	0.936	154	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]H)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]H)(C[6a]C[6a]H){3|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])2(H){2|H<1>,5|C<3>}	117.5243	0.339	3	119.1347	0.615	58	119.9002	0.936	154	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]H)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){1|Ru<6>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]H)(C[6a]C[6a]H){2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(H){2|H<1>,5|C<3>}	119.2720	0.000	1	119.1347	0.615	58	119.9002	0.936	154	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]H)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]H)(C[6a]C[6a]H){3|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])2(H){2|H<1>,5|C<3>}	119.2216	0.708	54	119.1347	0.615	58	119.9002	0.936	154	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]N)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]N)(C[6a]C[6a]H){3|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])2(H){2|H<1>,5|C<3>}	120.9165	0.327	2	120.4869	0.384	85	119.9002	0.936	154	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]N)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]N)(C[6a]C[6a]H){3|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])2(H){2|H<1>,5|C<3>}	120.5087	0.512	8	120.4869	0.384	85	119.9002	0.936	154	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]N)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]N)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(H){2|H<1>,5|C<3>}	120.1160	0.000	1	120.4869	0.384	85	119.9002	0.936	154	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]N)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]N)(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(H){2|H<1>,5|C<3>}	120.9555	1.341	2	120.4869	0.384	85	119.9002	0.936	154	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]N)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]N)(C[6a]C[6a]H){3|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])2(H){2|H<1>,5|C<3>}	120.4646	0.622	72	120.4869	0.384	85	119.9002	0.936	154	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]N)(C[6a]C[6a]Rh)	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){1|Rh<8>,1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]N)(C[6a]C[6a]Rh){3|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])2(H){2|H<1>,5|C<3>}	119.2130	0.000	1	119.2130	0.000	1	119.9002	0.936	154	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]S)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){1|S<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]S)(C[6a]C[6a]H){1|Cl<1>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(H){2|H<1>,5|C<3>}	120.9665	0.312	2	120.1620	0.896	4	119.9002	0.936	154	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]S)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){1|S<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]S)(C[6a]C[6a]H){3|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])2(H){2|H<1>,5|C<3>}	119.3575	0.033	2	120.1620	0.896	4	119.9002	0.936	154	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]Cl)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]O){1|Cl<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]Cl)(C[6a]C[6a]H){1|H<1>,2|O<2>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(H){1|H<1>,1|O<2>,5|C<3>}	120.1730	0.000	1	120.1730	0.000	1	119.9002	0.936	154	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|O<1>,2|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	119.8700	0.291	2	120.0355	0.067	4	119.8504	0.078	10	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]O)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|O<1>,2|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	120.2010	0.076	2	120.0355	0.067	4	119.8504	0.078	10	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]Cl)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]O)(C[6a]C[6a]H){1|Cl<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]Cl)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	119.7375	0.302	4	119.7375	0.091	4	119.8504	0.078	10	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]H)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]O)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]H)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	119.7060	0.034	2	119.7060	0.001	2	119.8504	0.078	10	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]H)(C[6a]C[6a]F)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]F)	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]H)(C[6a]C[6a]F){2|F<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]F){1|H<1>,2|F<1>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(H){1|C<2>,1|F<1>,1|N<3>,4|C<3>}	119.5490	0.000	1	119.5490	0.000	1	118.8726	0.341	7	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){3|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])2(H){1|N<3>,2|H<1>,4|C<3>}	118.7598	0.550	6	118.7598	0.302	6	118.8726	0.341	7	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[5a,6a]C[6])(N[6]C[6]H)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a,6a]N[6])(C[6]C[6]H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[5a,6a]C[6])(N[6]C[6]H){1|N<2>,2|H<1>,4|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a,6a]N[6])(C[6]C[6]H){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,3|C<3>}	118.2920	0.351	2	118.2680	0.063	3	118.2680	0.063	3	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[5a,6a]C[6])(N[6]C[6]H)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a,6a]N[6])(C[6]C[6]H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[5a,6a]C[6])(N[6]C[6]H){1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a,6a]N[6])(C[6]C[6]H){2|N<2>,3|C<3>,3|H<1>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,3|C<3>}	118.2200	0.000	1	118.2680	0.063	3	118.2680	0.063	3	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[5,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[5,6a]C[6])(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[5,6a]C[5,6a]N[5])(C[6]C[6]H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[5,6a]C[6])(N[6]C[6]H){1|N<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[5,6a]C[5,6a]N[5])(C[6]C[6]H){1|N<2>,1|N<3>,1|S<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,3|C<3>}	117.7810	0.000	1	117.9957	0.201	3	117.9957	0.201	3	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[5,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[5,6a]C[6])(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[5,6a]C[5,6a]N[5])(C[6]C[6]H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[5,6a]C[6])(N[6]C[6]H){1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[5,6a]C[5,6a]N[5])(C[6]C[6]H){1|N<2>,1|N<3>,3|C<3>,3|H<1>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,3|C<3>}	117.6950	0.000	1	117.9957	0.201	3	117.9957	0.201	3	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[5,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[5,6a]C[6])(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[5,6a]C[5,6a]N[5])(C[6]C[6]H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[5,6a]C[6])(N[6]C[6]H){1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[5,6a]C[5,6a]N[5])(C[6]C[6]H){1|S<4>,2|C<3>,2|N<2>,3|H<1>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,3|C<3>}	118.5110	0.000	1	117.9957	0.201	3	117.9957	0.201	3	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]H){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,3|C<3>}	119.7240	0.223	2	119.7240	0.050	2	119.7240	0.050	2	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[5,6a,6a]C[6a,6a])(C[6,6a]C[6a]C[6])(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[5,6a]H)(C[6]C[6]H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[5,6a,6a]C[6a,6a])(C[6,6a]C[6a]C[6])(N[6]C[6]H){1|N<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[5,6a]H)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	118.7210	0.000	1	118.7210	0.000	1	119.0292	1.034	113	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]H){1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){3|C<3>,3|H<1>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	116.8455	0.426	2	117.4671	0.634	11	119.0292	1.034	113	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]H){3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){3|C<3>,3|H<1>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	116.3610	0.000	1	117.4671	0.634	11	119.0292	1.034	113	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]H){4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){3|C<3>,3|H<1>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	117.7608	0.704	8	117.4671	0.634	11	119.0292	1.034	113	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]Os)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]H){1|Os<7>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){3|C<3>,3|H<1>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]Os)(H){1|H<1>,4|C<3>}	118.6360	0.525	2	118.6360	0.275	2	119.0292	1.034	113	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]H){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|N<2>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,3|C<3>}	118.5710	0.000	1	118.5710	0.000	1	119.0292	1.034	113	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]C)(H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<2>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]C)(H){1|H<1>,1|N<2>,3|C<3>}	119.7452	0.646	11	119.7452	0.417	11	119.0292	1.034	113	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]H){3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<2>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,3|C<3>}	119.0669	0.879	77	119.0747	0.758	79	119.0292	1.034	113	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]H){3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){2|C<3>,2|H<1>,2|N<2>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,3|C<3>}	119.0540	0.000	1	119.0747	0.758	79	119.0292	1.034	113	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]H){4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	119.6920	0.000	1	119.0747	0.758	79	119.0292	1.034	113	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]Ir)(H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]H){1|Ir<6>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<2>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]Ir)(H){1|H<1>,1|N<2>,3|C<3>}	119.5765	0.466	2	119.5765	0.217	2	119.0292	1.034	113	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6])(H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]H){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<2>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6])(H){1|H<1>,1|N<2>,5|C<3>}	120.2908	0.983	5	120.2908	0.966	5	119.0292	1.034	113	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]O)(C[6]C[6]H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]H){1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]O)(C[6]C[6]H){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,3|C<3>}	118.8950	0.000	1	118.8950	0.000	1	119.0292	1.034	113	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6a,6a]C[6a,6a]2)(C[6,6a]C[6a]C[6])(N[6]C[6]O)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6])(O)	C[6,6a](C[6a,6a]C[6a,6a]2)(C[6,6a]C[6a]C[6])(N[6]C[6]O){2|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|O<1>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6])(O){1|H<1>,1|N<2>,5|C<3>}	117.3820	0.000	1	117.3820	0.000	1	117.3820	0.000	1	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a,6a]C[6])(N[6]C[6]H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a,6a]N[6])(C[6]C[6]H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a,6a]C[6])(N[6]C[6]H){1|N<2>,2|H<1>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a,6a]N[6])(C[6]C[6]H){2|C<3>,2|H<1>,3|N<2>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,3|C<3>}	118.8480	0.000	1	119.0723	0.064	3	119.0723	0.064	3	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a,6a]C[6])(N[6]C[6]H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a,6a]N[6])(C[6]C[6]H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a,6a]C[6])(N[6]C[6]H){1|N<2>,2|H<1>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a,6a]N[6])(C[6]C[6]H){2|H<1>,2|N<2>,3|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,3|C<3>}	119.1845	0.227	2	119.0723	0.064	3	119.0723	0.064	3	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6a]C[6a,6a]C[6a])(C[6,6a]C[6a]N[6])(N[6]C[6,6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(N[6]C[6,6a]C)	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6a]C[6a,6a]C[6a])(C[6,6a]C[6a]N[6])(N[6]C[6,6a]H){1|C<4>,1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(N[6]C[6,6a]C){1|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(H){2|N<3>,5|C<3>}	117.9370	0.000	1	117.9370	0.000	1	118.2503	0.131	3	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6a]C[6a,6a]N[6])(C[6,6a]C[6a]N[6])(N[6]C[6,6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(N[6]C[6,6a]C)	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6a]C[6a,6a]N[6])(C[6,6a]C[6a]N[6])(N[6]C[6,6a]H){1|C<4>,1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(N[6]C[6,6a]C){1|H<1>,1|N<3>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(H){1|H<1>,2|N<3>,4|C<3>}	118.1680	0.000	1	118.4070	0.114	2	118.2503	0.131	3	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6a]C[6a,6a]N[6])(C[6,6a]C[6a]N[6])(N[6]C[6,6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(N[6]C[6,6a]C)	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6a]C[6a,6a]N[6])(C[6,6a]C[6a]N[6])(N[6]C[6,6a]H){1|C<4>,1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(N[6]C[6,6a]C){1|H<1>,1|N<3>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(H){2|N<3>,5|C<3>}	118.6460	0.000	1	118.4070	0.114	2	118.2503	0.131	3	119.1764	1.241	717	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-2:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]O)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	N[6](C[6,6a]C[6,6a]2)(C[6]C[6]H)(OPt)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]O){1|Pt<6>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]2)(C[6]C[6]H)(OPt){1|H<1>,1|N<3>,3|C<3>}	116.3550	0.000	1	116.3550	0.000	1	116.3550	0.000	1	118.5452	2.263	8	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:N-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]N)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]N){2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<2>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NC){2|H<1>,3|C<3>}	117.6150	0.000	1	117.6150	0.000	1	117.6150	0.000	1	118.5452	2.263	8	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]N)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OB)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]O){1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]N){1|O<2>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OB){2|H<1>,3|C<3>}	118.0810	0.000	1	118.0810	0.000	1	118.4155	1.148	4	118.5452	2.263	8	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Ir)(N[6]C[6]O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OIr)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Ir)(N[6]C[6]O){2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ir<8>,1|O<2>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OIr){1|H<1>,3|C<3>}	120.0090	0.000	1	120.0090	0.000	1	118.4155	1.148	4	118.5452	2.263	8	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OCo)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]O){2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){2|C<3>,2|H<1>,2|O<2>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OCo){1|H<1>,1|O<2>,3|C<3>}	117.7610	0.000	1	117.7610	0.000	1	118.4155	1.148	4	118.5452	2.263	8	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Pd)(N[6]C[6]O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OPd)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Pd)(N[6]C[6]O){2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Pd<4>,1|O<2>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OPd){1|H<1>,3|C<3>}	117.8110	0.000	1	117.8110	0.000	1	118.4155	1.148	4	118.5452	2.263	8	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:S[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-2:	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(S[6]C[6,6a]O)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(CC)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(S[6]C[6,6a]O)(C[6a]C[6a]H){1|C<2>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(CC){1|S<3>,2|H<1>,4|C<3>}	120.3650	0.202	2	120.3650	0.041	2	120.3650	0.041	2	118.5452	2.263	8	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:C-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	119.9490	0.449	4	119.9490	0.202	4	119.9490	0.202	4	119.2586	1.721	85	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:S[6]-3:	C[6,6a]-3:C[6]-3:C-3:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6]O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(COO)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6]O){3|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(COO){1|S<3>,2|C<3>,3|H<1>}	120.7240	0.000	1	120.7240	0.000	1	120.7240	0.000	1	119.2586	1.721	85	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C)(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|O<2>,2|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C)(C[6a]C[6a]2){3|H<1>,6|C<3>}	120.2060	0.000	1	120.1810	0.001	2	120.1810	0.001	2	119.2586	1.721	85	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C)(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){3|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C)(C[6a]C[6a]2){3|H<1>,6|C<3>}	120.1560	0.000	1	120.1810	0.001	2	120.1810	0.001	2	119.2586	1.721	85	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:B-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]B)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]H)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(BCl2)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]B)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]H)(C[6a]C[6a]H){1|B<3>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(BCl2){2|H<1>,5|C<3>}	119.0065	0.251	2	119.0065	0.063	2	119.3945	0.189	6	119.2586	1.721	85	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:B-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]B)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]H)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(BN[6]Cl)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]B)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]H)(C[6a]C[6a]H){1|B<3>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(BN[6]Cl){2|H<1>,5|C<3>}	119.5885	0.379	4	119.5885	0.143	4	119.3945	0.189	6	119.2586	1.721	85	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[5])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(COO)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(COO){2|H<1>,5|C<3>}	116.4740	0.563	2	116.9827	0.486	4	116.9827	0.486	4	119.2586	1.721	85	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[5])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(COO)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(COO){2|H<1>,5|C<3>}	117.4915	0.323	2	116.9827	0.486	4	116.9827	0.486	4	119.2586	1.721	85	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[5a])(C[6a]C[6a]O)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,6|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[5a])(C[6a]C[6a]O){1|O<2>,2|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,7|C<3>}	118.1525	0.459	2	118.1525	0.211	2	119.6804	1.930	8	119.2586	1.721	85	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){3|H<1>,8|C<3>}	119.2870	0.197	2	119.4515	0.085	4	119.6804	1.930	8	119.2586	1.721	85	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,7|C<3>}	119.6160	0.328	2	119.4515	0.085	4	119.6804	1.930	8	119.2586	1.721	85	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]O)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,6|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]O){2|H<1>,6|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,7|C<3>}	121.6660	0.529	2	121.6660	0.280	2	119.6804	1.930	8	119.2586	1.721	85	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6a]C[6])(C[6a]C[6a]F)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]F)(C[6]N[6]N)	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]Ti)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6a]C[6])(C[6a]C[6a]F){1|Ti<11>,1|N<2>,1|N<3>,2|F<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]F)(C[6]N[6]N){1|Ti<11>,2|F<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]Ti){1|F<1>,2|C<4>,5|C<3>}	118.1570	0.000	1	118.1570	0.000	1	119.4355	3.269	2	119.2586	1.721	85	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,2|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]O){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	120.7140	0.000	1	120.7140	0.000	1	119.4355	3.269	2	119.2586	1.721	85	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a,6a]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]C)(N[6]C[6,6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a,6a]C){1|C<2>,1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]C)(N[6]C[6,6a]H){1|C<2>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|C<2>,1|N<3>,3|F<1>,6|C<3>}	118.8930	0.000	1	118.8930	0.000	1	118.8930	0.000	1	119.2586	1.721	85	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a,6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(N[6]C[6,6a]C)	N[6](C[6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a,6a]H){1|C<4>,1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(N[6]C[6,6a]C){1|H<1>,5|C<3>}	N[6](C[6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])2{2|H<1>,2|N<3>,7|C<3>}	118.4382	0.253	4	118.4382	0.064	4	118.4382	0.064	4	119.2586	1.721	85	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]F)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]H)(C[6a]C[6a]F)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]F){1|H<1>,2|F<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]H)(C[6a]C[6a]F){2|F<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|C<2>,1|N<3>,3|F<1>,6|C<3>}	120.3460	0.000	1	120.3460	0.000	1	119.0198	0.602	41	119.2586	1.721	85	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|N<3>,1|N<4>,3|H<1>,6|C<3>}	119.3125	0.110	2	119.3125	0.012	2	119.0198	0.602	41	119.2586	1.721	85	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,6|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|N<3>,4|H<1>,6|C<3>}	119.8830	0.000	1	119.2958	0.146	30	119.0198	0.602	41	119.2586	1.721	85	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|N<3>,4|H<1>,6|C<3>}	119.0420	0.290	3	119.2958	0.146	30	119.0198	0.602	41	119.2586	1.721	85	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,6|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|N<3>,4|H<1>,6|C<3>}	119.1560	0.000	1	119.2958	0.146	30	119.0198	0.602	41	119.2586	1.721	85	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|H<1>,7|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|N<3>,4|H<1>,6|C<3>}	119.8183	0.476	3	119.2958	0.146	30	119.0198	0.602	41	119.2586	1.721	85	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|N<3>,4|H<1>,6|C<3>}	119.2389	0.321	22	119.2958	0.146	30	119.0198	0.602	41	119.2586	1.721	85	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a]){1|N<3>,2|H<1>,8|C<3>}	118.9610	0.000	1	118.9610	0.000	1	119.0198	0.602	41	119.2586	1.721	85	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2){1|N<3>,3|H<1>,7|C<3>}	117.5721	0.400	7	117.5721	0.160	7	119.0198	0.602	41	119.2586	1.721	85	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:S[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(S[6]C[6,6a]C)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(S[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|S<3>,4|H<1>,6|C<3>}	123.2168	0.154	4	123.2168	0.024	4	123.2168	0.024	4	119.2586	1.721	85	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(N[6]C[6,6a]C[6a])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(N[6]C[6,6a]C[6a])	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(N[6]C[6,6a]C[6a]){1|H<1>,9|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(N[6]C[6,6a]C[6a]){1|H<1>,9|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a]){1|N<3>,2|H<1>,8|C<3>}	119.5840	0.000	1	119.5840	0.000	1	118.7706	0.372	8	119.2586	1.721	85	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(N[6]C[6,6a]C[6a])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(N[6]C[6,6a]C[6a])	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(N[6]C[6,6a]C[6a]){1|H<1>,9|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(N[6]C[6,6a]C[6a]){1|H<1>,9|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2){1|N<3>,3|H<1>,7|C<3>}	118.6544	0.555	7	118.6544	0.308	7	118.7706	0.372	8	119.2586	1.721	85	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[5,6a]C[5,6a]N[5])(C[6,6a]C[6a]C[6])(N[6]C[6]C)	C[6,6a](C[6,6a]C[5,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O)	N[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]H)(CCHH)	C[6,6a](C[5,6a]C[5,6a]N[5])(C[6,6a]C[6a]C[6])(N[6]C[6]C){1|Se<2>,1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[5,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	N[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]H)(CCHH){1|N<2>,4|C<3>}	119.2330	0.000	1	119.2330	0.000	1	119.2330	0.000	1	119.1211	1.136	466	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6,6a]-3:C[6,6a]-3:N[6]-3:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6,6a]C[6,6,6a]C[5,3x6])(C[6,6a]C[6a,6a]C[6])(N[6]C[6]C)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6,6a]N[6])(C[6]C[6]H)	N[6](C[6,6a]C[6,6,6a]C[6,6a])(C[6]C[6]H)(CH3)	C[6,6a](C[6,6,6a]C[6,6,6a]C[5,3x6])(C[6,6a]C[6a,6a]C[6])(N[6]C[6]C){2|H<1>,3|C<4>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6,6a]N[6])(C[6]C[6]H){1|N<2>,2|C<4>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6,6a]C[6,6a])(C[6]C[6]H)(CH3){1|C<4>,1|H<1>,3|C<3>}	117.3580	0.000	1	117.3580	0.000	1	117.3580	0.000	1	119.1211	1.136	466	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]C)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	N[6](C[6,6a]C[6,6a]2)(C[6]C[6]H)(CCHH)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]C){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]2)(C[6]C[6]H)(CCHH){1|H<1>,1|N<3>,3|C<3>}	118.3565	0.825	2	118.3565	0.681	2	118.3565	0.681	2	119.1211	1.136	466	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(CH3)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|H<1>,1|S<2>,3|C<3>,4|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(CH3){1|H<1>,2|C<4>,3|C<3>}	120.1770	0.000	1	119.9237	0.061	4	119.9237	0.061	4	119.1211	1.136	466	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(CH3)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|Si<4>,2|C<4>,2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(CH3){1|C<4>,1|H<1>,4|C<3>}	119.5860	0.000	1	119.9237	0.061	4	119.9237	0.061	4	119.1211	1.136	466	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(CH3)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|H<1>,3|C<3>,4|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(CH3){1|H<1>,2|C<4>,3|C<3>}	119.9660	0.037	2	119.9237	0.061	4	119.9237	0.061	4	119.1211	1.136	466	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:S-4:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(SC[6a]OO)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|H<1>,1|S<4>,3|C<3>,4|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(SC[6a]OO){1|H<1>,2|C<4>,3|C<3>}	118.5935	0.251	2	118.0588	0.506	6	118.0588	0.506	6	119.1211	1.136	466	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:S-4:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(SC[6a]OO)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|S<4>,2|H<1>,3|C<3>,3|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(SC[6a]OO){1|H<1>,2|C<4>,3|C<3>}	117.7915	0.732	4	118.0588	0.506	6	118.0588	0.506	6	119.1211	1.136	466	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]H)(CC[6a]HH)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|H<1>,1|N<3>,2|C<3>,2|O<2>}	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]O){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]H)(CC[6a]HH){1|H<1>,4|C<3>}	118.9580	0.000	1	118.9580	0.000	1	118.9580	0.000	1	119.1211	1.136	466	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)(CH3)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|H<1>,4|C<3>,4|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)(CH3){1|H<1>,2|C<4>,3|C<3>}	120.0330	0.000	1	119.6413	1.096	7	119.5659	0.984	8	119.1211	1.136	466	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)(CH3)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)(CH3){1|C<4>,1|H<1>,4|C<3>}	119.1240	0.000	1	119.6413	1.096	7	119.5659	0.984	8	119.1211	1.136	466	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)(CH3)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|H<1>,3|C<3>,4|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)(CH3){1|H<1>,2|C<4>,3|C<3>}	117.6530	0.000	1	119.6413	1.096	7	119.5659	0.984	8	119.1211	1.136	466	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)(CH3)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|H<1>,3|C<4>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)(CH3){1|H<1>,2|C<4>,3|C<3>}	120.1697	0.600	4	119.6413	1.096	7	119.5659	0.984	8	119.1211	1.136	466	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6]C[6,6]N[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)(CC[6a]HH)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>}	C[6,6a](C[6,6]C[6,6]N[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|C<3>,2|H<1>,4|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)(CC[6a]HH){1|H<1>,2|C<4>,3|C<3>}	119.0380	0.000	1	119.0380	0.000	1	119.5659	0.984	8	119.1211	1.136	466	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]N[6])(C[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC[6a]HH)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]N[6])(C[6]C[6]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC[6a]HH){2|H<1>,3|C<3>}	118.8855	0.022	2	118.8855	0.000	2	118.0554	1.024	14	119.1211	1.136	466	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]N[6])(C[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]N[6])(C[6]C[6]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){2|H<1>,3|C<3>}	119.4930	0.000	1	119.4930	0.000	1	118.0554	1.024	14	119.1211	1.136	466	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]N[6])(C[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|N<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]N[6])(C[6]C[6]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){2|H<1>,3|C<3>}	117.4155	0.043	2	117.4155	0.002	2	118.0554	1.024	14	119.1211	1.136	466	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]N[6])(C[6]C[6]Ir)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCHH)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|Ir<8>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]N[6])(C[6]C[6]Ir){1|C<4>,2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCHH){2|H<1>,3|C<3>}	117.5250	0.000	1	117.5250	0.000	1	118.0554	1.024	14	119.1211	1.136	466	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]N[6])(C[6]C[6]Os)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|Os<6>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]N[6])(C[6]C[6]Os){1|C<4>,2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){2|H<1>,3|C<3>}	117.8944	1.105	8	117.8944	1.222	8	118.0554	1.024	14	119.1211	1.136	466	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C)(CH3)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C)(CH3){1|H<1>,4|C<3>}	119.1400	0.000	1	119.1400	0.000	1	118.2409	6.619	7	119.1211	1.136	466	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]H)(CCHH)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]H)(CCHH){1|H<1>,1|N<2>,3|C<3>}	115.4355	4.101	2	116.7450	13.551	3	118.2409	6.619	7	119.1211	1.136	466	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]H)(CCHH)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]H)(CCHH){1|H<1>,4|C<3>}	119.3640	0.000	1	116.7450	13.551	3	118.2409	6.619	7	119.1211	1.136	466	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]H)(CH3)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]H)(CH3){1|H<1>,4|C<3>}	119.6040	0.000	1	119.6040	0.000	1	118.2409	6.619	7	119.1211	1.136	466	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]H)(CH3)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]H)(CH3){1|H<1>,4|C<3>}	118.7380	0.000	1	118.7380	0.000	1	118.2409	6.619	7	119.1211	1.136	466	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]N[6,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6a]O)(CH3)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]N[6,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6a]O)(CH3){1|H<1>,4|C<3>}	119.9690	0.000	1	119.9690	0.000	1	118.2409	6.619	7	119.1211	1.136	466	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[6,6]O)(C[6a]C[6a]H)	N[6](C[6,6]C[5a,6]N[6,6])(C[6,6a]C[6,6a]C[6a])(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[6,6]O)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	N[6](C[6,6]C[5a,6]N[6,6])(C[6,6a]C[6,6a]C[6a])(CH3){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	118.9430	0.397	3	118.9430	0.157	3	118.9430	0.157	3	119.1211	1.136	466	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(CC[6a]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]C){1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]O)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(CC[6a]HH){1|C<4>,1|H<1>,5|C<3>}	120.8225	1.535	2	120.8225	2.357	2	120.8540	0.910	4	119.1211	1.136	466	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]C){1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]O)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(CH3){1|C<4>,1|H<1>,5|C<3>}	120.8855	0.607	2	120.8855	0.369	2	120.8540	0.910	4	119.1211	1.136	466	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[4]C[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCHH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[4]C[6])(C[6a]C[6a]H){2|C<3>,3|C<4>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCHH){2|H<1>,3|C<3>}	118.6240	0.000	1	118.6240	0.000	1	119.9162	2.312	5	119.1211	1.136	466	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]C)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(CCHH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]C)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(CCHH){1|C<4>,1|H<1>,4|C<3>}	119.4560	0.000	1	119.4560	0.000	1	119.9162	2.312	5	119.1211	1.136	466	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(CH3){1|H<1>,5|C<3>}	121.5265	0.159	2	121.5265	0.025	2	119.9162	2.312	5	119.1211	1.136	466	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(CCCH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|N<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|H<1>,2|C<4>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(CCCH){1|H<1>,4|C<3>}	118.4480	0.000	1	118.4480	0.000	1	119.9162	2.312	5	119.1211	1.136	466	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:S-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|N<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]N[6])(C[6a]C[6a]H){1|S<4>,2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(SC[6a]OO){1|H<1>,3|C<3>}	117.1330	0.000	1	117.1330	0.000	1	117.1330	0.000	1	119.1211	1.136	466	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)(N[6]C[6,6a]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6,6a]H)(C[6]C[6,6a]C)	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)(N[6]C[6,6a]C){1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6,6a]H)(C[6]C[6,6a]C){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){2|H<1>,5|C<3>}	120.2350	0.141	2	120.2350	0.020	2	120.8328	0.489	6	119.1211	1.136	466	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)(N[6]C[6,6a]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6,6a]H)(C[6]C[6,6a]N)	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)(N[6]C[6,6a]C){1|H<1>,1|N<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6,6a]H)(C[6]C[6,6a]N){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){2|H<1>,5|C<3>}	121.3843	0.542	3	121.3843	0.294	3	120.8328	0.489	6	119.1211	1.136	466	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(N[6]C[6,6a]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(C[6]C[6,6a]N)	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(N[6]C[6,6a]C){1|H<1>,1|N<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(C[6]C[6,6a]N){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){2|H<1>,5|C<3>}	120.3740	0.000	1	120.3740	0.000	1	120.8328	0.489	6	119.1211	1.136	466	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:B-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]B)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(BC[6a]3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]B){2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|B<4>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(BC[6a]3){2|H<1>,3|C<3>}	119.5970	0.000	1	119.5970	0.000	1	119.5415	0.006	2	119.1211	1.136	466	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:B-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]B)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(BN3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]B){2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|B<4>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(BN3){2|H<1>,3|C<3>}	119.4860	0.000	1	119.4860	0.000	1	119.5415	0.006	2	119.1211	1.136	466	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[5,6a]H)(C[6]C[6]O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCHH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(N[6]C[6]C){2|C<3>,2|H<1>,2|O<2>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[5,6a]H)(C[6]C[6]O){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCHH){1|H<1>,4|C<3>}	118.5650	1.447	2	118.5650	2.093	2	118.5021	0.803	139	119.1211	1.136	466	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]B)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]B)(N[6]C[6]C){2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|B<3>,1|C<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|B<3>,1|H<1>,3|C<3>}	116.1980	0.000	1	116.1980	0.000	1	118.5021	0.803	139	119.1211	1.136	466	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]F)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCHH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]F)(N[6]C[6]C){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,2|F<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCHH){1|F<1>,4|C<3>}	118.6110	0.000	1	118.6110	0.000	1	118.5021	0.803	139	119.1211	1.136	466	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCHH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<4>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCHH){2|H<1>,3|C<3>}	121.3040	0.000	1	121.3040	0.000	1	118.5021	0.803	139	119.1211	1.136	466	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3){2|H<1>,3|C<3>}	119.6030	0.000	1	119.9257	0.411	3	118.5021	0.803	139	119.1211	1.136	466	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<4>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3){1|H<1>,4|C<3>}	119.5100	0.000	1	119.9257	0.411	3	118.5021	0.803	139	119.1211	1.136	466	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<4>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3){2|H<1>,3|C<3>}	120.6640	0.000	1	119.9257	0.411	3	118.5021	0.803	139	119.1211	1.136	466	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCHH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<4>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCHH){2|H<1>,3|C<3>}	119.0804	0.388	5	119.0804	0.151	5	118.5021	0.803	139	119.1211	1.136	466	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){2|H<1>,3|C<3>}	119.1300	0.000	1	118.9248	0.431	8	118.5021	0.803	139	119.1211	1.136	466	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<4>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){2|H<1>,3|C<3>}	118.8820	0.943	4	118.9248	0.431	8	118.5021	0.803	139	119.1211	1.136	466	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<4>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){2|H<1>,3|C<3>}	118.9133	0.386	3	118.9248	0.431	8	118.5021	0.803	139	119.1211	1.136	466	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){2|C<3>,2|H<1>,3|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3){1|H<1>,2|C<4>,3|C<3>}	118.0180	0.000	1	118.0180	0.000	1	118.5021	0.803	139	119.1211	1.136	466	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCHH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCHH){2|H<1>,3|C<3>}	119.0310	0.000	1	119.2110	0.110	4	118.5021	0.803	139	119.1211	1.136	466	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCHH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCHH){2|H<1>,3|C<3>}	119.7090	0.000	1	119.2110	0.110	4	118.5021	0.803	139	119.1211	1.136	466	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCHH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCHH){2|H<1>,3|C<3>}	119.0610	0.000	1	119.2110	0.110	4	118.5021	0.803	139	119.1211	1.136	466	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCHH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCHH){2|H<1>,3|C<3>}	119.0430	0.000	1	119.2110	0.110	4	118.5021	0.803	139	119.1211	1.136	466	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|Pd<4>,1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3){2|H<1>,3|C<3>}	118.6140	0.000	1	118.7494	0.526	28	118.5021	0.803	139	119.1211	1.136	466	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3){2|H<1>,3|C<3>}	118.7544	0.738	27	118.7494	0.526	28	118.5021	0.803	139	119.1211	1.136	466	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCHH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCHH){2|H<1>,3|C<3>}	119.0160	0.349	2	118.2239	0.280	16	118.5021	0.803	139	119.1211	1.136	466	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCHH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCHH){2|H<1>,3|C<3>}	118.1107	0.450	14	118.2239	0.280	16	118.5021	0.803	139	119.1211	1.136	466	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC[6a]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC[6a]HH){2|H<1>,3|C<3>}	118.0475	0.460	14	118.0077	0.220	15	118.5021	0.803	139	119.1211	1.136	466	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC[6a]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){2|C<3>,2|C<4>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	117.4510	0.000	1	118.0077	0.220	15	118.5021	0.803	139	119.1211	1.136	466	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|B<3>,1|C<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|B<3>,1|H<1>,3|C<3>}	118.1210	0.000	1	117.7005	0.494	14	118.5021	0.803	139	119.1211	1.136	466	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<2>,1|C<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|C<2>,1|H<1>,3|C<3>}	118.3470	0.148	3	117.7005	0.494	14	118.5021	0.803	139	119.1211	1.136	466	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){2|H<1>,3|C<3>}	118.3190	0.000	1	117.7005	0.494	14	118.5021	0.803	139	119.1211	1.136	466	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|H<1>,1|N<3>,3|C<3>}	117.3390	0.206	3	117.7005	0.494	14	118.5021	0.803	139	119.1211	1.136	466	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){2|H<1>,3|C<3>}	118.3375	0.564	2	117.7005	0.494	14	118.5021	0.803	139	119.1211	1.136	466	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){2|H<1>,3|C<3>}	116.7177	0.084	3	117.7005	0.494	14	118.5021	0.803	139	119.1211	1.136	466	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|H<1>,4|C<3>}	117.4810	0.000	1	117.7005	0.494	14	118.5021	0.803	139	119.1211	1.136	466	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]N)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCHH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]N){1|C<4>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCHH){2|H<1>,3|C<3>}	120.3120	0.477	2	120.3120	0.227	2	118.5021	0.803	139	119.1211	1.136	466	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCHH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|F<1>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCHH){1|H<1>,4|C<3>}	118.4915	0.549	18	118.4915	0.302	18	118.5021	0.803	139	119.1211	1.136	466	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	121.3955	0.128	2	121.3955	0.016	2	118.5021	0.803	139	119.1211	1.136	466	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]Pd)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|Cl<1>,1|Pd<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]Pd){1|C<4>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){2|H<1>,3|C<3>}	118.4130	0.000	1	118.4130	0.000	1	118.5021	0.803	139	119.1211	1.136	466	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(CCHH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){2|C<3>,2|C<4>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(CCHH){1|C<4>,1|H<1>,5|C<3>}	117.5845	0.095	2	117.5845	0.009	2	118.5021	0.803	139	119.1211	1.136	466	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]Rh)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|Rh<6>,1|C<3>,1|N<3>,1|O<1>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){2|C<3>,2|C<4>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]Rh)(CH3){1|C<4>,1|H<1>,3|C<3>}	118.7080	0.193	3	118.7080	0.037	3	118.5021	0.803	139	119.1211	1.136	466	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]N)(C[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]N)(C[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){2|H<1>,3|C<3>}	118.2960	0.151	3	118.2960	0.023	3	118.5021	0.803	139	119.1211	1.136	466	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC[6a]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]C){2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC[6a]HH){1|H<1>,1|O<2>,3|C<3>}	118.1158	0.639	6	118.1158	0.408	6	118.5021	0.803	139	119.1211	1.136	466	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]C){2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|H<1>,1|O<2>,3|C<3>}	117.6920	0.300	3	117.6920	0.090	3	118.5021	0.803	139	119.1211	1.136	466	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:S-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(SC[6a]OO){1|H<1>,2|C<4>,3|C<3>}	117.5230	0.000	1	117.5230	0.000	1	117.5230	0.000	1	119.1211	1.136	466	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(N[6]C[6,6a]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(N[6]C[6,6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(N[6]C[6,6a]C){2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(N[6]C[6,6a]H){1|C<4>,1|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){1|N<3>,2|H<1>,4|C<3>}	117.4190	0.000	1	117.4190	0.000	1	117.4190	0.000	1	119.1211	1.136	466	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[5,6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(CH3)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[5,6]H){1|C<4>,2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(CH3){1|H<1>,1|N<3>,4|C<3>}	117.6560	0.000	1	117.6560	0.000	1	118.2550	0.468	9	119.1211	1.136	466	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C){2|C<3>,2|C<4>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	118.8430	0.000	1	118.8430	0.000	1	118.2550	0.468	9	119.1211	1.136	466	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]Cd)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C){1|Cd<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]Cd){1|C<4>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|H<1>,1|N<3>,3|C<3>}	117.3205	0.076	2	117.3205	0.006	2	118.2550	0.468	9	119.1211	1.136	466	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C){2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|H<1>,1|N<3>,3|C<3>}	118.0920	0.000	1	118.0920	0.000	1	118.2550	0.468	9	119.1211	1.136	466	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C){1|O<1>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH){1|H<1>,1|N<3>,3|C<3>}	118.7255	0.056	2	118.7255	0.003	2	118.2550	0.468	9	119.1211	1.136	466	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]HH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C){1|O<1>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]HH){1|H<1>,1|N<3>,3|C<3>}	118.4830	0.000	1	118.4830	0.000	1	118.2550	0.468	9	119.1211	1.136	466	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C){1|O<1>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3){1|H<1>,1|N<3>,3|C<3>}	119.1290	0.000	1	119.1290	0.000	1	118.2550	0.468	9	119.1211	1.136	466	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:S-4:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]S)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]S){1|S<4>,2|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(SC[6a]OO){1|N<3>,2|C<3>,3|H<1>}	121.2370	0.385	5	121.2370	0.148	5	121.2370	0.148	5	119.1211	1.136	466	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(N[6]C[6,6a]C)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a,6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(N[6]C[6,6a]C){1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a,6a]H){1|C<4>,1|H<1>,6|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){1|N<3>,2|H<1>,4|C<3>}	118.8353	0.322	4	118.8353	0.104	4	118.8353	0.104	4	119.1211	1.136	466	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC[6a]HH)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){3|C<3>,3|H<1>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6]C[6]H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC[6a]HH){2|H<1>,3|C<3>}	118.6340	0.000	1	118.6340	0.000	1	118.6340	0.000	1	119.1211	1.136	466	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(N[6]C[6,6a]C)	C[6,6a](C[6a]C[6a,6a]C[6a])(C[6,6a]C[6a]N[6])(N[6]C[6,6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(N[6]C[6,6a]C){1|H<1>,5|C<3>}	C[6,6a](C[6a]C[6a,6a]C[6a])(C[6,6a]C[6a]N[6])(N[6]C[6,6a]H){1|C<4>,1|H<1>,6|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){1|N<3>,2|H<1>,4|C<3>}	118.7220	0.000	1	118.7220	0.000	1	118.0553	0.394	3	119.1211	1.136	466	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(N[6]C[6,6a]C)	C[6,6a](C[6a]C[6a,6a]N[6])(C[6,6a]C[6a]N[6])(N[6]C[6,6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(N[6]C[6,6a]C){1|H<1>,1|N<3>,4|C<3>}	C[6,6a](C[6a]C[6a,6a]N[6])(C[6,6a]C[6a]N[6])(N[6]C[6,6a]H){1|C<4>,1|H<1>,6|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){1|N<3>,2|H<1>,4|C<3>}	117.7220	0.349	2	117.7220	0.122	2	118.0553	0.394	3	119.1211	1.136	466	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6,6]C[6a])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6]C[6,6,6a]C[6,6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]O)	N[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CCHH)	C[6,6a](C[6,6a]C[6,6]C[6a])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|H<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6]C[6,6,6a]C[6,6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]O){1|C<4>,2|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CCHH){1|H<1>,1|O<2>,5|C<3>}	120.0570	0.000	1	119.7685	0.166	2	119.7685	0.166	2	119.1211	1.136	466	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6,6]C[6a])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6]C[6,6,6a]C[6,6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]O)	N[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CCHH)	C[6,6a](C[6,6a]C[6,6]C[6a])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|H<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6]C[6,6,6a]C[6,6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]O){1|C<4>,2|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CCHH){2|H<1>,5|C<3>}	119.4800	0.000	1	119.7685	0.166	2	119.7685	0.166	2	119.1211	1.136	466	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a,6a]C[6a,6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CCHH)	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a,6a]C[6a,6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CCHH){2|H<1>,5|C<3>}	120.1950	0.413	2	120.1950	0.171	2	119.6408	0.166	13	119.1211	1.136	466	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a,6a]C[6a,6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]O)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CCHH)	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|H<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a,6a]C[6a,6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]O){1|C<4>,2|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CCHH){1|H<1>,1|N<3>,5|C<3>}	119.5020	0.464	4	119.5401	0.110	11	119.6408	0.166	13	119.1211	1.136	466	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a,6a]C[6a,6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]O)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CCHH)	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|H<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a,6a]C[6a,6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]O){1|C<4>,2|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CCHH){1|H<1>,1|O<2>,5|C<3>}	119.8980	0.000	1	119.5401	0.110	11	119.6408	0.166	13	119.1211	1.136	466	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a,6a]C[6a,6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]O)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CCHH)	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|H<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a,6a]C[6a,6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]O){1|C<4>,2|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CCHH){2|H<1>,5|C<3>}	119.5058	0.251	6	119.5401	0.110	11	119.6408	0.166	13	119.1211	1.136	466	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[3]-4:	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6]C[3]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]H)(C[3]C[3]2H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6]C[3]C[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]H)(C[3]C[3]2H){4|C<3>,5|H<1>}	119.5860	0.000	1	119.5860	0.000	1	119.1265	0.422	2	119.1211	1.136	466	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[3]-4:	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6]C[3]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]O[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]H)(C[3]C[3]2H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6]C[3]C[6])(C[6a]C[6a]H){1|Cl<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6,6a]O[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|B<4>,1|C<4>,1|F<1>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]H)(C[3]C[3]2H){4|C<3>,5|H<1>}	118.6670	0.000	1	118.6670	0.000	1	119.1265	0.422	2	119.1211	1.136	466	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[5a,6]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5a,6]O)(C[6a]C[6a]H)	N[6](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[5a,6]C)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5a,6]O)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	N[6](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(CH3){1|C<4>,1|H<1>,5|C<3>}	120.6780	0.000	1	120.6780	0.000	1	120.6780	0.000	1	119.1211	1.136	466	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:B-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]B)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]H)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(BCl3)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]B)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]H)(C[6a]C[6a]H){1|B<4>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(BCl3){2|H<1>,5|C<3>}	119.8655	0.193	2	119.8655	0.037	2	120.0613	0.419	9	119.1211	1.136	466	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:B-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]B)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]H)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(BN[6]Cl2)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]B)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]H)(C[6a]C[6a]H){1|B<4>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(BN[6]Cl2){2|H<1>,5|C<3>}	120.1173	0.733	7	120.1173	0.537	7	120.0613	0.419	9	119.1211	1.136	466	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C)(C[6a]C[6a]H){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){2|H<1>,5|C<3>}	120.1710	0.010	2	120.2939	0.023	8	119.5383	0.253	184	119.1211	1.136	466	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){2|H<1>,5|C<3>}	120.3348	0.154	6	120.2939	0.023	8	119.5383	0.253	184	119.1211	1.136	466	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(CH3){2|H<1>,5|C<3>}	119.6790	0.316	4	119.4890	0.152	36	119.5383	0.253	184	119.1211	1.136	466	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(CH3){2|H<1>,5|C<3>}	119.4652	0.395	32	119.4890	0.152	36	119.5383	0.253	184	119.1211	1.136	466	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[5])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(CH3){2|H<1>,5|C<3>}	119.4630	0.467	8	119.4630	0.218	8	119.5383	0.253	184	119.1211	1.136	466	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(CH3){2|H<1>,5|C<3>}	119.5782	0.333	4	119.5782	0.111	4	119.5383	0.253	184	119.1211	1.136	466	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(CH3){2|H<1>,5|C<3>}	119.5406	0.435	109	119.5406	0.190	109	119.5383	0.253	184	119.1211	1.136	466	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]O)	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|H<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]O){1|C<4>,2|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){2|H<1>,5|C<3>}	119.2208	0.580	5	119.2208	0.336	5	119.5383	0.253	184	119.1211	1.136	466	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]O)	N[6](C[6,6a]C[6,6a]C[6a])2(CC[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|H<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]O){1|C<4>,2|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(CC[6]HH){2|H<1>,5|C<3>}	118.9095	0.052	2	118.9095	0.003	2	119.5383	0.253	184	119.1211	1.136	466	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]H)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(CCHH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|N<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]H)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(CCHH){1|H<1>,5|C<3>}	119.4930	0.000	1	119.4930	0.000	1	119.5383	0.253	184	119.1211	1.136	466	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]H)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]H)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){2|H<1>,5|C<3>}	118.4768	0.276	5	118.4768	0.076	5	119.5383	0.253	184	119.1211	1.136	466	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]H)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]H)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(CH3){2|H<1>,5|C<3>}	119.4615	0.520	2	119.4615	0.270	2	119.5383	0.253	184	119.1211	1.136	466	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]N)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]N)(C[6a]C[6a]H){1|C<4>,1|F<1>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){2|H<1>,5|C<3>}	120.5467	0.317	3	120.6095	0.083	4	119.5383	0.253	184	119.1211	1.136	466	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]N)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]N)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){2|H<1>,5|C<3>}	120.7980	0.000	1	120.6095	0.083	4	119.5383	0.253	184	119.1211	1.136	466	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[5]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[5])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]O)	N[6](C[6,6a]C[6,6a]C[6a])2(C[5]C[5]2H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[5])(C[6a]C[6a]H){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]O){1|C<4>,2|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[5]C[5]2H){1|O<2>,2|C<4>,5|C<3>,5|H<1>}	118.9140	0.091	2	118.9140	0.008	2	118.9140	0.008	2	119.1211	1.136	466	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(CCHH)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(CCHH){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	119.9985	0.280	4	119.9985	0.078	4	119.6390	0.187	8	119.1211	1.136	466	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(CH3)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(CH3){1|N<3>,2|H<1>,4|C<3>}	119.2795	0.113	4	119.2795	0.013	4	119.6390	0.187	8	119.1211	1.136	466	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:Ga[5]-4:	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]Ga[5])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]Ga[5])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(Ga[5]N[5]2O[5])	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]Ga[5])(C[6a]C[6a]H){1|Ga<4>,1|O<3>,2|H<1>,2|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]Ga[5])(C[6a]C[6a]H){1|Ga<4>,1|O<3>,2|H<1>,2|N<3>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(Ga[5]N[5]2O[5]){1|N<3>,2|C<4>,2|H<1>,8|C<3>}	120.8775	0.394	2	120.8775	0.155	2	120.8775	0.155	2	119.1211	1.136	466	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:S[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(S[6]C[6,6a]O)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(S[6]C[6,6a]O)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){1|S<3>,2|H<1>,4|C<3>}	121.5348	0.216	4	121.5348	0.047	4	121.5348	0.047	4	119.1211	1.136	466	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a,6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[6a])	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	C[6,6a](C[6,6a]C[6a,6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|H<1>,5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[6a]){1|C<4>,2|H<1>,7|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){2|H<1>,5|C<3>}	119.5460	0.000	1	119.5460	0.000	1	119.5460	0.000	1	119.1211	1.136	466	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[5,6,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[5,6,6a]C[6])(N[6]C[6]C)	C[6,6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6,6a]C[6a,6a]N[6])(C[6]C[6]H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(CH3)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[5,6,6a]C[6])(N[6]C[6]C){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6,6a]C[6a,6a]N[6])(C[6]C[6]H){1|H<1>,1|N<2>,3|C<3>,4|C<4>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(CH3){1|H<1>,1|N<2>,3|C<3>}	117.6600	0.000	1	117.6600	0.000	1	117.6600	0.000	1	119.1211	1.136	466	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]H)(CH3)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[6]C[6]C){3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]H)(CH3){5|C<3>}	116.9612	0.469	5	116.9612	0.219	5	116.9612	0.219	5	119.1211	1.136	466	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:B-4:	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]B)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(BC[6a]3)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]B){3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|B<4>,1|N<2>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(BC[6a]3){1|H<1>,1|N<2>,3|C<3>}	119.2905	0.026	2	119.2905	0.001	2	119.2905	0.001	2	119.1211	1.136	466	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(CCHH)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]C){3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(CCHH){1|H<1>,1|N<2>,3|C<3>}	116.9485	0.217	2	116.9485	0.047	2	116.9485	0.047	2	119.1211	1.136	466	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[5,6]N[5,6]N[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]C[5a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){2|C<3>,2|N<3>,3|H<1>}	C[6,6a](C[5,6]N[5,6]N[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|Cd<4>,1|C<4>,3|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]C[5a]H)(H){1|H<1>,1|O<2>,5|C<3>}	119.1960	0.000	1	119.1960	0.000	1	119.7502	1.819	5	119.3071	0.958	114	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[5,6]N[5,6]N[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]C[6a]C)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,2|C<3>,2|H<1>,2|N<3>}	C[6,6a](C[5,6]N[5,6]N[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]C[6a]C)(H){1|H<1>,1|N<2>,5|C<3>}	117.8800	0.000	1	117.8800	0.000	1	119.7502	1.819	5	119.3071	0.958	114	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[5,6]N[5,6]N[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){2|C<3>,2|N<3>,3|H<1>}	C[6,6a](C[5,6]N[5,6]N[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]C[6a]H)(H){1|H<1>,1|N<2>,5|C<3>}	119.6310	0.000	1	120.5583	0.757	3	119.7502	1.819	5	119.3071	0.958	114	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[5,6]N[5,6]N[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){2|C<3>,2|N<3>,3|H<1>}	C[6,6a](C[5,6]N[5,6]N[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]C[6a]H)(H){1|H<1>,6|C<3>}	121.0220	0.472	2	120.5583	0.757	3	119.7502	1.819	5	119.3071	0.958	114	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[5a,6]C[5a,6a]N[5a,6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]CC)(H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[5a,6]C[5a,6a]N[5a,6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|N<2>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]CC)(H){1|H<1>,1|N<2>,3|C<3>}	118.9270	0.000	1	118.9270	0.000	1	119.6827	0.627	12	119.3071	0.958	114	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a]C)(H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a]C)(H){1|H<1>,6|C<3>}	118.3330	0.000	1	118.3330	0.000	1	119.6827	0.627	12	119.3071	0.958	114	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a]H)(H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,3|C<3>,3|H<1>}	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a]H)(H){1|H<1>,1|N<2>,5|C<3>}	120.2330	0.000	1	120.2330	0.000	1	119.6827	0.627	12	119.3071	0.958	114	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[5a]H)(H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[5a]H)(H){1|H<1>,1|S<2>,5|C<3>}	120.4265	0.763	2	120.4265	0.582	2	119.6827	0.627	12	119.3071	0.958	114	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a]C)(H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a]C)(H){1|H<1>,1|N<2>,5|C<3>}	118.4970	0.000	1	118.4970	0.000	1	119.6827	0.627	12	119.3071	0.958	114	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a]H)(H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a]H)(H){1|H<1>,6|C<3>}	119.8915	0.412	6	119.8915	0.170	6	119.6827	0.627	12	119.3071	0.958	114	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]H)(N[6]C[6]O)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]N[6])(C[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6])(O)	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]H)(N[6]C[6]O){1|N<2>,2|H<1>,4|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]N[6])(C[6]C[6]H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|S<2>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6])(O){2|H<1>,7|C<3>}	118.9810	0.000	1	118.9810	0.000	1	118.9810	0.000	1	119.3071	0.958	114	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CC)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){2|C<3>,2|H<1>,3|C<4>}	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CC)(H){1|H<1>,4|C<3>}	119.5140	0.000	1	119.5140	0.000	1	119.5140	0.000	1	119.3071	0.958	114	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]H)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]2)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]2)(H){2|C<4>,4|C<3>,5|H<1>}	121.2980	0.000	1	121.2980	0.000	1	121.2980	0.000	1	119.3071	0.958	114	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CC)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CC)(H){1|H<1>,4|C<3>}	120.2110	1.212	2	120.2110	1.469	2	119.3460	1.604	4	119.3071	0.958	114	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|N<2>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]H)(H){1|H<1>,6|C<3>}	118.9000	0.000	1	118.9000	0.000	1	119.3460	1.604	4	119.3071	0.958	114	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]N[6,6a]N[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]N[6,6a]N[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6a]C[6a]H)(H){1|H<1>,6|C<3>}	118.0620	0.000	1	118.0620	0.000	1	119.3460	1.604	4	119.3071	0.958	114	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]O)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]2)(O)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]O){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]2)(O){1|H<1>,8|C<3>}	118.4210	0.000	1	118.4210	0.000	1	118.4210	0.000	1	119.3071	0.958	114	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5,6]O)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5,6]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]C)(H){2|H<1>,3|C<3>,3|C<4>}	118.5560	0.000	1	118.5560	0.000	1	119.1190	0.634	2	119.3071	0.958	114	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5,6]O)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5,6]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(H){2|H<1>,3|C<3>,3|C<4>}	119.6820	0.000	1	119.6820	0.000	1	119.1190	0.634	2	119.3071	0.958	114	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]N[6a]N)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]H){1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]N[6a]N){1|C<2>,1|C<4>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(H){1|C<2>,1|H<1>,5|C<3>}	119.4770	0.000	1	119.7140	0.112	2	118.4252	1.851	5	119.3071	0.958	114	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]N[6a]N)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]H){1|C<4>,1|N<2>,1|N<3>,1|S<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]N[6a]N){1|C<2>,1|C<4>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(H){1|C<2>,1|H<1>,5|C<3>}	119.9510	0.000	1	119.7140	0.112	2	118.4252	1.851	5	119.3071	0.958	114	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<2>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H){1|H<1>,5|C<3>}	117.0900	0.628	2	117.0900	0.394	2	118.4252	1.851	5	119.3071	0.958	114	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H){1|N<3>,2|C<4>,3|C<3>}	118.5180	0.000	1	118.5180	0.000	1	118.4252	1.851	5	119.3071	0.958	114	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]N[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]H){1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]N[6]){1|C<4>,3|H<1>,6|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]2)(H){1|H<1>,8|C<3>}	117.4030	0.000	1	117.4030	0.000	1	117.4030	0.000	1	119.3071	0.958	114	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[5,6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2N[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|C<4>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2N[6])(H){2|C<4>,3|C<3>,6|H<1>}	119.1425	0.233	2	119.1425	0.054	2	119.1425	0.054	2	119.3071	0.958	114	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6,6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(C[6]N[6]O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2N[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6,6]H){1|N<3>,1|O<1>,2|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(C[6]N[6]O){1|C<2>,1|C<3>,1|C<4>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2N[6])(H){1|C<2>,2|C<4>,3|C<3>,5|H<1>}	119.9610	0.000	1	119.9610	0.000	1	119.9610	0.000	1	119.3071	0.958	114	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6,6a]H)(C[6]C[6]O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)(N[6]C[6]H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,3|C<4>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6,6a]H)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H){3|C<3>,3|H<1>}	120.0705	0.015	2	120.0705	0.000	2	119.0737	0.723	40	119.3071	0.958	114	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(C[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){3|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(C[6]C[6]C){1|C<3>,1|C<4>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H){2|H<1>,3|C<3>}	119.9050	0.000	1	119.9050	0.000	1	119.0737	0.723	40	119.3071	0.958	114	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(C[6]O[6]O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(C[6]O[6]O){1|C<3>,1|C<4>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(H){1|H<1>,5|C<3>}	118.4540	0.066	2	118.4540	0.004	2	119.0737	0.723	40	119.3071	0.958	114	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]Cl)(C[6]N[6]O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|Cl<1>,1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]Cl)(C[6]N[6]O){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H){1|H<1>,1|O<2>,3|C<3>}	119.0740	0.000	1	119.0740	0.000	1	119.0737	0.723	40	119.3071	0.958	114	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,1|C<4>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H){2|H<1>,3|C<3>}	119.5140	0.000	1	119.2660	0.186	3	119.0737	0.723	40	119.3071	0.958	114	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<4>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H){2|H<1>,3|C<3>}	119.5160	0.000	1	119.2660	0.186	3	119.0737	0.723	40	119.3071	0.958	114	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,1|C<4>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H){2|H<1>,3|C<3>}	118.7680	0.000	1	119.2660	0.186	3	119.0737	0.723	40	119.3071	0.958	114	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|C<4>,5|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){3|H<1>,5|C<3>}	121.1067	0.532	3	121.1067	0.283	3	119.0737	0.723	40	119.3071	0.958	114	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]C){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H){1|H<1>,1|O<1>,5|C<3>}	118.3980	0.000	1	118.3980	0.000	1	119.0737	0.723	40	119.3071	0.958	114	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]C){1|C<3>,2|C<4>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H){1|C<4>,1|H<1>,3|C<3>}	117.7380	0.000	1	117.7380	0.000	1	119.0737	0.723	40	119.3071	0.958	114	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]H){1|C<4>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H){1|H<1>,6|C<3>}	118.6280	0.000	1	118.6280	0.000	1	119.0737	0.723	40	119.3071	0.958	114	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]N[6]H)(H){1|H<1>,2|N<3>,4|C<3>}	119.0705	0.091	2	119.0705	0.008	2	119.0737	0.723	40	119.3071	0.958	114	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]N[6]H)(H){1|H<1>,1|O<2>,5|C<3>}	118.3130	0.000	1	118.3130	0.000	1	119.0737	0.723	40	119.3071	0.958	114	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|C<4>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]C)(H){2|H<1>,5|C<3>}	118.5370	0.000	1	118.5370	0.000	1	119.0737	0.723	40	119.3071	0.958	114	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|Cl<1>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|C<4>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H){2|H<1>,5|C<3>}	119.2020	0.000	1	119.0312	0.215	12	119.0737	0.723	40	119.3071	0.958	114	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H){1|H<1>,2|N<2>,4|C<3>}	118.6550	0.081	2	119.0312	0.215	12	119.0737	0.723	40	119.3071	0.958	114	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|C<4>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H){2|H<1>,5|C<3>}	119.2837	0.321	7	119.0312	0.215	12	119.0737	0.723	40	119.3071	0.958	114	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H){1|H<1>,6|C<3>}	118.4380	0.523	2	119.0312	0.215	12	119.0737	0.723	40	119.3071	0.958	114	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,3|C<4>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|C<4>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H){2|H<1>,3|C<3>}	118.5390	0.000	1	118.7400	0.081	2	119.0737	0.723	40	119.3071	0.958	114	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|Cl<1>,1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H){1|H<1>,4|C<3>}	118.9410	0.000	1	118.7400	0.081	2	119.0737	0.723	40	119.3071	0.958	114	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]Pd)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|Pd<4>,1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]Pd){1|C<4>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H){1|H<1>,6|C<3>}	118.1360	0.221	2	118.1360	0.049	2	119.0737	0.723	40	119.3071	0.958	114	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]Pd)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|Pd<4>,1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]Pd){1|C<4>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H){1|H<1>,4|C<3>}	117.9845	0.115	2	117.9845	0.013	2	119.0737	0.723	40	119.3071	0.958	114	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]O)(C[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,2|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]O)(C[6]C[6]C){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H){2|H<1>,3|C<3>}	118.6240	0.000	1	118.6240	0.000	1	119.0737	0.723	40	119.3071	0.958	114	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]N)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]H){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]N){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H){1|N<3>,2|H<1>,3|C<3>}	119.6645	0.438	2	119.6645	0.192	2	119.0737	0.723	40	119.3071	0.958	114	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:P[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]P[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(P[6]C[6]OO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]P[6]H){1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<2>,1|P<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(P[6]C[6]OO)(H){1|H<1>,4|C<3>}	120.2100	0.000	1	119.8537	0.098	3	119.8537	0.098	3	119.3071	0.958	114	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:P[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]P[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(P[6]C[6]OO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]P[6]H){1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,1|P<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(P[6]C[6]OO)(H){1|H<1>,4|C<3>}	119.6230	0.000	1	119.8537	0.098	3	119.8537	0.098	3	119.3071	0.958	114	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:P[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]P[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(P[6]C[6]OO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]P[6]H){1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|P<4>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(P[6]C[6]OO)(H){1|H<1>,4|C<3>}	119.7280	0.000	1	119.8537	0.098	3	119.8537	0.098	3	119.3071	0.958	114	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:S[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]Cl)(C[6]C[6]O)	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]H){1|Cl<1>,1|H<1>,1|O<2>,2|C<3>,2|O<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]Cl)(C[6]C[6]O){1|S<4>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(H){1|H<1>,4|C<3>}	118.9440	0.000	1	118.9440	0.000	1	119.0965	0.515	6	119.3071	0.958	114	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:S[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]H){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|S<4>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(H){1|H<1>,4|C<3>}	119.3120	0.000	1	119.3120	0.000	1	119.0965	0.515	6	119.3071	0.958	114	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:S[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]H){2|C<3>,2|O<1>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|F<1>,1|S<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(H){1|H<1>,4|C<3>}	118.5730	0.494	2	118.5730	0.244	2	119.0965	0.515	6	119.3071	0.958	114	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:S[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O)	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]H){1|O<2>,2|C<3>,2|H<1>,2|O<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O){1|S<4>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(H){1|H<1>,4|C<3>}	120.3720	0.000	1	120.3720	0.000	1	119.0965	0.515	6	119.3071	0.958	114	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:S[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	N[6](C[6,6a]C[6,6a]C[6a])(S[6]N[6]OO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]H){1|C<3>,1|N<3>,2|H<1>,3|O<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(S[6]N[6]OO)(H){1|C<4>,1|H<1>,3|C<3>}	118.8050	0.000	1	118.8050	0.000	1	119.0965	0.515	6	119.3071	0.958	114	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6,6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6,6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6,6a]H)(N[6]C[6]H){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6,6a]H)(N[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H){1|N<3>,2|C<3>,3|H<1>}	117.1640	0.000	1	118.1620	1.992	2	119.3046	0.984	13	119.3071	0.958	114	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6,6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6,6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6,6a]H)(N[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6,6a]H)(N[6]C[6]H){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H){1|N<3>,2|C<3>,3|H<1>}	119.1600	0.000	1	118.1620	1.992	2	119.3046	0.984	13	119.3071	0.958	114	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(N[6]C[6]H){1|C<2>,1|C<3>,1|C<4>,1|F<1>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(N[6]C[6]H){1|C<2>,1|C<3>,1|C<4>,1|F<1>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H){1|C<2>,1|N<3>,2|C<3>,2|H<1>}	118.8705	0.127	2	118.8705	0.016	2	119.3046	0.984	13	119.3071	0.958	114	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,2|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|C<4>,5|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H){1|N<3>,2|C<3>,3|H<1>}	119.2550	0.000	1	119.2550	0.000	1	119.3046	0.984	13	119.3071	0.958	114	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|C<4>,5|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,2|C<4>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	119.0930	0.000	1	119.0930	0.000	1	119.3046	0.984	13	119.3071	0.958	114	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(H){1|N<3>,2|H<1>,5|C<3>}	118.8500	0.000	1	118.8500	0.000	1	119.3046	0.984	13	119.3071	0.958	114	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,2|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|N<3>,2|H<1>,5|C<3>}	120.0000	0.817	3	120.0000	0.668	3	119.3046	0.984	13	119.3071	0.958	114	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]S)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|S<4>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,1|C<4>,5|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H){1|N<3>,2|C<3>,3|H<1>}	121.1110	0.000	1	121.1110	0.000	1	119.3046	0.984	13	119.3071	0.958	114	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]N[6]O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|N<2>,1|O<1>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]N[6]O){1|C<3>,1|C<4>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H){1|H<1>,1|N<3>,2|C<3>}	119.2930	0.714	2	119.2930	0.510	2	119.3046	0.984	13	119.3071	0.958	114	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:B[6]-4:H-1:	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[6]B[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(N[5,6]N[5,6]C[5])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]C[6a]2)(H)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[6]B[6]H){1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(N[5,6]N[5,6]C[5])(C[6a]C[6a]H){1|B<4>,1|C<4>,3|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]C[6a]2)(H){1|H<1>,1|N<3>,7|C<3>}	119.7615	0.074	2	119.6017	0.079	3	119.6017	0.079	3	119.3071	0.958	114	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:B[6]-4:H-1:	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[6]B[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(N[5,6]N[5,6]C[5])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]C[6a]2)(H)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[6]B[6]H){1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(N[5,6]N[5,6]C[5])(C[6a]C[6a]H){1|B<4>,1|O<2>,3|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]C[6a]2)(H){1|H<1>,1|N<3>,7|C<3>}	119.2820	0.000	1	119.6017	0.079	3	119.6017	0.079	3	119.3071	0.958	114	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a,6a]-3:C[6,6]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[6,6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6,6a]C[6a]N[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6,6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6,6a]C[6a]N[6]){3|C<3>,3|C<4>,5|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H){1|C<4>,2|H<1>,5|C<3>}	121.8780	0.000	1	121.8780	0.000	1	121.8780	0.000	1	119.3071	0.958	114	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(N[6]C[6]O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6])(O)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(N[6]C[6]O){2|H<1>,5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6]C[6]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6])(O){2|H<1>,7|C<3>}	120.9140	0.000	1	120.9140	0.000	1	120.9140	0.000	1	119.3071	0.958	114	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]CC)(H)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]CC)(H){1|H<1>,1|N<3>,3|C<3>}	119.1280	0.000	1	119.8600	1.072	2	119.6703	0.831	9	119.3071	0.958	114	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]CC)(H)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|H<1>,2|C<4>,4|C<3>}	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]CC)(H){1|H<1>,1|N<3>,3|C<3>}	120.5920	0.000	1	119.8600	1.072	2	119.6703	0.831	9	119.3071	0.958	114	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[6a]H)(H)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){3|H<1>,4|C<3>}	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|Br<1>,1|C<4>,3|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[6a]H)(H){1|H<1>,1|N<3>,5|C<3>}	120.3050	1.389	2	119.5594	1.299	5	119.6703	0.831	9	119.3071	0.958	114	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[6a]H)(H)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){3|H<1>,4|C<3>}	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[6a]H)(H){1|H<1>,1|N<3>,5|C<3>}	119.0623	0.841	3	119.5594	1.299	5	119.6703	0.831	9	119.3071	0.958	114	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](N[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]CC)(H)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|H<1>,2|C<4>,4|C<3>}	C[6,6a](N[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]CC)(H){1|H<1>,1|N<3>,3|C<3>}	119.7580	0.478	2	119.7580	0.228	2	119.6703	0.831	9	119.3071	0.958	114	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:1:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:P[6]-4:H-1:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]P[6]H)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(P[6]C[6]OO)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]P[6]H){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|P<4>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(P[6]C[6]OO)(H){5|C<3>}	119.7930	0.000	1	119.7930	0.000	1	119.7930	0.000	1	119.3071	0.958	114	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:1:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6a,6a]C[3x6a]C[6a])(C[6,6a]C[6a,6a]N[6])(N[6]C[6]H)	C[6,6a](C[6a,6a]C[3x6a]C[6a])(C[6,6a]C[6a,6a]N[6])(N[6]C[6]H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(H)	C[6,6a](C[6a,6a]C[3x6a]C[6a])(C[6,6a]C[6a,6a]N[6])(N[6]C[6]H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6,6a](C[6a,6a]C[3x6a]C[6a])(C[6,6a]C[6a,6a]N[6])(N[6]C[6]H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(H){1|N<3>,2|H<1>,3|C<3>}	117.9810	0.000	1	117.9810	0.000	1	117.9810	0.000	1	119.3071	0.958	114	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]O[6])(N[6]C[6]C)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Cl)	N[6](C[6,6a]C[6,6a]2)(C[6]C[6,6a]CH)(CCO)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]O[6])(N[6]C[6]C){1|Cl<1>,1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Cl){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]2)(C[6]C[6,6a]CH)(CCO){1|O<2>,4|C<3>}	117.5740	0.000	1	117.5740	0.000	1	117.5740	0.000	1	118.5653	3.662	64	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]C)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(CC[6a]S)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]C){2|C<3>,3|C<4>,5|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]C){2|C<3>,3|C<4>,5|H<1>}	N[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(CC[6a]S){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	124.3155	0.585	2	124.3155	0.342	2	124.4137	0.200	3	118.5653	3.662	64	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]C)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(CC[6a]Se)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]C){2|C<3>,3|C<4>,5|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]C){2|C<3>,3|C<4>,5|H<1>}	N[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(CC[6a]Se){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	124.6100	0.000	1	124.6100	0.000	1	124.4137	0.200	3	118.5653	3.662	64	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[5,6]C[5,6]N[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CH)(COO)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[5,6]C[5,6]N[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|S<4>,2|C<3>,2|H<1>,3|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CH)(COO){1|C<4>,1|H<1>,3|C<3>}	117.7970	0.000	1	117.7970	0.000	1	117.7970	0.000	1	118.5653	3.662	64	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[5]H)(CCO)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[5]H)(CCO){1|O<2>,2|H<1>,5|C<3>}	117.3930	0.000	1	117.3930	0.000	1	117.0544	0.043	5	118.5653	3.662	64	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(CCO)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(CCO){1|H<1>,4|C<3>}	117.0550	0.000	1	117.0550	0.000	1	117.0544	0.043	5	118.5653	3.662	64	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]N[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(COO)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]N[6]){3|C<4>,3|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(COO){1|H<1>,4|C<3>}	116.9220	0.000	1	116.9413	0.010	3	117.0544	0.043	5	118.5653	3.662	64	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]N[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(COO)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|N<3>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]N[6]){3|C<4>,3|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(COO){1|H<1>,4|C<3>}	116.9510	0.139	2	116.9413	0.010	3	117.0544	0.043	5	118.5653	3.662	64	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:N-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]N)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)(NCC)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]N){1|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)(NCC){1|H<1>,4|C<3>}	116.6920	0.000	1	116.6920	0.000	1	116.6920	0.000	1	118.5653	3.662	64	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[5,6]-4:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5])(CHO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]C){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5])(CHO){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	119.1440	0.000	1	119.1440	0.000	1	119.1440	0.000	1	118.5653	3.662	64	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[5,6a]H)(C[6]C[6]O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CCO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(N[6]C[6]C){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[5,6a]H)(C[6]C[6]O){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CCO){3|H<1>,5|C<3>}	118.5760	0.000	1	118.5760	0.000	1	117.7203	0.998	18	118.5653	3.662	64	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CCO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<4>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CCO){2|H<1>,5|C<3>}	118.0750	0.000	1	118.0750	0.000	1	117.7203	0.998	18	118.5653	3.662	64	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){2|C<3>,2|C<4>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]O){1|C<4>,2|H<1>,5|C<3>}	120.1760	0.000	1	120.1760	0.000	1	117.7203	0.998	18	118.5653	3.662	64	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]Cl)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|Cl<1>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]Cl){1|C<4>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]O){2|H<1>,3|C<3>}	117.5350	0.000	1	117.5350	0.000	1	117.7203	0.998	18	118.5653	3.662	64	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]Cl)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CHO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|Cl<1>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]Cl){1|C<4>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CHO){2|H<1>,5|C<3>}	117.7740	0.000	1	117.7740	0.000	1	117.7203	0.998	18	118.5653	3.662	64	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<2>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCC){2|H<1>,3|C<3>}	117.0390	0.000	1	117.0390	0.000	1	117.7203	0.998	18	118.5653	3.662	64	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CN[5]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<2>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CN[5]O){2|H<1>,3|C<3>}	117.0765	0.592	2	117.0765	0.350	2	117.7203	0.998	18	118.5653	3.662	64	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(COO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(COO){2|H<1>,3|C<3>}	117.7705	0.360	2	117.1180	1.342	3	117.7203	0.998	18	118.5653	3.662	64	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(COO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(COO){2|H<1>,3|C<3>}	115.8130	0.000	1	117.1180	1.342	3	117.7203	0.998	18	118.5653	3.662	64	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){2|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]O){2|H<1>,3|C<3>}	118.8240	0.000	1	117.6687	1.228	3	117.7203	0.998	18	118.5653	3.662	64	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){2|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]O){2|H<1>,3|C<3>}	117.5670	0.000	1	117.6687	1.228	3	117.7203	0.998	18	118.5653	3.662	64	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){2|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){2|C<3>,2|C<4>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]O){1|C<4>,1|H<1>,3|C<3>}	116.6150	0.000	1	117.6687	1.228	3	117.7203	0.998	18	118.5653	3.662	64	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(COO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){2|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(COO){1|Br<1>,1|H<1>,3|C<3>}	117.0280	0.000	1	117.0280	0.000	1	117.7203	0.998	18	118.5653	3.662	64	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(COO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(COO){2|H<1>,5|C<3>}	117.1840	0.000	1	117.1840	0.000	1	117.7203	0.998	18	118.5653	3.662	64	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CCO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O){2|C<3>,2|C<4>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CCO){1|C<4>,2|H<1>,5|C<3>}	118.3410	0.000	1	118.3410	0.000	1	117.7203	0.998	18	118.5653	3.662	64	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(COO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,3|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(COO){2|H<1>,6|C<3>}	118.7250	0.000	1	118.7250	0.000	1	117.7203	0.998	18	118.5653	3.662	64	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CC[6a]O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CC[6a]O){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	116.6235	0.956	4	116.6235	0.913	4	116.5925	0.550	6	118.5653	3.662	64	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCO)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C){2|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCO){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	116.5305	0.023	2	116.5305	0.001	2	116.5925	0.550	6	118.5653	3.662	64	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]CH)(CCO)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|Cl<1>,1|C<4>,2|H<1>,3|C<3>}	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]CH)(CCO){1|H<1>,1|N<3>,3|C<3>}	118.2980	0.000	1	118.2980	0.000	1	118.2980	0.000	1	118.5653	3.662	64	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:B[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6]C[6a]B[6])(C[6a]C[6a]H)	C[6,6a](C[5,6]N[5,6]O[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]FF)(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6]C[6a]B[6])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|F<1>,2|H<1>,3|C<3>}	C[6,6a](C[5,6]N[5,6]O[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|B<4>,2|C<3>,2|C<4>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]FF)(C[6a]C[6a]2){1|H<1>,3|C<4>,5|C<3>}	120.6780	0.528	2	120.4547	0.471	7	120.4547	0.471	7	118.5653	3.662	64	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:B[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6]C[6a]B[6])(C[6a]C[6a]H)	C[6,6a](C[5,6]N[5,6]O[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]FF)(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6]C[6a]B[6])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|F<1>,2|H<1>,3|C<3>}	C[6,6a](C[5,6]N[5,6]O[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|B<4>,2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]FF)(C[6a]C[6a]2){1|H<1>,2|C<4>,6|C<3>}	120.8663	0.347	3	120.4547	0.471	7	120.4547	0.471	7	118.5653	3.662	64	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:B[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6]C[6a]B[6])(C[6a]C[6a]H)	C[6,6a](C[5,6]N[5,6]O[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]FF)(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6]C[6a]B[6])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|F<1>,2|H<1>,3|C<3>}	C[6,6a](C[5,6]N[5,6]O[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|B<4>,2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]FF)(C[6a]C[6a]2){2|Br<1>,1|H<1>,6|C<3>}	119.2370	0.000	1	120.4547	0.471	7	120.4547	0.471	7	118.5653	3.662	64	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:B[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6]C[6a]B[6])(C[6a]C[6a]H)	C[6,6a](C[5,6]N[5,6]O[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]FF)(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6]C[6a]B[6])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|F<1>,2|H<1>,3|C<3>}	C[6,6a](C[5,6]N[5,6]O[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|B<4>,2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]FF)(C[6a]C[6a]2){2|Cl<1>,1|H<1>,6|C<3>}	119.9910	0.000	1	120.4547	0.471	7	120.4547	0.471	7	118.5653	3.662	64	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:B[5]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6]B[5]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(B[5]O[5]2)	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6]B[5]C[6])(C[6a]C[6a]H){2|O<2>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|B<3>,1|C<4>,3|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(B[5]O[5]2){1|H<1>,2|C<4>,4|C<3>}	118.8940	0.300	2	118.8940	0.090	2	118.8940	0.090	2	118.5653	3.662	64	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)(C[6a]C[6a]2){3|H<1>,6|C<3>}	119.3480	0.000	1	119.3480	0.000	1	119.3480	0.000	1	118.5653	3.662	64	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:P[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]P[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(P[6]C[6,6a]C[6a]S)(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]P[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|S<1>,6|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|P<4>,3|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(P[6]C[6,6a]C[6a]S)(C[6a]C[6a]2){1|H<1>,2|F<1>,8|C<3>}	119.1050	0.000	1	119.1050	0.000	1	119.1050	0.000	1	118.5653	3.662	64	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[3]-4:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[3]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[3]C[3]2H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[3]C[6])(C[6a]C[6a]H){1|Cl<1>,2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|F<1>,1|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[3]C[3]2H)(C[6]C[6]H){4|C<3>,5|H<1>}	119.7960	0.000	1	119.7960	0.000	1	119.7960	0.000	1	118.5653	3.662	64	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[3]-4:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[3]C[6])(C[6a]C[6a]F)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]N)(C[6]C[6]O)	N[6](C[6,6a]C[6,6a]C[6a])(C[3]C[3]2H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[3]C[6])(C[6a]C[6a]F){1|O<2>,2|C<3>,2|C<4>,2|H<1>,2|N<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]N)(C[6]C[6]O){1|C<4>,2|F<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[3]C[3]2H)(C[6]C[6]H){1|F<1>,4|C<3>,4|H<1>}	118.4705	0.104	2	118.4705	0.011	2	118.2410	0.105	10	118.5653	3.662	64	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[3]-4:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[3]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O)	N[6](C[6,6a]C[6,6a]C[6a])(C[3]C[3]2H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[3]C[6])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|F<1>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[3]C[3]2H)(C[6]C[6]H){4|C<3>,5|H<1>}	118.1836	0.339	8	118.1836	0.115	8	118.2410	0.105	10	118.5653	3.662	64	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]H){1|C<4>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(C[6a]C[6a]2){3|H<1>,8|C<3>}	118.4060	0.000	1	118.4060	0.000	1	118.4060	0.000	1	118.5653	3.662	64	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]Zn)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O)(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6a]C[6])(C[6a]C[6a]H){1|Zn<4>,1|O<2>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]Zn){1|C<4>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O)(C[6a]C[6a]2){1|N<2>,1|N<3>,3|H<1>,6|C<3>}	119.1290	0.000	1	119.1290	0.000	1	119.1290	0.000	1	118.5653	3.662	64	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:3:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]C)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6]){1|C<2>,2|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]C){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2){2|H<1>,9|C<3>}	119.0390	0.000	1	119.0390	0.000	1	119.0390	0.000	1	118.5653	3.662	64	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:3:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:In[4]-4:C[6]-3:	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6]In[4]C[6])	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(In[4]Se[4,6]Se[4]Cl)(C[6]C[6]H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6]In[4]C[6]){1|Cl<1>,1|Se<2>,1|Se<3>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|In<4>,1|N<2>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(In[4]Se[4,6]Se[4]Cl)(C[6]C[6]H){1|In<4>,1|In<6>,1|H<1>,1|N<2>,3|C<3>}	122.6500	0.000	1	122.6500	0.000	1	122.6500	0.000	1	118.5653	3.662	64	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:3:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:In[6]-4:C[6]-3:	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6]In[6]C[6])	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(In[6]Se[4,6]Se[6]Cl)(C[6]C[6]H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6]In[6]C[6]){1|Cl<1>,1|Se<2>,1|Se<3>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|In<4>,1|N<2>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(In[6]Se[4,6]Se[6]Cl)(C[6]C[6]H){1|In<4>,1|In<5>,1|In<6>,1|H<1>,1|N<2>,3|C<3>}	120.7830	0.000	1	120.7830	0.000	1	120.7830	0.000	1	118.5653	3.662	64	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CH3)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,2|C<3>,4|H<1>}	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CH3){1|H<1>,1|N<3>,4|C<3>}	120.3690	0.000	1	120.3690	0.000	1	120.3690	0.000	1	119.7336	2.301	95	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[5,6]C[5,6]N[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(SC[6a]OO)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[6,6a](C[5,6]C[5,6]N[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<2>,1|C<3>,1|O<2>,1|S<4>,2|C<4>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(SC[6a]OO){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	118.9780	0.000	1	119.3475	0.273	2	119.3270	0.138	3	119.7336	2.301	95	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[5,6]C[5,6]N[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(SC[6a]OO)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[6,6a](C[5,6]C[5,6]N[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|O<2>,1|S<4>,2|C<3>,2|C<4>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(SC[6a]OO){1|C<4>,1|H<1>,4|C<3>}	119.7170	0.000	1	119.3475	0.273	2	119.3270	0.138	3	119.7336	2.301	95	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[5,6]C[5,6a]C[5,6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(SC[6a]OO)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){3|C<3>,4|H<1>}	C[6,6a](C[5,6]C[5,6a]C[5,6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|S<4>,2|C<4>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(SC[6a]OO){1|C<4>,1|H<1>,3|C<3>}	119.2860	0.000	1	119.2860	0.000	1	119.3270	0.138	3	119.7336	2.301	95	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[6,6]C[6,6]O[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CH)(SCOO)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6]C[6,6]O[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<3>,1|S<4>,2|H<1>,3|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CH)(SCOO){1|C<4>,1|H<1>,3|C<3>}	119.1960	0.000	1	119.1960	0.000	1	119.1960	0.000	1	119.7336	2.301	95	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(CH3)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(CH3){1|H<1>,4|C<3>}	119.8040	0.000	1	119.8040	0.000	1	119.8040	0.000	1	119.7336	2.301	95	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|H<1>,1|S<4>,2|C<4>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(SC[6a]OO){1|H<1>,4|C<3>}	119.1340	0.000	1	119.2485	0.026	2	119.2485	0.026	2	119.7336	2.301	95	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,1|S<4>,3|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(SC[6a]OO){1|H<1>,4|C<3>}	119.3630	0.000	1	119.2485	0.026	2	119.2485	0.026	2	119.7336	2.301	95	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:S[6]-4:C-4:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]S[6]C)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6,6a]OO)(CCHH)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]S[6]C){1|C<4>,1|H<1>,2|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,1|I<1>,1|S<4>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6,6a]OO)(CCHH){1|H<1>,4|C<3>}	121.3090	0.000	1	121.2245	0.014	2	121.0053	0.151	3	119.7336	2.301	95	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:S[6]-4:C-4:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]S[6]C)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6,6a]OO)(CCHH)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]S[6]C){1|C<4>,1|H<1>,2|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,1|S<4>,3|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6,6a]OO)(CCHH){1|H<1>,4|C<3>}	121.1400	0.000	1	121.2245	0.014	2	121.0053	0.151	3	119.7336	2.301	95	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:S[6]-4:C-4:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]S[6]C)	C[6,6a](C[6,6a]C[6,6a]O[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6,6a]OO)(CH3)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]S[6]C){1|O<2>,2|C<3>,2|H<1>,2|O<1>}	C[6,6a](C[6,6a]C[6,6a]O[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6,6a]OO)(CH3){1|H<1>,4|C<3>}	120.5670	0.000	1	120.5670	0.000	1	121.0053	0.151	3	119.7336	2.301	95	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(N[6]C[5,6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5,6]O)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(CCHH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(N[6]C[5,6]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5,6]O)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|N<3>,3|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(CCHH){1|Br<1>,1|S<2>,3|C<3>,3|C<4>}	120.0000	0.000	1	120.0000	0.000	1	120.0000	0.000	1	119.7336	2.301	95	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]C){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6]O)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(CH3){3|H<1>,6|C<3>}	120.9230	0.000	2	120.9230	0.000	2	120.0904	0.911	5	119.7336	2.301	95	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[6,6]O)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6]H)(CN[5]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[6,6]O)(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6]H)(CN[5]HH){2|C<4>,3|C<3>,3|H<1>}	118.5950	0.000	1	118.5950	0.000	1	120.0904	0.911	5	119.7336	2.301	95	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[6,6]O)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]O[6]H)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]C){1|C<3>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[6,6]O)(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]O[6]H)(CH3){1|H<1>,2|C<4>,3|C<3>}	120.0055	0.071	2	120.0055	0.005	2	120.0904	0.911	5	119.7336	2.301	95	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:P-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]P)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6])(PO3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]P){1|H<1>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|P<4>,2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6])(PO3){2|H<1>,7|C<3>}	118.8450	0.000	1	118.9580	0.026	2	118.9580	0.026	2	119.7336	2.301	95	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:P-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]P)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6])(PO3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]P){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|P<4>,2|C<4>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6])(PO3){2|H<1>,7|C<3>}	119.0710	0.000	1	118.9580	0.026	2	118.9580	0.026	2	119.7336	2.301	95	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]C)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]C)(C[6a]C[6a]H){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(SC[6a]OO){1|C<4>,1|H<1>,4|C<3>}	119.2400	0.000	1	119.2400	0.000	1	118.7220	0.718	9	119.7336	2.301	95	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|S<4>,2|H<1>,3|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(SC[6a]OO){1|H<1>,2|C<4>,3|C<3>}	117.2700	0.000	1	117.2700	0.000	1	118.7220	0.718	9	119.7336	2.301	95	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6]C)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6]C)(C[6a]C[6a]H){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(SC[6a]OO){1|C<4>,1|H<1>,4|C<3>}	119.3435	0.511	2	119.3435	0.261	2	118.7220	0.718	9	119.7336	2.301	95	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]C){1|C<4>,1|S<4>,3|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO){2|H<1>,3|C<3>}	118.4420	0.000	1	118.4420	0.000	1	118.7220	0.718	9	119.7336	2.301	95	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|S<4>,2|C<4>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(SC[6a]OO){1|C<4>,1|H<1>,3|C<3>}	117.7490	0.000	1	117.7490	0.000	1	118.7220	0.718	9	119.7336	2.301	95	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|S<4>,3|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO){2|H<1>,3|C<3>}	118.7170	0.000	1	119.0367	0.504	3	118.7220	0.718	9	119.7336	2.301	95	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|S<4>,2|C<4>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO){1|C<4>,1|H<1>,3|C<3>}	119.8500	0.000	1	119.0367	0.504	3	118.7220	0.718	9	119.7336	2.301	95	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|S<4>,3|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO){2|H<1>,3|C<3>}	118.5430	0.000	1	119.0367	0.504	3	118.7220	0.718	9	119.7336	2.301	95	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,2|C<4>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]HH){2|H<1>,5|C<3>}	119.2190	0.000	1	119.2190	0.000	1	119.4515	1.684	8	119.7336	2.301	95	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]N)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]N){1|C<3>,3|C<4>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]HH){1|C<4>,2|H<1>,5|C<3>}	121.1680	0.000	1	121.1680	0.000	1	119.4515	1.684	8	119.7336	2.301	95	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CC[6a]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O){2|C<3>,2|C<4>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CC[6a]HH){2|H<1>,4|C<3>}	120.4380	0.000	1	120.4380	0.000	1	119.4515	1.684	8	119.7336	2.301	95	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,2|C<4>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]HH){3|C<3>,3|H<1>}	120.4890	0.000	1	120.4890	0.000	1	119.4515	1.684	8	119.7336	2.301	95	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(CH3){1|H<1>,1|O<1>,5|C<3>}	117.0980	0.000	1	117.0980	0.000	1	119.4515	1.684	8	119.7336	2.301	95	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(CCHH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,2|C<4>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(CCHH){2|H<1>,5|C<3>}	119.2770	0.000	1	119.2770	0.000	1	119.4515	1.684	8	119.7336	2.301	95	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(CC[6a]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){2|C<3>,2|C<4>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(CC[6a]HH){1|H<1>,4|C<3>}	118.3760	0.000	1	118.3760	0.000	1	119.4515	1.684	8	119.7336	2.301	95	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,2|C<4>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(CH3){2|H<1>,3|C<3>}	119.5470	0.000	1	119.5470	0.000	1	119.4515	1.684	8	119.7336	2.301	95	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]2)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]2){1|C<4>,1|S<4>,3|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO){2|H<1>,3|C<3>}	118.7810	0.300	2	118.7810	0.090	2	118.6569	0.372	8	119.7336	2.301	95	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|Cl<1>,1|C<4>,1|H<1>,1|O<2>,1|S<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO){1|H<1>,1|O<2>,4|C<3>}	119.6000	0.000	1	119.6000	0.000	1	118.6569	0.372	8	119.7336	2.301	95	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(SC[6a]OO){1|H<1>,4|C<3>}	118.4870	0.000	1	118.4870	0.000	1	118.6569	0.372	8	119.7336	2.301	95	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,1|S<4>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(SC[6a]OO){1|H<1>,1|N<3>,5|C<3>}	118.4950	0.000	1	118.0995	0.313	2	118.6569	0.372	8	119.7336	2.301	95	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(SC[6a]OO){2|H<1>,5|C<3>}	117.7040	0.000	1	118.0995	0.313	2	118.6569	0.372	8	119.7336	2.301	95	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O){1|Br<1>,1|C<4>,1|H<1>,1|O<2>,1|S<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO){1|H<1>,1|O<2>,4|C<3>}	118.1450	0.000	1	118.1450	0.000	1	118.6569	0.372	8	119.7336	2.301	95	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|F<1>,1|S<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(SC[6a]OO){1|F<1>,1|H<1>,6|C<3>}	119.2620	0.000	1	119.2620	0.000	1	118.6569	0.372	8	119.7336	2.301	95	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:S[6]-4:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CCHH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]C){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CCHH){1|H<1>,4|C<3>}	120.0600	0.000	1	120.0600	0.000	1	120.9035	0.538	31	119.7336	2.301	95	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:S[6]-4:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]N)	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CCHH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]C){1|C<3>,1|C<4>,1|N<2>,2|H<1>,2|O<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]N){1|C<3>,1|C<4>,1|S<4>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CCHH){3|C<3>,3|H<1>}	120.7335	0.129	2	120.7335	0.017	2	120.9035	0.538	31	119.7336	2.301	95	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:S[6]-4:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]N)	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]C){1|C<3>,1|C<4>,1|N<2>,2|H<1>,2|O<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]N){1|Br<1>,1|C<3>,1|C<4>,1|S<4>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CH3){3|C<3>,3|H<1>}	121.1968	0.709	5	121.2715	0.228	14	120.9035	0.538	31	119.7336	2.301	95	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:S[6]-4:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]N)	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]C){1|C<3>,1|C<4>,1|N<2>,2|H<1>,2|O<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]N){1|C<3>,1|C<4>,1|S<4>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CH3){3|C<3>,3|H<1>}	121.1950	0.522	3	121.2715	0.228	14	120.9035	0.538	31	119.7336	2.301	95	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:S[6]-4:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]N)	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]C){1|C<3>,1|C<4>,1|N<2>,2|H<1>,2|O<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]N){1|Cl<1>,1|C<3>,1|C<4>,1|S<4>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CH3){1|Cl<1>,2|H<1>,3|C<3>}	121.3720	0.246	6	121.2715	0.228	14	120.9035	0.538	31	119.7336	2.301	95	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:S[6]-4:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O)	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CCHH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]C){1|C<3>,1|C<4>,2|H<1>,3|O<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O){1|Br<1>,1|C<3>,1|C<4>,1|S<4>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CCHH){3|C<3>,3|H<1>}	121.0240	0.000	1	120.6640	1.221	8	120.9035	0.538	31	119.7336	2.301	95	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:S[6]-4:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O)	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CCHH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]C){1|C<3>,1|C<4>,2|H<1>,3|O<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|C<4>,1|S<4>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CCHH){3|C<3>,3|H<1>}	120.8800	0.000	1	120.6640	1.221	8	120.9035	0.538	31	119.7336	2.301	95	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:S[6]-4:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O)	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CCHH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]C){1|C<3>,1|C<4>,2|H<1>,3|O<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O){2|Br<1>,1|C<3>,1|C<4>,1|S<4>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CCHH){2|Br<1>,1|H<1>,3|C<3>}	122.4250	0.000	1	120.6640	1.221	8	120.9035	0.538	31	119.7336	2.301	95	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:S[6]-4:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O)	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CCHH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]C){1|C<3>,1|C<4>,2|H<1>,3|O<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O){2|Cl<1>,1|C<3>,1|C<4>,1|S<4>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CCHH){2|Cl<1>,1|H<1>,3|C<3>}	121.5920	0.000	1	120.6640	1.221	8	120.9035	0.538	31	119.7336	2.301	95	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:S[6]-4:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O)	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CCHH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]C){1|O<2>,2|C<3>,2|H<1>,2|O<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|S<4>,2|C<4>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CCHH){1|C<4>,1|H<1>,3|C<3>}	119.9680	0.000	1	120.6640	1.221	8	120.9035	0.538	31	119.7336	2.301	95	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:S[6]-4:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O)	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CCHH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]C){1|O<2>,2|C<3>,2|H<1>,2|O<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CCHH){1|H<1>,4|C<3>}	119.4645	1.009	2	120.6640	1.221	8	120.9035	0.538	31	119.7336	2.301	95	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:S[6]-4:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O)	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CCHH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]C){2|C<3>,2|H<1>,3|O<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|S<4>,2|C<4>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CCHH){1|C<4>,1|H<1>,3|C<3>}	120.4940	0.000	1	120.6640	1.221	8	120.9035	0.538	31	119.7336	2.301	95	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:S[6]-4:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O)	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]C){1|C<3>,1|C<4>,2|H<1>,3|O<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O){1|Br<1>,1|C<3>,1|C<4>,1|S<4>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CH3){3|C<3>,3|H<1>}	120.7570	0.000	1	120.5613	0.157	6	120.9035	0.538	31	119.7336	2.301	95	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:S[6]-4:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O)	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]C){1|C<3>,1|C<4>,2|H<1>,3|O<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O){1|Br<1>,2|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|S<4>}	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CH3){2|Cl<1>,1|H<1>,3|C<3>}	121.1020	0.000	1	120.5613	0.157	6	120.9035	0.538	31	119.7336	2.301	95	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:S[6]-4:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O)	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]C){1|C<3>,1|C<4>,2|H<1>,3|O<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|C<4>,1|S<4>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CH3){3|C<3>,3|H<1>}	120.6280	0.000	1	120.5613	0.157	6	120.9035	0.538	31	119.7336	2.301	95	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:S[6]-4:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O)	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]C){1|C<3>,1|C<4>,2|H<1>,3|O<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O){3|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|S<4>}	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CH3){2|Br<1>,1|H<1>,3|C<3>}	120.6450	0.000	1	120.5613	0.157	6	120.9035	0.538	31	119.7336	2.301	95	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:S[6]-4:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O)	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]C){1|O<2>,2|C<3>,2|H<1>,2|O<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CH3){1|H<1>,4|C<3>}	120.1180	0.223	2	120.5613	0.157	6	120.9035	0.538	31	119.7336	2.301	95	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6,6]-4:C-4:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CH3)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6]C){1|C<2>,1|C<3>,2|H<1>,3|C<4>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6]C){1|C<2>,1|C<3>,2|H<1>,3|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CH3){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	119.6616	0.641	5	119.6616	0.411	5	119.6616	0.411	5	119.7336	2.301	95	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6,6]-4:S-4:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6]S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(N[6]C[6,6]S)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6]S){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(N[6]C[6,6]S){1|C<3>,1|S<4>,2|C<4>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(SC[6a]OO){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	114.2390	0.000	1	114.2390	0.000	1	115.7355	5.074	4	119.7336	2.301	95	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6,6]-4:S-4:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6]S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6]S)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6]S){1|C<3>,1|N<3>,1|S<4>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6]S){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(SC[6a]OO){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	119.0900	0.000	1	116.2343	6.118	3	115.7355	5.074	4	119.7336	2.301	95	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6,6]-4:S-4:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6]S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6]S)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6]S){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6]S){1|C<3>,1|N<3>,1|S<4>,2|C<4>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(SC[6a]OO){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	114.7660	0.000	1	116.2343	6.118	3	115.7355	5.074	4	119.7336	2.301	95	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6,6]-4:S-4:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6]S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6]S)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6]S){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6]S){1|C<3>,1|S<4>,2|C<4>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(SC[6a]OO){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	114.8470	0.000	1	116.2343	6.118	3	115.7355	5.074	4	119.7336	2.301	95	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6,6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6,6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6,6a]H)(N[6]C[6]C){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6,6a]H)(N[6]C[6]C){2|C<3>,2|C<4>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH){1|N<3>,2|C<3>,3|H<1>}	120.1670	0.000	1	119.0320	2.576	2	118.1517	1.961	4	119.7336	2.301	95	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6,6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6,6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6,6a]H)(N[6]C[6]C){2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6,6a]H)(N[6]C[6]C){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH){1|N<3>,2|C<3>,3|H<1>}	117.8970	0.000	1	119.0320	2.576	2	118.1517	1.961	4	119.7336	2.301	95	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]H)(CC[6a]HH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C){3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]H)(CC[6a]HH){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	117.5940	0.000	1	117.5940	0.000	1	118.1517	1.961	4	119.7336	2.301	95	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCHH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCHH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	116.9490	0.000	1	116.9490	0.000	1	118.1517	1.961	4	119.7336	2.301	95	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]S)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]S){1|S<4>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO){1|H<1>,1|N<3>,3|C<3>}	121.0570	0.030	3	121.0570	0.001	3	121.0570	0.001	3	119.7336	2.301	95	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:Si[6]-4:C-4:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]Si[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(Si[6]Si[5]C[6]Cl)(CCHH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]Si[6]C){1|Cl<1>,1|Si<4>,1|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C){1|Si<4>,1|C<3>,2|H<1>,3|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(Si[6]Si[5]C[6]Cl)(CCHH){1|Cl<1>,1|H<1>,2|C<3>,2|C<4>,3|N<3>}	119.2740	0.000	1	119.2740	0.000	1	119.2740	0.000	1	119.7336	2.301	95	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[6a]H)(CCHH)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){3|H<1>,4|C<3>}	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|H<1>,2|C<4>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[6a]H)(CCHH){1|H<1>,1|N<3>,5|C<3>}	118.4370	0.000	1	118.4370	0.000	1	118.4370	0.000	1	119.7336	2.301	95	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]CH)(CH3)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[6]C[6]C){1|C<4>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]CH)(CH3){5|C<3>}	120.6765	0.296	2	120.6765	0.088	2	120.6765	0.088	2	119.7336	2.301	95	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:5:3:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:Si-5:C[6]-3:	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]Si)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(SiC[6a]Cl3)(C[6]C[6]H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]Si){3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Si<5>,1|N<2>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(SiC[6a]Cl3)(C[6]C[6]H){1|H<1>,1|N<2>,3|C<3>}	123.9920	0.000	1	123.9920	0.000	1	123.9920	0.000	1	123.9920	0.000	1	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	4:3:1:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	B[6]-4:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]N[5,6]C[6a])(N[6]B[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(N[5,6]N[5,6]C[5])(C[6a]C[6a]H)	N[6](B[6]N[5,6]C[6a]2)(C[6,6a]C[6,6a]2)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]N[5,6]C[6a])(N[6]B[6]H){1|B<4>,2|H<1>,2|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6])(N[5,6]N[5,6]C[5])(C[6a]C[6a]H){1|B<4>,1|N<3>,3|C<3>,3|H<1>}	N[6](B[6]N[5,6]C[6a]2)(C[6,6a]C[6,6a]2)(H){2|N<3>,7|C<3>}	120.5510	1.305	2	120.5510	1.704	2	120.5510	1.704	2	118.9269	2.478	8	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	4:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5,6]-4:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[5,6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[5,6]H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(H){1|H<1>,1|N<3>,1|O<1>,6|C<3>}	119.3090	0.000	1	119.3090	0.000	1	119.3090	0.000	1	118.9269	2.478	8	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	4:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[5,6]H)	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[5,6]H){2|H<1>,5|C<3>}	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	N[6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6,6a]C[6,6a]C[6a])(H){1|H<1>,1|O<1>,2|N<3>,5|C<3>}	119.4920	0.000	1	119.4920	0.000	1	119.4920	0.000	1	118.9269	2.478	8	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	4:3:1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5,6,6]-4:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[5,6,6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	N[6](C[5,6,6]C[5,5,6]C[5,6]N[6])(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[5,6,6]H)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|C<4>,4|H<1>}	N[6](C[5,6,6]C[5,5,6]C[5,6]N[6])(C[6,6a]C[6,6a]C[6a])(H){2|H<1>,3|C<3>,6|C<4>}	118.8755	1.227	2	118.8755	1.505	2	118.8755	1.505	2	118.9269	2.478	8	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	4:3:1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[5,5,6,6]-4:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[5,5,6,6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[5,5,6]H)(C[6a]C[6a]H)	N[6](C[5,5,6,6]C[5,6,6a]C[5,5,6]2)(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[5,5,6,6]H)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[5,5,6]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	N[6](C[5,5,6,6]C[5,6,6a]C[5,5,6]2)(C[6,6a]C[6,6a]C[6a])(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>,6|C<3>}	116.9590	0.000	1	116.9590	0.000	1	116.9590	0.000	1	118.9269	2.478	8	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	4:3:1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[5,5,6]-4:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[5,5,6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[5,5,6,6]H)(C[6a]C[6a]H)	N[6](C[5,5,6]C[5,5,6,6]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[5,5,6]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[5,5,6,6]H)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	N[6](C[5,5,6]C[5,5,6,6]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6a])(H){1|H<1>,1|N<3>,2|C<4>,5|C<3>}	116.8020	0.000	1	116.8020	0.000	1	116.8020	0.000	1	118.9269	2.478	8	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]H)	C[6,6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6a]N[6])(C[6]C[6,6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H)	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]H){2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6a]N[6])(C[6]C[6,6]C[6]H){1|N<2>,1|N<3>,2|C<4>,3|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H){2|C<4>,3|C<3>,3|H<1>}	119.1190	0.000	1	119.1190	0.000	1	119.1190	0.000	1	119.3658	1.333	59	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:B[6]-4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]B[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(B[6]O[6]FF)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]N)(H)	C[6,6a](C[6,6a]C[6a]B[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|N<3>,1|O<2>,2|F<1>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(B[6]O[6]FF){2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]N)(H){1|B<4>,1|H<1>,2|C<3>}	118.8090	0.000	1	118.8090	0.000	1	118.8090	0.000	1	119.3658	1.333	59	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CC)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<4>,1|I<1>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H){2|C<3>,2|C<4>,2|H<1>}	119.4990	0.000	1	119.4990	0.000	1	118.8594	0.644	39	119.3658	1.333	59	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CC)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|I<1>,2|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H){1|C<4>,2|C<3>,3|H<1>}	120.0510	0.000	1	120.0510	0.000	1	118.8594	0.644	39	119.3658	1.333	59	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|Cl<1>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(H){1|C<4>,1|H<1>,5|C<3>}	118.6840	0.000	1	118.6840	0.000	1	118.8594	0.644	39	119.3658	1.333	59	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CO)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<4>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CO){2|C<3>,5|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H){1|C<4>,2|C<3>,3|H<1>}	120.4570	0.000	1	120.4570	0.000	1	118.8594	0.644	39	119.3658	1.333	59	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|Cl<1>,2|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H){1|C<4>,2|C<3>,3|H<1>}	119.5365	0.059	2	118.9972	0.271	16	118.8594	0.644	39	119.3658	1.333	59	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){2|C<3>,5|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H){1|C<4>,2|C<3>,3|H<1>}	118.8897	0.518	13	118.9972	0.271	16	118.8594	0.644	39	119.3658	1.333	59	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|O<2>,2|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H){1|C<4>,2|C<3>,3|H<1>}	119.3170	0.000	1	118.9972	0.271	16	118.8594	0.644	39	119.3658	1.333	59	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]CH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]CH){3|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H){1|C<4>,1|H<1>,3|C<3>}	117.2085	0.200	2	117.3227	0.059	3	118.8594	0.644	39	119.3658	1.333	59	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]CH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|S<4>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	117.5510	0.000	1	117.3227	0.059	3	118.8594	0.644	39	119.3658	1.333	59	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]CH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]S)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,1|S<1>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]CH){3|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]S)(H){1|C<4>,1|H<1>,3|C<3>}	118.4170	0.007	2	118.1610	0.197	3	118.8594	0.644	39	119.3658	1.333	59	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]CH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]S)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,1|S<1>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]CH){3|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]S)(H){1|C<4>,1|H<1>,3|C<3>}	117.6490	0.000	1	118.1610	0.197	3	118.8594	0.644	39	119.3658	1.333	59	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]CO)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]CO){3|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H){1|C<4>,1|H<1>,3|C<3>}	118.8640	0.072	2	118.8640	0.005	2	118.8594	0.644	39	119.3658	1.333	59	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]HH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<4>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(H){1|H<1>,2|C<3>,2|C<4>}	119.1360	0.000	1	119.1360	0.000	1	118.8594	0.644	39	119.3658	1.333	59	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]HH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|N<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]HH){2|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|C<4>,2|C<3>,2|H<1>}	118.8540	0.000	1	118.8540	0.000	1	118.8594	0.644	39	119.3658	1.333	59	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]HH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|N<3>,1|O<1>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|Cl<1>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H){1|C<4>,1|H<1>,3|C<3>}	118.8570	0.000	1	118.4983	0.110	3	118.8594	0.644	39	119.3658	1.333	59	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]HH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|N<3>,1|O<1>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]HH){3|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H){1|C<4>,1|H<1>,3|C<3>}	118.3190	0.163	2	118.4983	0.110	3	118.8594	0.644	39	119.3658	1.333	59	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]HO)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|N<3>,1|O<2>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]HO){2|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|C<4>,2|C<3>,2|H<1>}	119.0470	0.000	1	119.0470	0.000	1	118.8594	0.644	39	119.3658	1.333	59	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]CC)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<2>,1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]CC){1|Cl<1>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(H){1|C<4>,1|H<1>,2|C<3>}	118.8080	0.485	2	118.9750	0.201	3	118.8594	0.644	39	119.3658	1.333	59	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]CC)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]CC){2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(H){1|C<4>,1|H<1>,2|C<3>}	119.3090	0.000	1	118.9750	0.201	3	118.8594	0.644	39	119.3658	1.333	59	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N[6])(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N[6])(N[6]C[6]H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,2|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	118.1510	0.000	1	118.1510	0.000	1	118.8594	0.644	39	119.3658	1.333	59	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]O)(C[6]C[6]HH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H){1|O<2>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<2>,1|O<2>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(H){1|C<2>,1|C<4>,1|O<2>,4|C<3>}	121.0840	0.000	1	121.0840	0.000	1	118.8594	0.644	39	119.3658	1.333	59	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]N[6]OO)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<2>,2|O<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]N[6]OO){1|S<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(H){1|H<1>,1|S<4>,2|C<3>}	120.0850	2.376	2	120.0850	5.645	2	120.7513	0.882	15	119.3658	1.333	59	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]N[6]OO)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H){1|Cl<1>,1|C<3>,1|N<2>,2|H<1>,2|O<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]N[6]OO){1|S<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|H<1>,1|S<4>,2|C<3>}	121.1090	0.787	6	121.1090	0.620	6	120.7513	0.882	15	119.3658	1.333	59	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]N[6]OO)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]N)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>,2|O<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]N[6]OO){1|I<1>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]N)(H){1|H<1>,1|S<4>,2|C<3>}	120.3010	0.000	1	120.6300	0.301	4	120.7513	0.882	15	119.3658	1.333	59	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]N[6]OO)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]N)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,2|H<1>,2|N<2>,2|O<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]N[6]OO){1|Cl<1>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]N)(H){1|H<1>,1|S<4>,2|C<3>}	120.7397	0.616	3	120.6300	0.301	4	120.7513	0.882	15	119.3658	1.333	59	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]N[6]OO)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|N<2>,1|O<2>,2|H<1>,2|O<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]N[6]OO){1|Cl<1>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H){1|H<1>,1|S<4>,2|C<3>}	121.4160	0.000	1	120.9150	0.502	2	120.7513	0.882	15	119.3658	1.333	59	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]N[6]OO)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|N<2>,1|O<2>,2|H<1>,2|O<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]N[6]OO){2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H){1|H<1>,1|S<4>,2|C<3>}	120.4140	0.000	1	120.9150	0.502	2	120.7513	0.882	15	119.3658	1.333	59	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]N[6]OO)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]S)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|N<2>,1|S<2>,2|H<1>,2|O<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]N[6]OO){1|Cl<1>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]S)(H){1|H<1>,1|S<4>,2|C<3>}	120.0950	0.000	1	120.0950	0.000	1	120.7513	0.882	15	119.3658	1.333	59	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(N[6]N[6]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6]C[6]CH)	N[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(N[6]N[6]H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6]C[6]CH){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	118.3700	0.000	1	118.3700	0.000	1	118.3700	0.000	1	119.3658	1.333	59	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6]C[6,6a]CH)	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6]C[6,6a]CH){3|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(H){1|C<4>,2|H<1>,4|C<3>}	119.7480	0.291	2	119.7480	0.085	2	119.7480	0.085	2	119.3658	1.333	59	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6a]C[6])(N[6]C[6a]C[6])	C[6,6a](C[6,6a]C[5a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	N[6](C[6,6a]C[5a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]O)	C[6,6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6a]C[6])(N[6]C[6a]C[6]){1|C<4>,1|O<1>,1|O<2>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[5a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){3|H<1>,4|C<3>}	N[6](C[6,6a]C[5a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]O){1|C<4>,4|H<1>,5|C<3>}	119.3490	0.000	1	119.3490	0.000	1	119.3490	0.000	1	119.9017	1.117	9	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CN[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){3|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CN[6]O){1|C<4>,2|C<3>,3|H<1>}	119.3750	0.000	1	119.3750	0.000	1	119.3750	0.000	1	119.9017	1.117	9	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[5a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5a,6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[5a,6a]C[5a,6a]2)(C[6,6a]C[6a]N[6])(C[6]C[6,6a]CC)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[5a,6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|H<1>,2|C<4>,6|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]2)(C[6,6a]C[6a]N[6])(C[6]C[6,6a]CC){1|H<1>,1|N<3>,6|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|C<4>,4|H<1>,6|C<3>}	121.1650	0.000	1	121.1650	0.000	1	121.1650	0.000	1	119.9017	1.117	9	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]N[6])(C[6]C[6,6a]CC)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6,6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,2|C<4>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]N[6])(C[6]C[6,6a]CC){1|C<4>,2|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|C<4>,4|H<1>,6|C<3>}	121.3575	0.004	2	121.3575	0.000	2	121.3575	0.000	2	119.9017	1.117	9	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[5a,6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[5a,6a]H)(C[6]C[6,6a]CC)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[5a,6a]H){1|H<1>,1|N<3>,2|C<4>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[5a,6a]H)(C[6]C[6,6a]CC){1|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|C<4>,4|H<1>,6|C<3>}	118.9000	0.000	1	118.9000	0.000	1	118.9000	0.000	1	119.9017	1.117	9	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(C[6]C[6]HH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(C[6]C[6]HH){3|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]O){1|C<4>,4|C<3>,5|H<1>}	119.3950	0.000	1	119.3950	0.000	1	119.2037	0.028	3	119.9017	1.117	9	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]N[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<1>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){3|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]N[6a])(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	119.1080	0.027	2	119.1080	0.001	2	119.2037	0.028	3	119.9017	1.117	9	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(N[6]C[6]C){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|Br<1>,2|C<3>,2|C<4>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]HH){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	118.3860	0.000	1	118.3860	0.000	1	119.0788	0.843	21	118.6173	1.789	31	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]F)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]F)(N[6]C[6]C){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,1|H<1>,1|S<4>,2|C<3>,2|F<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3){1|C<4>,1|F<1>,1|H<1>,1|S<4>,2|C<3>}	119.7010	0.000	1	119.7010	0.000	1	119.0788	0.843	21	118.6173	1.789	31	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CC)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCCH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|B<3>,1|C<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCCH){1|C<4>,2|C<3>,2|H<1>}	119.3270	0.000	1	119.3270	0.000	1	119.0788	0.843	21	118.6173	1.789	31	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC[6a]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	118.6770	0.348	2	118.6770	0.121	2	119.0788	0.843	21	118.6173	1.789	31	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	119.1400	0.000	1	119.1080	1.049	4	119.0788	0.843	21	118.6173	1.789	31	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,2|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3){1|C<4>,2|C<3>,3|H<1>}	120.5180	0.000	1	119.1080	1.049	4	119.0788	0.843	21	118.6173	1.789	31	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3){1|H<1>,1|S<4>,2|C<3>,2|C<4>}	118.1430	0.000	1	119.1080	1.049	4	119.0788	0.843	21	118.6173	1.789	31	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){2|C<3>,2|C<4>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3){2|C<3>,2|C<4>,2|H<1>}	118.6310	0.000	1	119.1080	1.049	4	119.0788	0.843	21	118.6173	1.789	31	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,1|F<1>,1|O<1>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|F<1>,1|H<1>,1|N<3>,2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]HH){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	119.1950	0.000	1	118.6610	0.570	2	119.0788	0.843	21	118.6173	1.789	31	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){2|C<4>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]HH){1|H<1>,2|C<4>,3|C<3>}	118.1270	0.000	1	118.6610	0.570	2	119.0788	0.843	21	118.6173	1.789	31	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]CC)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CC[6a]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]CC){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CC[6a]HH){1|C<4>,2|C<3>,2|H<1>}	120.8420	0.000	1	120.8235	0.001	2	119.0788	0.843	21	118.6173	1.789	31	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]CC)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CC[6a]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]CC){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CC[6a]HH){1|C<4>,2|C<3>,2|H<1>}	120.8050	0.000	1	120.8235	0.001	2	119.0788	0.843	21	118.6173	1.789	31	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]CH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]Ir)(CC[6a]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|Ir<6>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]CH){2|C<3>,2|C<4>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]Ir)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	118.0840	0.578	2	118.0840	0.335	2	119.0788	0.843	21	118.6173	1.789	31	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]CO)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CC[6a]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]CO){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CC[6a]HH){1|C<4>,2|C<3>,2|H<1>}	119.5470	0.304	2	119.5470	0.092	2	119.0788	0.843	21	118.6173	1.789	31	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]CP)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CC[6a]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|P<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]CP){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CC[6a]HH){1|C<4>,2|C<3>,2|H<1>}	120.0320	0.000	1	120.0320	0.000	1	119.0788	0.843	21	118.6173	1.789	31	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]HH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(CCCH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|N<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]HH){2|C<3>,2|C<4>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	118.2240	0.000	1	118.2240	0.000	1	119.0788	0.843	21	118.6173	1.789	31	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]HH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]Rh)(CCCH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|Rh<6>,1|C<3>,1|N<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]HH){2|C<3>,2|C<4>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]Rh)(CCCH){1|H<1>,2|C<3>,2|C<4>}	118.7340	0.000	1	118.7340	0.000	1	119.0788	0.843	21	118.6173	1.789	31	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]HO)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|N<2>,1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]HO){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(CH3){1|C<4>,1|H<1>,4|C<3>}	118.2330	0.000	1	118.2330	0.000	1	119.0788	0.843	21	118.6173	1.789	31	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:S-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|N<3>,1|S<4>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(SC[6a]OO){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	117.1355	0.021	2	117.1355	0.000	2	117.0149	0.174	8	118.6173	1.789	31	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:S-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,1|S<4>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(SC[6a]OO){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	116.6720	0.000	1	116.6720	0.000	1	117.0149	0.174	8	118.6173	1.789	31	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:S-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HN)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|S<4>,3|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(SC[6a]OO){1|C<4>,2|H<1>,3|C<3>}	116.7670	0.000	1	117.2215	0.413	2	117.0149	0.174	8	118.6173	1.789	31	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:S-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HN)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|S<4>,3|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(SC[6a]OO){1|C<4>,2|H<1>,3|C<3>}	117.6760	0.000	1	117.2215	0.413	2	117.0149	0.174	8	118.6173	1.789	31	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:S-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HO)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|Br<1>,1|S<4>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(SC[6a]OO){1|C<4>,2|H<1>,3|C<3>}	117.5110	0.000	1	117.5110	0.000	1	117.0149	0.174	8	118.6173	1.789	31	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:S-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]CH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]CH){1|S<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	116.6110	0.000	2	116.6110	0.000	2	117.0149	0.174	8	118.6173	1.789	31	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:B[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6a]B[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]HH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(B[6]N[6]FF)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6a]B[6])(C[6a]C[6a]H){1|N<4>,2|F<1>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|B<4>,2|C<3>,2|C<4>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(B[6]N[6]FF){1|H<1>,4|C<3>,5|C<4>}	118.4920	0.000	1	118.4920	0.000	1	118.4920	0.000	1	118.6173	1.789	31	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CC)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6a]C[6])(C[6a]C[6a]H){3|C<3>,3|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CC){1|C<4>,4|C<3>,5|H<1>}	121.8710	0.000	1	121.8710	0.000	1	121.8710	0.000	1	118.6173	1.789	31	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:4:1:	C[5a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[5a,6a]C[5a,6a]2)(C[6,6a]C[6a]C[6])(N[6]C[6]H)	C[6,6a](C[6,6a]C[5a,6a]N[6])(C[6a]C[6a]2)(C[6]C[6]HH)	N[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]HH)(H)	C[6,6a](C[5a,6a]C[5a,6a]2)(C[6,6a]C[6a]C[6])(N[6]C[6]H){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[5a,6a]N[6])(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,4|C<3>,4|H<1>}	N[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]HH)(H){1|C<4>,2|H<1>,3|C<3>}	121.6200	0.000	1	121.6200	0.000	1	121.6200	0.000	1	121.3264	1.223	56	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5a]C[6a])(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(C[6]C[6]HH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5a]C[6a])(N[6]C[6]H){1|C<2>,1|C<4>,1|S<2>,2|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H){1|C<4>,2|H<1>,3|C<3>}	120.0670	0.000	1	120.0670	0.000	1	120.7863	0.733	33	121.3264	1.223	56	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]Cl)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(C[6]C[6]HO)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]Cl)(N[6]C[6]H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(C[6]C[6]HO){1|Cl<1>,1|C<4>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	120.0240	0.000	1	120.0240	0.000	1	120.7863	0.733	33	121.3264	1.223	56	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(C[6]C[6]HH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(N[6]C[6]H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H){1|C<4>,2|C<3>,3|H<1>}	120.7205	0.839	2	120.7205	0.704	2	120.7863	0.733	33	121.3264	1.223	56	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]HH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(N[6]C[6]H){1|N<3>,2|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]HH){2|Br<1>,1|C<3>,1|H<1>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H){1|Br<1>,2|C<4>,4|C<3>}	120.3500	0.000	1	120.3500	0.000	1	120.7863	0.733	33	121.3264	1.223	56	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CC)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]H){1|C<3>,3|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<3>,1|I<1>,2|C<4>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H){2|C<3>,2|C<4>,2|H<1>}	120.6875	0.394	2	120.6875	0.155	2	120.7863	0.733	33	121.3264	1.223	56	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(C[6]C[6]HN)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,2|C<3>,2|H<1>,3|C<4>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(C[6]C[6]HN){1|C<3>,1|C<4>,5|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|C<4>,3|H<1>,4|C<3>}	120.9420	0.000	1	120.9420	0.000	1	120.7863	0.733	33	121.3264	1.223	56	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,3|H<1>,4|C<4>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H){1|C<4>,2|C<3>,3|H<1>}	121.8950	0.000	1	121.8950	0.000	1	120.7863	0.733	33	121.3264	1.223	56	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|F<1>,3|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,5|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H){1|C<4>,2|C<3>,3|H<1>}	120.3740	0.000	1	120.3740	0.000	1	120.7863	0.733	33	121.3264	1.223	56	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CN)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CN){1|Br<1>,1|C<3>,1|C<4>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H){1|C<4>,2|C<3>,3|H<1>}	121.7700	0.000	1	121.9925	0.099	2	120.7863	0.733	33	121.3264	1.223	56	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CN)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CN){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H){1|C<4>,2|C<3>,3|H<1>}	122.2150	0.000	1	121.9925	0.099	2	120.7863	0.733	33	121.3264	1.223	56	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CO)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CO){1|C<3>,1|C<4>,1|O<2>,2|F<1>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|C<4>,1|H<1>,2|F<1>,4|C<3>}	122.4930	0.000	1	122.4930	0.000	1	120.7863	0.733	33	121.3264	1.223	56	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,2|C<4>,5|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|Br<1>,1|C<3>,1|C<4>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H){1|C<4>,2|C<3>,3|H<1>}	122.8300	0.000	1	122.8300	0.000	1	120.7863	0.733	33	121.3264	1.223	56	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,5|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H){1|C<4>,2|C<3>,3|H<1>}	121.1553	0.461	3	120.7832	0.184	9	120.7863	0.733	33	121.3264	1.223	56	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|C<4>,6|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.4760	0.000	1	120.7832	0.184	9	120.7863	0.733	33	121.3264	1.223	56	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|C<4>,6|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H){1|C<4>,2|C<3>,3|H<1>}	120.2570	0.000	1	120.7832	0.184	9	120.7863	0.733	33	121.3264	1.223	56	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|C<4>,6|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,2|C<4>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H){1|C<4>,2|C<3>,3|H<1>}	120.7800	0.305	3	120.7832	0.184	9	120.7863	0.733	33	121.3264	1.223	56	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|C<4>,6|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){2|C<3>,2|C<4>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H){1|H<1>,2|C<4>,3|C<3>}	120.5100	0.000	1	120.7832	0.184	9	120.7863	0.733	33	121.3264	1.223	56	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,2|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|Br<1>,1|C<4>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|C<4>,2|H<1>,5|C<3>}	121.1180	0.000	1	120.4680	0.845	2	120.7863	0.733	33	121.3264	1.223	56	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,2|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	119.8180	0.000	1	120.4680	0.845	2	120.7863	0.733	33	121.3264	1.223	56	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HN)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HN){2|C<3>,2|C<4>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|C<4>,2|H<1>,5|C<3>}	120.9560	0.000	1	120.9560	0.000	1	120.7863	0.733	33	121.3264	1.223	56	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HO)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<4>,2|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]H)(H){1|Fe<10>,2|H<1>,3|C<3>,3|C<4>}	120.9310	0.000	1	120.9310	0.000	1	120.7863	0.733	33	121.3264	1.223	56	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HO)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<3>,1|C<4>,5|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H){1|C<4>,2|C<3>,3|H<1>}	121.3210	0.000	1	121.3210	0.000	1	120.7863	0.733	33	121.3264	1.223	56	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]HH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,2|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H){1|C<4>,1|H<1>,1|S<4>,4|C<3>}	119.8490	0.000	1	119.8490	0.000	1	120.7863	0.733	33	121.3264	1.223	56	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]CH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]CH){1|C<3>,1|C<4>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]C)(H){1|C<4>,1|H<1>,4|C<3>}	119.5910	0.000	1	119.5910	0.000	1	120.7863	0.733	33	121.3264	1.223	56	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]HH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]O[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<3>,1|C<4>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]O[6]H)(H){1|Mn<8>,1|H<1>,2|C<3>,3|C<4>}	118.9320	0.000	1	119.8463	0.969	3	120.7863	0.733	33	121.3264	1.223	56	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]HH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]O[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<3>,1|C<4>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]O[6]H)(H){1|Re<8>,1|H<1>,2|C<3>,3|C<4>}	120.3035	0.827	2	119.8463	0.969	3	120.7863	0.733	33	121.3264	1.223	56	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)(N[6]C[6]O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6,6a]H)(C[6]O[6]CC)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CC)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)(N[6]C[6]O){1|C<3>,1|H<1>,1|N<3>,1|O<2>,4|C<4>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6,6a]H)(C[6]O[6]CC){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CC)(O){1|C<4>,1|H<1>,2|C<3>}	120.0015	0.084	2	120.0015	0.007	2	120.0015	0.007	2	121.3264	1.223	56	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]N[6]OO)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,2|C<3>,2|O<1>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]N[6]OO){1|C<3>,1|C<4>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H){1|S<4>,2|H<1>,4|C<3>}	122.9375	0.527	2	122.9375	0.278	2	122.4339	0.393	18	121.3264	1.223	56	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]N[6]OO)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|N<3>,2|C<4>,2|H<1>,2|O<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]N[6]OO){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H){1|S<4>,2|C<3>,2|H<1>}	123.1200	0.000	1	122.7632	0.067	4	122.4339	0.393	18	121.3264	1.223	56	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]N[6]OO)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>,2|O<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]N[6]OO){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H){1|S<4>,2|C<3>,2|H<1>}	122.7460	0.000	1	122.7632	0.067	4	122.4339	0.393	18	121.3264	1.223	56	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]N[6]OO)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>,2|O<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]N[6]OO){1|C<3>,1|S<4>,2|C<4>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	122.5935	0.127	2	122.7632	0.067	4	122.4339	0.393	18	121.3264	1.223	56	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]N[6]OO)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H){1|Cl<1>,1|C<3>,1|N<3>,2|O<1>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]N[6]OO){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H){1|S<4>,2|C<3>,2|H<1>}	122.2402	0.662	12	122.2402	0.438	12	122.4339	0.393	18	121.3264	1.223	56	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:4:1:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HP)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HP)(H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]H){1|C<4>,2|P<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HP){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HP)(H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	122.4000	0.000	1	122.4000	0.000	1	122.4000	0.000	1	121.3264	1.223	56	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:4:1:	C[6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6,6a]H)(C[6]C[6]CC)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)	C[6,6a](C[6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]H){1|H<1>,1|N<3>,3|C<3>,5|C<4>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6,6a]H)(C[6]C[6]CC){2|C<3>,2|C<4>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H){1|C<4>,2|H<1>,3|C<3>}	120.5000	0.000	1	120.5000	0.000	1	120.5000	0.000	1	121.3264	1.223	56	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:4:3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]C)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	N[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(CC[6a]O)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]C){2|C<3>,3|C<4>,5|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(CC[6a]O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	115.7820	0.228	2	115.7820	0.052	2	115.6622	0.084	5	117.9205	2.059	40	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:4:3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]C)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	N[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(CC[6a]S)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]C){2|C<3>,3|C<4>,5|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(CC[6a]S){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	115.5075	0.450	2	115.5075	0.203	2	115.6622	0.084	5	117.9205	2.059	40	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:4:3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]C)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	N[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(CC[6a]Se)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]C){2|C<3>,3|C<4>,5|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(CC[6a]Se){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	115.7320	0.000	1	115.7320	0.000	1	115.6622	0.084	5	117.9205	2.059	40	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:4:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6,6]-4:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(CCO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]C){1|C<3>,3|H<1>,4|C<4>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|Cl<1>,1|C<4>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(CCO){2|C<3>,3|C<4>,7|H<1>}	118.2310	0.000	1	118.2310	0.000	1	118.2310	0.000	1	117.9205	2.059	40	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:4:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]Br)(C[6]C[6]HH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CHO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){2|Br<1>,1|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]Br)(C[6]C[6]HH){1|C<4>,1|F<1>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CHO){1|C<4>,2|C<3>,3|H<1>}	118.6670	0.448	4	118.6670	0.201	4	118.1240	1.389	32	117.9205	2.059	40	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:4:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]Br)(C[6]C[6]HH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CHS)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){2|Br<1>,1|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]Br)(C[6]C[6]HH){1|C<4>,1|F<1>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CHS){1|C<4>,2|C<3>,3|H<1>}	118.7365	0.483	4	118.7365	0.233	4	118.1240	1.389	32	117.9205	2.059	40	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:4:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]2C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(COO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<2>,1|C<4>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]2C){2|C<4>,3|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(COO){1|C<4>,2|C<3>,3|H<1>}	120.0510	0.000	1	120.0510	0.000	1	118.1240	1.389	32	117.9205	2.059	40	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:4:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(COO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<2>,1|C<4>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(COO){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	117.9680	0.413	3	117.9680	0.171	3	118.1240	1.389	32	117.9205	2.059	40	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:4:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(COO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,3|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(COO){1|C<4>,2|H<1>,3|C<3>}	116.7460	0.000	1	116.7460	0.000	1	118.1240	1.389	32	117.9205	2.059	40	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:4:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CC[5]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,2|C<4>,5|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|F<1>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CC[5]O){1|C<4>,2|C<3>,3|H<1>}	116.6350	0.247	2	116.6350	0.061	2	118.1240	1.389	32	117.9205	2.059	40	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:4:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CC[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,2|C<4>,5|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CC[6a]O){1|C<4>,2|C<3>,3|H<1>}	116.8480	0.000	1	116.8480	0.000	1	118.1240	1.389	32	117.9205	2.059	40	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:4:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,6|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCH){1|C<4>,2|C<3>,3|H<1>}	119.0020	0.000	1	119.0020	0.000	1	118.1240	1.389	32	117.9205	2.059	40	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:4:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,6|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCO){1|C<4>,2|C<3>,3|H<1>}	117.2270	0.000	1	117.2270	0.000	1	118.1240	1.389	32	117.9205	2.059	40	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:4:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[5,5,6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,6|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){2|C<3>,2|C<4>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[5,5,6]O){2|C<3>,2|C<4>,2|H<1>}	118.8370	0.000	1	118.8370	0.000	1	118.1240	1.389	32	117.9205	2.059	40	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:4:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[5a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,6|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[5a]O){1|C<4>,2|C<3>,3|H<1>}	117.3530	0.000	1	117.3530	0.000	1	118.1240	1.389	32	117.9205	2.059	40	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:4:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CSS)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,6|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CSS){1|C<4>,2|C<3>,3|H<1>}	117.5605	0.124	2	117.5605	0.015	2	118.1240	1.389	32	117.9205	2.059	40	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:4:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CCO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|Cl<1>,1|C<4>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CCO){1|C<4>,2|C<3>,3|H<1>}	116.1190	0.000	1	116.1190	0.000	1	118.1240	1.389	32	117.9205	2.059	40	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:4:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(COO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(COO){1|C<4>,3|H<1>,4|C<3>}	119.1740	0.000	1	119.5585	0.296	2	118.1240	1.389	32	117.9205	2.059	40	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:4:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(COO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){2|C<3>,2|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(COO){1|C<4>,3|H<1>,4|C<3>}	119.9430	0.000	1	119.5585	0.296	2	118.1240	1.389	32	117.9205	2.059	40	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:4:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(COO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,2|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|B<3>,1|C<4>,1|O<2>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(COO){1|B<3>,1|C<4>,2|H<1>,4|C<3>}	116.7290	0.000	1	118.1505	4.041	2	118.1240	1.389	32	117.9205	2.059	40	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:4:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(COO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,2|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|B<3>,1|C<4>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(COO){1|B<3>,1|C<4>,2|H<1>,4|C<3>}	119.5720	0.000	1	118.1505	4.041	2	118.1240	1.389	32	117.9205	2.059	40	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:4:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HO)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CC[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CC[6a]O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	119.7390	0.000	1	119.7390	0.000	1	118.1240	1.389	32	117.9205	2.059	40	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:4:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HO)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(COO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<4>,2|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(COO){1|C<4>,3|H<1>,4|C<3>}	117.1580	0.000	1	117.1580	0.000	1	118.1240	1.389	32	117.9205	2.059	40	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:4:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]HH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(CCH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|O<2>,2|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(CCH){1|C<4>,1|H<1>,4|C<3>}	115.8820	0.000	1	115.8820	0.000	1	118.1240	1.389	32	117.9205	2.059	40	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:4:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Pd)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Pd)(N[6]C[6]C){1|C<3>,1|C<4>,6|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|Pd<4>,1|C<4>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCO){1|Pd<4>,1|C<4>,2|C<3>,2|H<1>}	118.8390	1.235	2	118.8390	1.524	2	118.1240	1.389	32	117.9205	2.059	40	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:4:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:P-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]P)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(POO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]P){1|C<3>,2|C<4>,5|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|P<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(POO){1|C<4>,2|C<3>,3|H<1>}	120.2070	0.000	1	120.2070	0.000	1	120.2070	0.000	1	117.9205	2.059	40	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:4:3:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(CC[6a]O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]C){1|C<4>,3|C<3>,6|H<1>}	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|H<1>,4|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(CC[6a]O){1|C<4>,2|H<1>,3|C<3>}	120.1050	0.000	1	120.1050	0.000	1	120.1050	0.000	1	117.9205	2.059	40	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]N[6])(C[6]C[6]HH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(N[6]C[6]C){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]N[6])(C[6]C[6]HH){2|C<3>,2|H<1>,4|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH){2|C<3>,2|C<4>,2|H<1>}	121.2340	0.000	1	119.9060	1.343	3	119.9060	1.343	3	120.0092	2.354	37	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]N[6])(C[6]C[6]HH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(N[6]C[6]C){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]N[6])(C[6]C[6]HH){2|H<1>,3|C<3>,3|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH){2|C<3>,2|C<4>,2|H<1>}	119.2420	0.199	2	119.9060	1.343	3	119.9060	1.343	3	120.0092	2.354	37	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(C[6]C[6]HH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(C[6]C[6]HH){2|C<3>,2|C<4>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3){1|C<4>,2|C<3>,3|H<1>}	120.8780	0.448	2	120.8780	0.201	2	120.6829	1.525	18	120.0092	2.354	37	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CC)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCCH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,3|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|B<3>,1|C<3>,2|C<4>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCCH){1|C<4>,2|C<3>,3|H<1>}	121.0740	0.074	2	121.0740	0.005	2	120.6829	1.525	18	120.0092	2.354	37	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CC)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,2|C<2>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|Br<1>,2|C<3>,2|C<4>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3){1|C<4>,2|H<1>,3|C<3>}	121.9980	0.000	1	121.6900	0.190	2	120.6829	1.525	18	120.0092	2.354	37	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CC)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,2|C<2>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CC){2|C<3>,2|H<1>,3|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3){1|C<4>,2|H<1>,3|C<3>}	121.3820	0.000	1	121.6900	0.190	2	120.6829	1.525	18	120.0092	2.354	37	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CC)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<3>,2|C<4>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]HH){1|C<4>,3|H<1>,4|C<3>}	117.4120	0.000	1	120.3575	17.352	2	120.6829	1.525	18	120.0092	2.354	37	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CC)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|Cl<1>,1|C<3>,2|C<4>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]HH){1|C<4>,3|H<1>,4|C<3>}	123.3030	0.000	1	120.3575	17.352	2	120.6829	1.525	18	120.0092	2.354	37	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,2|C<4>,5|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,2|C<4>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CH3){1|C<4>,2|C<3>,3|H<1>}	120.9720	0.000	1	120.9720	0.000	1	120.6829	1.525	18	120.0092	2.354	37	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,6|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<2>,1|C<3>,2|C<4>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC3){1|C<4>,2|C<3>,3|H<1>}	118.8640	0.000	1	118.8640	0.000	1	120.6829	1.525	18	120.0092	2.354	37	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCCH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,6|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<2>,1|C<3>,2|C<4>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCCH){1|C<4>,2|C<3>,3|H<1>}	120.1490	0.000	1	120.1490	0.000	1	120.6829	1.525	18	120.0092	2.354	37	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,6|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<2>,1|C<3>,2|C<4>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3){1|C<4>,2|C<3>,3|H<1>}	120.5420	0.000	1	120.5420	0.000	1	120.6829	1.525	18	120.0092	2.354	37	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){2|C<3>,2|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|Br<1>,1|H<1>,2|C<4>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(CH3){1|C<4>,1|H<1>,6|C<3>}	120.9200	0.000	1	120.9200	0.000	1	120.6829	1.525	18	120.0092	2.354	37	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|Br<1>,1|C<4>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){2|C<4>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]HH){1|C<4>,1|H<1>,6|C<3>}	120.3890	1.114	2	120.6483	0.823	3	120.6829	1.525	18	120.0092	2.354	37	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,2|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){2|C<4>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]HH){1|C<4>,1|H<1>,6|C<3>}	121.1670	0.000	1	120.6483	0.823	3	120.6829	1.525	18	120.0092	2.354	37	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,2|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CH3){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	120.3100	0.000	1	120.4510	0.040	2	120.6829	1.525	18	120.0092	2.354	37	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,2|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){2|C<4>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CH3){1|C<4>,1|H<1>,6|C<3>}	120.5920	0.000	1	120.4510	0.040	2	120.6829	1.525	18	120.0092	2.354	37	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:P-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Ir)(N[6]C[6]P)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(PIrCC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Ir)(N[6]C[6]P){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|Ir<4>,1|C<3>,1|C<4>,1|P<4>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(PIrCC){1|C<4>,2|C<3>,2|H<1>}	121.4610	0.000	1	121.4610	0.000	1	121.4610	0.000	1	120.0092	2.354	37	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|Cl<1>,1|C<3>,3|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|N<3>,1|S<4>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(SC[6a]OO){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	116.6350	0.000	1	116.9735	0.229	2	118.5953	0.909	12	120.0092	2.354	37	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){2|C<3>,2|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(SC[6a]OO){1|H<1>,2|C<4>,3|C<3>}	117.3120	0.000	1	116.9735	0.229	2	118.5953	0.909	12	120.0092	2.354	37	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,2|C<4>,5|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|O<2>,1|S<4>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	118.1030	0.000	1	118.6930	0.365	3	118.5953	0.909	12	120.0092	2.354	37	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,2|C<4>,5|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO){1|C<4>,2|H<1>,3|C<3>}	119.3110	0.000	1	118.6930	0.365	3	118.5953	0.909	12	120.0092	2.354	37	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,2|C<4>,5|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|Si<4>,1|C<3>,1|C<4>,1|S<4>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO){1|Si<4>,1|C<4>,2|C<3>,2|H<1>}	118.6650	0.000	1	118.6930	0.365	3	118.5953	0.909	12	120.0092	2.354	37	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,2|C<4>,5|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|Br<1>,1|Si<3>,1|C<3>,1|C<4>,1|S<4>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(SC[6a]OO){1|Si<3>,1|C<4>,2|C<3>,2|H<1>}	118.9310	0.000	1	118.6115	0.204	2	118.5953	0.909	12	120.0092	2.354	37	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,2|C<4>,5|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(SC[6a]OO){1|C<4>,1|H<1>,4|C<3>}	118.2920	0.000	1	118.6115	0.204	2	118.5953	0.909	12	120.0092	2.354	37	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,1|C<4>,6|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|Br<1>,1|Si<4>,1|C<3>,1|C<4>,1|S<4>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO){1|Si<4>,1|C<4>,2|C<3>,2|H<1>}	119.2675	0.070	2	119.2675	0.005	2	118.5953	0.909	12	120.0092	2.354	37	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,2|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|S<4>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(SC[6a]OO){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	118.5310	0.000	1	118.5310	0.000	1	118.5953	0.909	12	120.0092	2.354	37	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HO)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO){1|C<4>,2|H<1>,3|C<3>}	120.2180	0.000	1	120.2180	0.000	1	118.5953	0.909	12	120.0092	2.354	37	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]HH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]HH){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|S<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	118.6100	0.000	1	118.6100	0.000	1	118.5953	0.909	12	120.0092	2.354	37	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]N[6a]H)(S[6]N[6]OO)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CCHH)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]C){2|N<2>,2|O<1>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]N[6a]H)(S[6]N[6]OO){1|C<3>,1|H<1>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CCHH){1|H<1>,1|S<4>,2|C<3>}	122.4240	0.000	1	122.4240	0.000	1	122.4240	0.000	1	120.0092	2.354	37	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]N[6]OO)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]S){1|N<3>,2|C<3>,2|O<1>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]N[6]OO){1|C<3>,1|S<4>,2|C<4>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(SC[6a]OO){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	119.0410	0.000	1	119.0410	0.000	1	119.0410	0.000	1	120.0092	2.354	37	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:4:4:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6]H)(CC[6a]HH)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]C){2|C<4>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){2|C<3>,2|C<4>,3|H<1>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6]H)(CC[6a]HH){1|C<4>,2|H<1>,5|C<3>}	122.2620	0.000	1	122.2620	0.000	1	122.2620	0.000	1	120.0092	2.354	37	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	4:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6]-4:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]H)	C[6,6a](C[5a,6a]C[5a,6a]2)(C[6,6a]C[6a]N[6])(C[6]C[6,6]CC)	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]H){2|H<1>,3|C<3>,3|C<4>}	C[6,6a](C[5a,6a]C[5a,6a]2)(C[6,6a]C[6a]N[6])(C[6]C[6,6]CC){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(H){2|C<4>,2|H<1>,4|C<3>}	121.6365	0.750	2	121.6365	0.563	2	121.6365	0.563	2	120.5632	1.747	4	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	4:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[5,6]-4:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]HH)	N[6](C[5,6]C[5,6a]C[5]O[6])(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H){1|O<2>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<3>,1|C<4>,3|H<1>}	N[6](C[5,6]C[5,6a]C[5]O[6])(C[6,6a]C[6,6a]C[6a])(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	119.4900	0.264	2	119.4900	0.070	2	119.4900	0.070	2	120.5632	1.747	4	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:4:2:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:S[6]-4:N[6a]-2:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a](C[6,6a]N[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(S[6]N[6]OO)(N[6a]C[6a])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CCHH)	C[6,6a](C[6,6a]N[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|N<3>,2|O<1>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(S[6]N[6]OO)(N[6a]C[6a]){1|C<3>,2|C<4>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CCHH){1|C<3>,1|N<2>,1|S<4>,2|H<1>}	122.2805	0.627	2	122.2805	0.393	2	122.2805	0.393	2	122.2805	0.393	2	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:4:3:	3:3:1:	C[5a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6a]C[6])(N[6]C[6]H)	C[6,6a](C[6,6a]C[5a,6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	N[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]C)(H)	C[6,6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6a]C[6])(N[6]C[6]H){1|N<3>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[5a,6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){2|H<1>,6|C<3>}	N[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]C)(H){1|C<4>,4|C<3>}	120.0860	0.000	1	120.0860	0.000	1	120.0860	0.000	1	119.6494	1.253	52	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)(H)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(N[6]C[6,6a]H){1|H<1>,1|N<3>,4|C<3>,4|C<4>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)(H){1|H<1>,2|C<4>,4|C<3>}	116.7780	0.321	2	116.7780	0.103	2	116.7780	0.103	2	119.6494	1.253	52	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5a,6a]-3:C[6]-4:C[6,6a]-3:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]H)	C[6,6a](C[5a,6a]C[5a,6a]C[5a])(C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]N[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H)	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]C[5a])(C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]N[6]){1|N<2>,1|N<3>,3|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H){2|C<4>,3|C<3>,3|H<1>}	119.7980	0.000	1	119.7980	0.000	1	119.1210	0.354	3	119.6494	1.253	52	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5a,6a]-3:C[6]-4:C[6,6a]-3:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]H)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]N[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H)	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]N[6]){1|N<2>,3|H<1>,6|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H){2|C<4>,3|C<3>,3|H<1>}	118.7825	0.145	2	118.7825	0.021	2	119.1210	0.354	3	119.6494	1.253	52	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:B[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6a](C[6,6a]C[6a]B[6])(C[6a]C[6a]H)(N[6]C[6,6]H)	C[6,6a](C[6,6a]C[6a]N[6])(B[6]N[6,6]OO)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6])(H)	C[6,6a](C[6,6a]C[6a]B[6])(C[6a]C[6a]H)(N[6]C[6,6]H){1|N<3>,2|C<3>,2|H<1>,2|O<2>}	C[6,6a](C[6,6a]C[6a]N[6])(B[6]N[6,6]OO)(C[6a]C[6a]H){3|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6])(H){1|Br<1>,1|B<4>,1|H<1>,4|C<3>}	119.1650	0.000	1	119.1650	0.000	1	119.1650	0.000	1	119.6494	1.253	52	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[5,6]C[5,6]2H)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[5,6]C[5,6]2H)(C[6a]C[6a]H){2|C<3>,3|H<1>,5|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(H){1|H<1>,2|C<3>,3|C<4>}	119.3485	0.346	2	119.3485	0.120	2	119.3485	0.120	2	119.6494	1.253	52	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6,6]C[6]2O[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6,6]C[6]2O[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,7|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(H){1|C<4>,1|H<1>,2|C<3>}	118.1060	0.000	1	118.1545	0.005	2	118.1545	0.005	2	119.6494	1.253	52	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6,6]C[6]2O[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6,6]C[6]2O[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(H){1|C<4>,1|H<1>,2|C<3>}	118.2030	0.000	1	118.1545	0.005	2	118.1545	0.005	2	119.6494	1.253	52	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5,6]HH)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5,6]HH)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5])(H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	118.6710	0.000	1	119.0225	0.247	2	119.0225	0.247	2	119.6494	1.253	52	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5,6]HH)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5,6]HH)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5])(H){2|C<3>,3|C<4>,3|H<1>}	119.3740	0.000	1	119.0225	0.247	2	119.0225	0.247	2	119.6494	1.253	52	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]H){3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	119.9660	0.267	2	119.9813	0.036	3	119.4626	0.563	5	119.6494	1.253	52	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]H){3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){3|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H){1|C<4>,2|H<1>,4|C<3>}	120.0120	0.000	1	119.9813	0.036	3	119.4626	0.563	5	119.6494	1.253	52	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[6,6]HH)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[6,6]HH)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6])(H){2|C<3>,3|C<4>,3|H<1>}	118.6845	0.400	2	118.6845	0.160	2	119.4626	0.563	5	119.6494	1.253	52	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Cl)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]Cl)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Cl)(N[6]C[6]H){1|Cl<1>,1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]Cl){2|Cl<1>,3|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	120.6680	0.000	1	120.6680	0.000	1	118.7988	2.059	4	119.6494	1.253	52	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5a]N[6]H)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5a]N[6]H)(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H){1|H<1>,2|C<3>,2|C<4>}	118.5480	0.000	1	118.5480	0.000	1	118.7988	2.059	4	119.6494	1.253	52	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H){4|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H){1|C<4>,2|C<3>,2|H<1>}	118.7990	0.000	1	118.7990	0.000	1	118.7988	2.059	4	119.6494	1.253	52	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]O[6]C)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]O[6]C)(C[6a]C[6a]H){3|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(H){1|C<4>,1|H<1>,2|C<3>}	117.1800	0.000	1	117.1800	0.000	1	118.7988	2.059	4	119.6494	1.253	52	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a,6a]-3:C[6]-4:C[6,6a]-3:	C[6,6a]-3:C[5,6]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]N[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]N[6]){3|H<1>,7|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	121.3710	0.000	1	121.2460	0.031	2	121.2460	0.031	2	119.6494	1.253	52	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a,6a]-3:C[6]-4:C[6,6a]-3:	C[6,6a]-3:C[5,6]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]N[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]N[6]){3|H<1>,7|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(H){2|C<4>,3|C<3>,3|H<1>}	121.1210	0.000	1	121.2460	0.031	2	121.2460	0.031	2	119.6494	1.253	52	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a,6a]-3:C[6]-4:C[6,6a]-3:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]N[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]N[6]){3|H<1>,7|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H){2|C<4>,3|C<3>,3|H<1>}	119.6120	0.000	1	119.6120	0.000	1	119.6120	0.000	1	119.6494	1.253	52	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[5a,6a]-3:C[6]-4:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[5a,6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	C[6,6a](C[5a,6a]C[5a,6a]C[5a])(C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]N[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(H)	C[6,6a](C[6,6a]C[5a,6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]C[5a])(C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]N[6]){1|N<2>,1|N<3>,3|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(H){1|C<4>,2|H<1>,4|C<3>}	122.3930	0.000	1	122.3930	0.000	1	122.3930	0.000	1	119.6494	1.253	52	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[5a,6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5a,6]HH)(C[6a]C[6a]H)	N[6](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[5a,6]H)(C[6a]C[6a]H){1|N<3>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5a,6]HH)(C[6a]C[6a]H){3|C<3>,3|H<1>}	N[6](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(H){1|C<4>,1|H<1>,5|C<3>}	119.4055	0.336	2	119.4055	0.113	2	119.4055	0.113	2	119.6494	1.253	52	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]C){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H){1|H<1>,2|C<4>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(H){3|C<4>,4|C<3>}	119.7570	0.000	1	119.7570	0.000	1	119.9045	0.357	12	119.6494	1.253	52	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){3|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)(H){1|H<1>,2|C<4>,4|C<3>}	120.1860	0.877	2	120.1860	0.769	2	119.9045	0.357	12	119.6494	1.253	52	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(H){1|C<4>,2|H<1>,4|C<3>}	120.0330	0.597	2	119.8512	0.327	4	119.9045	0.357	12	119.6494	1.253	52	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){3|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])2(H){1|C<4>,2|H<1>,4|C<3>}	119.6695	0.702	2	119.8512	0.327	4	119.9045	0.357	12	119.6494	1.253	52	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H){3|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])2(H){1|C<4>,2|H<1>,4|C<3>}	119.9425	0.073	2	119.9425	0.005	2	119.9045	0.357	12	119.6494	1.253	52	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H){2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(H){1|C<4>,2|H<1>,4|C<3>}	119.1300	0.000	1	119.2445	0.026	2	119.9045	0.357	12	119.6494	1.253	52	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H){3|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])2(H){1|C<4>,2|H<1>,4|C<3>}	119.3590	0.000	1	119.2445	0.026	2	119.9045	0.357	12	119.6494	1.253	52	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]N)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]N){2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(H){1|C<4>,2|N<2>,4|C<3>}	120.9460	0.000	1	120.9460	0.000	1	119.9045	0.357	12	119.6494	1.253	52	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]O)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|H<1>,1|O<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(O){1|C<4>,2|H<1>,4|C<3>}	120.4830	0.785	2	120.4830	0.616	2	120.4830	0.616	2	119.6494	1.253	52	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6a,6a]-3:C[6]-4:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]N[6])	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]N[6]){3|H<1>,7|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(H){1|C<4>,2|H<1>,4|C<3>}	120.4990	0.320	2	120.4990	0.102	2	120.4990	0.102	2	119.6494	1.253	52	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:N[6]-3:N[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(N[6a]C[6a]C)	C[6,6a](C[6,6a]N[6a]N[6])(C[6]C[6,6a]CH)(C[6a]N[6a]O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(N[6a]C[6a]C){1|C<4>,1|H<1>,1|N<3>,2|C<3>,2|O<1>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6]C[6,6a]CH)(C[6a]N[6a]O){1|H<1>,2|C<4>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(H){3|C<4>,4|C<3>}	121.1650	0.000	1	121.1650	0.000	1	121.1650	0.000	1	119.6494	1.253	52	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:4:3:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[5,6]H)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6]C[5,6]C[6a]H)(C[6a]C[6a]H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]C[5])(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[5,6]H){1|C<4>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6]C[5,6]C[6a]H)(C[6a]C[6a]H){2|H<1>,6|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]C[5])(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	120.4113	0.857	3	120.4267	0.491	4	120.4267	0.491	4	119.6494	1.253	52	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:4:3:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[5,6]H)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6]C[5,6]C[6a]H)(C[6a]C[6a]H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]C[5])(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[5,6]H){1|C<4>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6]C[5,6]C[6a]H)(C[6a]C[6a]H){2|H<1>,6|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]C[5])(H){2|C<4>,2|H<1>,4|C<3>}	120.4730	0.000	1	120.4267	0.491	4	120.4267	0.491	4	119.6494	1.253	52	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:4:3:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[6,6]H)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6]C[6,6]C[6a]H)(C[6a]C[6a]H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[6,6]H){1|C<4>,1|N<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6]C[6,6]C[6a]H)(C[6a]C[6a]H){2|H<1>,6|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(H){2|C<4>,2|H<1>,4|C<3>}	120.0130	0.106	2	120.0130	0.011	2	120.0130	0.011	2	119.6494	1.253	52	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:4:3:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6]C[5a]C[6]H)(C[6a]C[6a]H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]O)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6]C[5a]C[6]H)(C[6a]C[6a]H){1|S<2>,4|C<3>,4|H<1>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]O)(H){1|C<4>,2|H<1>,3|C<3>}	119.0170	0.000	1	119.0170	0.000	1	119.0170	0.000	1	119.6494	1.253	52	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:4:3:	3:3:2:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:S[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-2:	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(S[6]C[6,6a]OO)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(CC)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,2|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(S[6]C[6,6a]OO)(C[6a]C[6a]H){1|C<2>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(CC){1|S<4>,2|H<1>,4|C<3>}	120.0460	0.000	1	120.0460	0.000	1	120.0460	0.000	1	120.0460	0.000	1	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:4:3:	3:3:3:	C[5a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[5a,6a]C[5a,6a]2)(C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[5a,6a]N[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	N[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)	C[6,6a](C[5a,6a]C[5a,6a]2)(C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a]){1|H<1>,1|N<3>,2|C<4>,7|C<3>}	C[6,6a](C[6,6a]C[5a,6a]N[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|H<1>,5|C<3>}	N[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2){1|C<4>,3|H<1>,7|C<3>}	118.5485	0.084	2	118.5485	0.007	2	118.5485	0.007	2	119.5307	1.688	130	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:4:3:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6,6]C[6,6a]3)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6,6]C[6a])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6,6]C[6,6a]3)(C[6a]C[6a]H){2|H<1>,8|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|C<4>,4|H<1>,6|C<3>}	120.7384	0.404	16	120.7384	0.163	16	120.6780	0.200	18	119.5307	1.688	130	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:4:3:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6,6]C[6,6a]3)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]N[6a])	C[6,6a](C[6,6a]C[6,6]C[6a])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6,6]C[6,6a]3)(C[6a]C[6a]H){2|H<1>,8|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]N[6a]){1|C<4>,3|H<1>,6|C<3>}	120.1950	0.652	2	120.1950	0.425	2	120.6780	0.200	18	119.5307	1.688	130	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:4:3:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6,6a]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]CC)(C[6a]C[6,6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6,6a]C){1|H<1>,1|N<3>,2|C<4>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]CC)(C[6a]C[6,6a]H){2|C<4>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){2|C<4>,3|H<1>,6|C<3>}	118.0795	0.500	2	118.0795	0.250	2	119.1568	1.175	101	119.5307	1.688	130	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:4:3:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6,6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]CC)(C[6a]C[6,6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6,6a]H){1|H<1>,1|N<3>,2|C<4>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]CC)(C[6a]C[6,6a]H){1|C<4>,1|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|C<4>,4|H<1>,6|C<3>}	117.4420	0.228	2	117.4420	0.052	2	119.1568	1.175	101	119.5307	1.688	130	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:4:3:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	N[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){2|H<1>,4|C<3>}	N[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2){1|C<4>,3|H<1>,7|C<3>}	118.6430	0.027	2	118.6430	0.001	2	119.1568	1.175	101	119.5307	1.688	130	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:4:3:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|C<4>,4|H<1>,6|C<3>}	120.6605	0.128	2	119.2462	1.149	93	119.1568	1.175	101	119.5307	1.688	130	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:4:3:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|C<4>,4|H<1>,6|C<3>}	120.6580	0.000	1	119.2462	1.149	93	119.1568	1.175	101	119.5307	1.688	130	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:4:3:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|C<4>,1|S<4>,3|H<1>,6|C<3>}	119.9767	0.385	10	119.2462	1.149	93	119.1568	1.175	101	119.5307	1.688	130	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:4:3:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|C<4>,2|F<1>,2|H<1>,6|C<3>}	118.5196	1.061	17	119.2462	1.149	93	119.1568	1.175	101	119.5307	1.688	130	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:4:3:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|C<4>,4|H<1>,6|C<3>}	119.2155	0.943	51	119.2462	1.149	93	119.1568	1.175	101	119.5307	1.688	130	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:4:3:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|N<2>,2|C<4>,3|H<1>,5|C<3>}	118.6265	0.129	2	119.2462	1.149	93	119.1568	1.175	101	119.5307	1.688	130	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:4:3:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){2|C<4>,3|H<1>,6|C<3>}	119.6069	1.468	10	119.2462	1.149	93	119.1568	1.175	101	119.5307	1.688	130	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:4:3:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]N[6a])	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|N<2>,2|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]N[6a]){1|C<4>,3|H<1>,6|C<3>}	118.3055	0.804	2	118.3055	0.646	2	119.1568	1.175	101	119.5307	1.688	130	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:4:3:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:P[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]P[6])(N[6]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(P[6]C[6a]2C[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]P[6])(N[6]C[6a]C[6])(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(P[6]C[6a]2C[6])(C[6a]C[6a]H){3|H<1>,7|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2){1|C<4>,1|P<4>,3|H<1>,6|C<3>}	122.8960	0.000	1	122.8960	0.000	1	122.8960	0.000	1	119.5307	1.688	130	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:4:3:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:S[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-3:	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(S[6]C[6,6a]OO)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(CCO)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,2|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(S[6]C[6,6a]OO)(C[6a]C[6a]H){2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(CCO){1|S<4>,2|H<1>,4|C<3>}	119.2990	0.154	2	119.2990	0.024	2	119.2990	0.024	2	119.5307	1.688	130	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:4:3:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:S[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(S[6]C[6,6a]OO)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,2|O<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(S[6]C[6,6a]OO)(C[6a]C[6a]H){2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|S<4>,4|H<1>,6|C<3>}	121.3200	0.000	1	122.2263	0.393	6	122.2263	0.393	6	119.5307	1.688	130	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:4:3:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:S[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(S[6]C[6,6a]OO)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,2|O<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(S[6]C[6,6a]OO)(C[6a]C[6a]H){1|H<1>,1|N<3>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|S<4>,4|H<1>,6|C<3>}	122.2630	0.611	2	122.2263	0.393	6	122.2263	0.393	6	119.5307	1.688	130	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:4:3:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:S[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(S[6]C[6,6a]OO)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,2|O<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(S[6]C[6,6a]OO)(C[6a]C[6a]H){2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|S<4>,4|H<1>,6|C<3>}	122.5040	0.519	3	122.2263	0.393	6	122.2263	0.393	6	119.5307	1.688	130	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:4:3:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:B[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]B[6])(C[6a]C[6a]F)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(B[6]C[6a]N[6]F)(C[6a]C[6a]F)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(CCCH)	C[6,6a](C[6,6a]C[6a]B[6])(C[6a]C[6a]F)(N[6]C[6]C){1|H<1>,1|N<3>,2|C<3>,3|F<1>}	C[6,6a](C[6,6a]C[6a]N[6])(B[6]C[6a]N[6]F)(C[6a]C[6a]F){2|C<4>,2|F<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(CCCH){1|B<4>,1|C<4>,1|F<1>,2|C<3>}	118.8572	0.195	4	118.8572	0.038	4	118.8572	0.038	4	121.0273	1.859	48	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:4:3:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[5,6]C[5]2C[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]HH)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[5,6]C[5]2C[6])(C[6a]C[6a]H){1|N<2>,2|C<3>,3|C<4>,6|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]HH){2|C<3>,2|C<4>,2|H<1>}	119.6260	0.000	1	119.6260	0.000	1	119.6260	0.000	1	121.0273	1.859	48	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:4:3:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6,6]C[6]3)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6,6]C[6]3)(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,6|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	120.2270	0.000	1	120.2270	0.000	1	120.2270	0.000	1	121.0273	1.859	48	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:4:3:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]CC)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(CC[6a]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]C){1|C<3>,1|N<2>,2|H<1>,3|C<4>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]CC)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(CC[6a]HH){1|H<1>,2|C<4>,4|C<3>}	120.0700	0.000	1	120.0700	0.000	1	120.1800	0.024	2	121.0273	1.859	48	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:4:3:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]HN)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(CC[6a]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]C){1|C<3>,1|C<4>,1|N<2>,1|N<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]HN)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(CC[6a]HH){1|H<1>,2|C<4>,4|C<3>}	120.2900	0.000	1	120.2900	0.000	1	120.1800	0.024	2	121.0273	1.859	48	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:4:3:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CC[6a]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	119.2880	0.000	1	119.2880	0.000	1	119.8505	0.336	6	121.0273	1.859	48	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:4:3:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	119.0840	0.000	1	119.8580	0.476	3	119.8505	0.336	6	121.0273	1.859	48	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:4:3:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,2|F<1>,2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3){1|C<4>,1|H<1>,2|C<3>,2|F<1>}	120.4090	0.000	1	119.8580	0.476	3	119.8505	0.336	6	121.0273	1.859	48	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:4:3:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3){2|C<3>,2|C<4>,2|H<1>}	120.0810	0.000	1	119.8580	0.476	3	119.8505	0.336	6	121.0273	1.859	48	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:4:3:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]N[6]C)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CC[6a]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]N[6]C)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CC[6a]HH){1|C<4>,2|C<3>,2|H<1>}	120.4850	0.000	1	120.4850	0.000	1	119.8505	0.336	6	121.0273	1.859	48	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:4:3:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]O[6]C)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]O[6]C)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(CH3){1|C<4>,1|H<1>,2|C<3>}	119.7560	0.000	1	119.7560	0.000	1	119.8505	0.336	6	121.0273	1.859	48	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:4:3:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-3:S-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|S<4>,2|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(SC[6a]OO){1|C<4>,1|H<1>,5|C<3>}	116.9460	0.000	1	116.9460	0.000	1	116.9460	0.000	1	121.0273	1.859	48	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:4:3:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:S-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[5a,6]S)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5a,6]CH)(C[6a]C[6a]H)	N[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[5a,6]S)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5a,6]CH)(C[6a]C[6a]H){1|S<4>,2|H<1>,3|C<3>}	N[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(SC[6a]OO){1|C<4>,2|H<1>,4|C<3>}	120.1420	0.000	1	120.1420	0.000	1	120.1420	0.000	1	121.0273	1.859	48	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:4:3:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:P[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]P[6])(N[6]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(P[6]C[6a]2C[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]P[6])(N[6]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,4|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(P[6]C[6a]2C[6])(C[6a]C[6a]H){1|C<4>,4|H<1>,6|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH){1|P<4>,4|C<3>,5|H<1>}	122.4320	0.000	1	122.4320	0.000	1	122.1590	0.149	2	121.0273	1.859	48	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:4:3:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:P[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]P[6])(N[6]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(P[6]C[6a]2C[6])(C[6a]C[6a]O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]P[6])(N[6]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(P[6]C[6a]2C[6])(C[6a]C[6a]O){1|C<4>,4|H<1>,6|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH){1|P<4>,4|C<3>,5|H<1>}	121.8860	0.000	1	121.8860	0.000	1	122.1590	0.149	2	121.0273	1.859	48	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:4:3:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:S[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(S[6]C[6,6a]OO)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,2|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(S[6]C[6,6a]OO)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){1|S<4>,2|H<1>,4|C<3>}	121.5259	0.704	22	121.5259	0.495	22	121.5397	0.455	24	121.0273	1.859	48	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:4:3:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:S[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(S[6]C[6,6a]OO)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(CH3)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,2|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(S[6]C[6,6a]OO)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(CH3){1|S<4>,2|H<1>,4|C<3>}	121.6915	0.163	2	121.6915	0.027	2	121.5397	0.455	24	121.0273	1.859	48	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:4:3:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:Si[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]Si[6,6]C[6a])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(Si[6,6]C[6,6a]3)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]HH)	C[6,6a](C[6,6a]Si[6,6]C[6a])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(Si[6,6]C[6,6a]3)(C[6a]C[6a]H){1|C<4>,2|H<1>,7|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]HH){1|Si<4>,2|H<1>,4|C<3>}	122.6653	0.038	4	122.6653	0.001	4	122.6653	0.001	4	121.0273	1.859	48	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:4:3:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:Si[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]Si[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(Si[6]C[6,6a]Pt2)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(CH3)	C[6,6a](C[6,6a]C[6a]Si[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|Pt<4>,1|Pt<5>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(Si[6]C[6,6a]Pt2)(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(CH3){1|Si<4>,2|H<1>,4|C<3>}	122.7730	0.788	2	122.7730	0.620	2	122.7730	0.620	2	121.0273	1.859	48	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:4:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5a,6a]-3:C[6]-4:C[6,6a]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[5a,6a]C[5a,6a]C[5a])(C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]N[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H)	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]C[5a])(C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]N[6]){1|C<4>,1|N<2>,1|N<3>,3|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H){1|C<4>,1|H<1>,6|C<3>}	120.8610	0.000	1	120.8610	0.000	1	120.8610	0.000	1	121.6690	1.623	21	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:4:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(N[6]C[5,6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5,6]HH)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(N[6]C[5,6]H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5,6]HH)(C[6a]C[6a]H){2|Br<1>,1|C<3>,1|H<1>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(H){1|Br<1>,2|C<3>,2|H<1>,3|C<4>}	119.9900	0.000	1	119.9900	0.000	1	120.8857	0.984	3	121.6690	1.623	21	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:4:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]CC)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H){1|C<3>,3|H<1>,4|C<4>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]CC)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,2|C<4>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	121.9520	0.000	1	121.9520	0.000	1	120.8857	0.984	3	121.6690	1.623	21	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:4:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]CH)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]CH)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(H){1|H<1>,3|C<4>,4|C<3>}	120.7150	0.000	1	120.7150	0.000	1	120.8857	0.984	3	121.6690	1.623	21	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:4:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[6,6]HH)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[6,6]HH)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6]H)(H){2|C<4>,3|C<3>,3|H<1>}	119.9190	0.000	1	119.9190	0.000	1	119.9190	0.000	1	121.6690	1.623	21	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:4:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(N[6]C[6]H){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|O<2>,3|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	121.6950	0.000	1	121.6950	0.000	1	121.6730	0.473	10	121.6690	1.623	21	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:4:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5a]C[6]C)(C[6a]C[6a]O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){2|C<3>,2|O<2>,4|C<4>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5a]C[6]C)(C[6a]C[6a]O){1|C<4>,3|C<3>,5|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H){1|C<4>,2|C<3>,3|H<1>}	121.3350	0.000	1	121.3350	0.000	1	121.6730	0.473	10	121.6690	1.623	21	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:4:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6]N[5]H)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6]N[5]H)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|C<4>,3|H<1>,4|C<3>}	122.8280	0.000	1	122.8280	0.000	1	121.6730	0.473	10	121.6690	1.623	21	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:4:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|C<4>,3|H<1>,4|C<3>}	122.1785	0.405	2	122.1785	0.164	2	121.6730	0.473	10	121.6690	1.623	21	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:4:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H){1|C<4>,2|C<3>,3|H<1>}	120.4870	0.000	1	120.4870	0.000	1	121.6730	0.473	10	121.6690	1.623	21	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:4:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|Cl<1>,1|C<4>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H){1|C<4>,2|C<3>,3|H<1>}	121.1510	0.000	1	121.1510	0.000	1	121.6730	0.473	10	121.6690	1.623	21	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:4:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|Br<1>,2|C<4>,3|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){2|C<4>,2|H<1>,4|C<3>}	121.0880	0.000	1	121.4440	0.253	2	121.6730	0.473	10	121.6690	1.623	21	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:4:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|C<4>,3|H<1>,4|C<3>}	121.8000	0.000	1	121.4440	0.253	2	121.6730	0.473	10	121.6690	1.623	21	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:4:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<4>,2|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H){1|Br<1>,1|C<4>,3|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H){1|C<4>,2|C<3>,3|H<1>}	121.9890	0.000	1	121.9890	0.000	1	121.6730	0.473	10	121.6690	1.623	21	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:4:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:S[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Cl)(N[6]S[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(S[6]N[6]OO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Cl)(N[6]S[6]H){1|N<3>,2|C<3>,2|O<1>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H){2|Cl<1>,1|S<4>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(S[6]N[6]OO)(H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	122.9710	0.000	1	122.9710	0.000	1	122.9710	0.000	1	121.6690	1.623	21	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:4:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6]H)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6]Ru2)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]Ru)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6]H){1|Ru<4>,1|Ru<5>,1|Ru<8>,1|C<3>,1|C<4>,1|C<5>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6]Ru2)(C[6a]C[6a]H){1|Ru<8>,1|C<3>,1|C<4>,1|C<5>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]Ru)(H){1|Ru<5>,1|C<4>,1|C<5>,1|N<4>,2|C<3>,2|H<1>}	119.7250	0.000	1	119.7250	0.000	1	119.7250	0.000	1	121.6690	1.623	21	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:4:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a,6a]-3:C[5,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[5,6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]N[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[5,6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]N[6]){3|C<3>,3|C<4>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H){2|C<4>,2|H<1>,4|C<3>}	121.2670	0.000	1	121.2670	0.000	1	122.9105	5.402	2	121.6690	1.623	21	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:4:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a,6a]-3:C[5,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[5,6])(C[6a]O[6a]O)(N[6]C[6]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]N[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[5,6])(C[6a]O[6a]O)(N[6]C[6]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]N[6]){1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	124.5540	0.000	1	124.5540	0.000	1	122.9105	5.402	2	121.6690	1.623	21	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:4:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a,6a]-3:C[6,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[6,6])(C[6a]O[6a]O)(N[6]C[6]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]N[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6,6])(C[6a]O[6a]O)(N[6]C[6]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]N[6]){1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	124.2170	0.000	1	124.2170	0.000	1	124.2170	0.000	1	121.6690	1.623	21	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:4:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a,6a]-3:C[6]-4:C[6,6a]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]N[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]N[6]){1|C<4>,3|H<1>,7|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H){1|C<4>,1|H<1>,6|C<3>}	122.1480	0.000	1	122.1480	0.000	1	122.1480	0.000	1	121.6690	1.623	21	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:4:3:	3:4:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:N-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[5,6]N)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]CH)(C[6a]C[6a]O)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(NCC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[5,6]N){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]CH)(C[6a]C[6a]O){1|C<4>,2|C<3>,2|H<1>,2|N<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(NCC){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	117.7080	0.000	1	117.7080	0.000	1	117.7080	0.000	1	118.1210	1.103	7	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:4:3:	3:4:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CC[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]C){1|C<3>,2|C<4>,5|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CC[6a]O){2|C<3>,3|H<1>,4|C<4>}	116.8900	0.000	1	116.8900	0.000	1	116.8900	0.000	1	118.1210	1.103	7	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:4:3:	3:4:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6]NiH)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(COO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|Ni<4>,1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6]NiH)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(COO){1|Ni<4>,1|C<4>,2|C<3>,2|H<1>}	117.3170	0.000	1	117.3170	0.000	1	118.1593	0.901	4	118.1210	1.103	7	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:4:3:	3:4:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6]NiH)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]NiH)(COO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|Ni<5>,1|C<3>,1|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6]NiH)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]NiH)(COO){1|C<4>,2|C<3>,2|H<1>}	117.3610	0.000	1	117.3610	0.000	1	118.1593	0.901	4	118.1210	1.103	7	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:4:3:	3:4:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O){1|C<4>,1|O<2>,1|S<2>,2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]O){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	118.9795	0.108	2	118.9795	0.012	2	118.1593	0.901	4	118.1210	1.103	7	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:4:3:	3:4:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:B[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6a]B[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5,6]HH)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]FF)(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6a]B[6])(C[6a]C[6a]H){1|N<4>,2|F<1>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5,6]HH)(C[6a]C[6a]H){1|B<4>,2|C<3>,2|C<4>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]FF)(C[6a]C[6a]2){1|H<1>,4|C<3>,5|C<4>}	119.6120	0.000	1	119.6120	0.000	1	119.6120	0.000	1	118.1210	1.103	7	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:4:3:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[6,6a]C[6a]N[6])(C[5,6]C[5]2N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(SC[6a]OO)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[5,6]C[5]2N[6])(C[6a]C[6a]H){1|N<2>,1|S<4>,2|C<3>,3|C<4>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(SC[6a]OO){1|H<1>,2|C<3>,2|C<4>}	116.9550	0.000	1	116.9550	0.000	1	116.9550	0.000	1	119.0009	4.180	14	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:4:3:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C-4:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6,6]C[6,6]2H)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]H)(CC[6a]HH)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]C){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6,6]C[6,6]2H)(C[6a]C[6a]H){1|Cl<1>,2|C<4>,3|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]H)(CC[6a]HH){1|C<4>,3|H<1>,4|C<3>}	119.8220	0.000	1	119.8220	0.000	1	119.8220	0.000	1	119.0009	4.180	14	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:4:3:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[3,6]-4:S-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[3,6]S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[3,6]HO)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]C[3]C)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[3,6]S){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[3,6]HO)(C[6a]C[6a]H){1|H<1>,1|S<4>,2|C<3>,3|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]C[3]C)(SC[6a]OO){1|C<4>,3|C<3>,3|H<1>}	117.8540	0.000	1	117.8540	0.000	1	117.8540	0.000	1	119.0009	4.180	14	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:4:3:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:S-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]CH)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]S){1|C<2>,1|C<3>,2|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]CH)(C[6a]C[6a]H){1|C<3>,1|S<4>,2|C<4>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(SC[6a]OO){2|C<3>,3|C<4>,4|H<1>}	121.3720	0.000	1	121.3720	0.000	1	118.0428	4.257	5	119.0009	4.180	14	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:4:3:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:S-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]CH)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]S){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]CH)(C[6a]C[6a]H){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(SC[6a]OO){1|H<1>,2|C<4>,5|C<3>}	116.4110	0.000	1	116.5015	0.016	2	118.0428	4.257	5	119.0009	4.180	14	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:4:3:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:S-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]CH)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]S){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]CH)(C[6a]C[6a]H){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(SC[6a]OO){2|C<4>,2|H<1>,4|C<3>}	116.5920	0.000	1	116.5015	0.016	2	118.0428	4.257	5	119.0009	4.180	14	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:4:3:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:S-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]2H)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]S){1|C<3>,2|C<4>,5|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,1|S<4>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]2H)(SC[6a]OO){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	117.1620	0.000	1	117.1620	0.000	1	118.0428	4.257	5	119.0009	4.180	14	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:4:3:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:S-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]S){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,1|S<4>,2|H<1>,3|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(SC[6a]OO){2|C<3>,2|H<1>,3|C<4>}	118.6770	0.000	1	118.6770	0.000	1	118.0428	4.257	5	119.0009	4.180	14	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:4:3:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6]CC)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]C){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6]CC)(C[6a]C[6a]H){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(CH3){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	117.9540	0.000	1	117.9540	0.000	1	117.9540	0.000	1	119.0009	4.180	14	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:4:3:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,2|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(CH3){1|C<4>,1|H<1>,1|N<2>,5|C<3>}	120.8350	0.000	1	120.8350	0.000	1	121.2200	0.142	3	119.0009	4.180	14	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:4:3:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]2C[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]2C[6])(C[6a]C[6a]H){3|C<4>,3|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3){1|C<4>,2|C<3>,3|H<1>}	121.2380	0.000	1	121.2380	0.000	1	121.2200	0.142	3	119.0009	4.180	14	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:4:3:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|Cl<1>,2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CH3){1|C<4>,2|H<1>,3|C<3>}	121.5870	0.000	1	121.5870	0.000	1	121.2200	0.142	3	119.0009	4.180	14	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:4:3:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6]CH)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6]CH)(C[6a]C[6a]H){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(SC[6a]OO){1|C<4>,1|H<1>,6|C<3>}	117.6340	0.000	1	117.6340	0.000	1	117.6340	0.000	1	119.0009	4.180	14	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:4:3:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a,6a]-3:C[6,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6,6]-4:C-4:	C[6,6a](C[6,6a]C[6a,6a]C[6,6])(C[6a]C[6a]H)(N[6]C[6,6]C)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]N[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CH3)	C[6,6a](C[6,6a]C[6a,6a]C[6,6])(C[6a]C[6a]H)(N[6]C[6,6]C){1|Br<1>,2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]N[6]){1|O<1>,3|C<3>,3|C<4>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CH3){2|C<3>,2|C<4>,5|H<1>}	121.9200	0.000	1	121.9200	0.000	1	121.9200	0.000	1	119.0009	4.180	14	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:4:3:	4:3:1:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6]-4:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6,6a]C[6,6a]C[6])(N[6]C[6,6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6]C[6,6]O[6]H)(C[6a]C[6a]H)	N[6](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6,6a]2)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6,6a]C[6,6a]C[6])(N[6]C[6,6]H){1|O<1>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6]C[6,6]O[6]H)(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	N[6](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6,6a]2)(H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	119.5890	0.000	1	119.5890	0.000	1	119.5070	0.013	2	120.8287	2.449	4	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:4:3:	4:3:1:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6]-4:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6,6a]C[6,6a]C[6])(N[6]C[6,6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6]C[6,6]O[6]H)(C[6a]C[6a]H)	N[6](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6,6a]2)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6,6a]C[6,6a]C[6])(N[6]C[6,6]H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6]C[6,6]O[6]H)(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	N[6](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6,6a]2)(H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	119.4250	0.000	1	119.4250	0.000	1	119.5070	0.013	2	120.8287	2.449	4	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:4:3:	4:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5,6]-4:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5a]C[6]H)(C[6a]C[6a]H)	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5a]C[6]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	121.7340	0.000	1	121.7340	0.000	1	122.1505	0.347	2	120.8287	2.449	4	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:4:3:	4:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5,6]-4:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H)	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H){2|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	122.5670	0.000	1	122.5670	0.000	1	122.1505	0.347	2	120.8287	2.449	4	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:4:3:	4:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5,6]HH)(C[6a]C[6a]H)	N[6](C[5,6]C[5,6]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(CHHN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]C){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5,6]HH)(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>}	N[6](C[5,6]C[5,6]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(CHHN){2|C<3>,2|C<4>,2|H<1>,2|N<3>}	119.9580	0.000	1	119.9580	0.000	1	119.9580	0.000	1	118.2477	2.204	3	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:4:3:	4:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5,6,6]-4:C[6,6a]-3:S-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[5,6,6]S)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6,6]CH)(C[6a]C[6a]H)	N[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6,6a]C[6a])(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[5,6,6]S)(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6,6]CH)(C[6a]C[6a]H){1|C<3>,1|S<4>,2|C<4>,3|H<1>}	N[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6,6a]C[6a])(SC[6a]OO){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	117.2920	0.000	1	117.2920	0.000	1	117.3925	0.020	2	118.2477	2.204	3	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:4:3:	4:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5,6,6]-4:C[6,6a]-3:S-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[5,6,6]S)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6,6]HH)(C[6a]C[6a]H)	N[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6,6a]C[6a])(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[5,6,6]S)(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6,6]HH)(C[6a]C[6a]H){1|C<3>,1|S<4>,2|C<4>,3|H<1>}	N[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6,6a]C[6a])(SC[6a]OO){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	117.4930	0.000	1	117.4930	0.000	1	117.3925	0.020	2	118.2477	2.204	3	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:2:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:O[6]-2:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]O[6]H)	C[6,6a](C[5,6]C[5,6]C[5]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]O[6]H){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[5,6]C[5,6]C[5]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(H){1|H<1>,2|C<3>,3|C<4>}	118.2350	0.000	1	118.2350	0.000	1	118.2350	0.000	1	118.2350	0.000	1	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:2:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-2:S-4:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[6,6]C[5a,6]C[6,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6])(SC[6a]OO)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6]C[5a,6]C[6,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<2>,1|C<4>,1|S<4>,2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6])(SC[6a]OO){1|H<1>,2|C<4>,3|C<3>}	116.1060	0.000	1	116.1060	0.000	1	116.1060	0.000	1	116.1060	0.000	1	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	B[5a,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]B[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](B[5a,6]O[5a]2N[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(H)	C[6,6a](C[6,6a]B[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>,2|O<2>}	C[6,6a](B[5a,6]O[5a]2N[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){4|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(H){1|B<4>,2|C<3>,2|H<1>}	119.6130	0.000	1	119.6130	0.000	1	119.6130	0.000	1	120.1646	1.646	62	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	B[6,6a]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]B[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](B[6,6a]N[6,6a]O[6a]O)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6a]H)(H)	C[6,6a](C[6,6a]B[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|N<3>,2|O<2>,3|H<1>}	C[6,6a](B[6,6a]N[6,6a]O[6a]O)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|B<3>,3|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6a]H)(H){1|B<4>,1|H<1>,3|C<3>}	119.2420	0.000	1	119.2420	0.000	1	119.2793	0.018	3	120.1646	1.646	62	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	B[6,6a]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]B[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](B[6,6a]O[6a]2N[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(H)	C[6,6a](C[6,6a]B[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>,2|O<2>}	C[6,6a](B[6,6a]O[6a]2N[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){4|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(H){1|B<4>,2|C<3>,2|H<1>}	119.2980	0.182	2	119.2980	0.033	2	119.2793	0.018	3	120.1646	1.646	62	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	B[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6a](C[6,6a]C[6a]B[6])(C[6a]C[6a]H)(N[6]C[6,6]H)	C[6,6a](B[6]N[6,6]C[6a]2)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6])(H)	C[6,6a](C[6,6a]C[6a]B[6])(C[6a]C[6a]H)(N[6]C[6,6]H){1|N<3>,2|H<1>,4|C<3>}	C[6,6a](B[6]N[6,6]C[6a]2)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){3|H<1>,7|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6])(H){1|B<4>,2|H<1>,4|C<3>}	118.7320	0.000	1	118.7320	0.000	1	119.0115	0.156	2	120.1646	1.646	62	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	B[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6a](C[6,6a]C[6a]B[6])(C[6a]C[6a]H)(N[6]C[6,6]H)	C[6,6a](B[6]N[6,6]C[6a]F)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6])(H)	C[6,6a](C[6,6a]C[6a]B[6])(C[6a]C[6a]H)(N[6]C[6,6]H){1|F<1>,1|N<3>,2|H<1>,3|C<3>}	C[6,6a](B[6]N[6,6]C[6a]F)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){3|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6])(H){1|B<4>,2|H<1>,4|C<3>}	119.2910	0.000	1	119.2910	0.000	1	119.0115	0.156	2	120.1646	1.646	62	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[4,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[4,6]C[4,5]C[4,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]O)(H)	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6,6a](C[4,6]C[4,5]C[4,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,1|I<1>,1|O<2>,3|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]O)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	120.7400	0.000	1	120.7400	0.000	1	119.5887	3.888	3	120.1646	1.646	62	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[4,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[4,6]C[4,6]C[4]O)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]O)(H)	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6,6a](C[4,6]C[4,6]C[4]O)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]O)(H){2|C<3>,2|C<4>,2|H<1>}	120.7140	0.000	1	120.7140	0.000	1	119.5887	3.888	3	120.1646	1.646	62	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[4,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[4,6]C[4,6]C[4]O[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(H)	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6,6a](C[4,6]C[4,6]C[4]O[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){3|C<3>,3|C<4>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(H){1|C<4>,1|H<1>,2|C<3>}	117.3120	0.000	1	117.3120	0.000	1	119.5887	3.888	3	120.1646	1.646	62	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[5,5,6]C[3x5,6]C[5,6]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(H)	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6,6a](C[5,5,6]C[3x5,6]C[5,6]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,3|C<4>,6|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(H){2|C<3>,2|C<4>,2|H<1>}	120.5995	0.381	2	120.5995	0.145	2	120.4733	0.101	13	120.1646	1.646	62	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(H)	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6,6a](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<4>,3|C<3>,6|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(H){2|C<3>,2|C<4>,2|H<1>}	120.0405	0.388	2	120.4082	0.177	6	120.4733	0.101	13	120.1646	1.646	62	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(H)	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6,6a](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|C<4>,6|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(H){1|H<1>,2|C<4>,3|C<3>}	120.7005	0.385	2	120.4082	0.177	6	120.4733	0.101	13	120.1646	1.646	62	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(H)	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<4>,3|C<3>,5|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(H){2|C<3>,2|C<4>,2|H<1>}	120.4835	0.367	2	120.4082	0.177	6	120.4733	0.101	13	120.1646	1.646	62	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[5,5,6]C[5,5,6]C[5]N[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,5,6]O)(H)	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[5,5,6]C[5,5,6]C[5]N[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,3|H<1>,4|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,5,6]O)(H){1|H<1>,2|C<3>,3|C<4>}	120.4428	0.134	4	120.4428	0.018	4	120.4733	0.101	13	120.1646	1.646	62	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[5,5,6]C[5,5,6]N[5,6]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,5,6]O)(H)	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[5,5,6]C[5,5,6]N[5,6]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,3|H<1>,4|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,5,6]O)(H){1|H<1>,2|C<3>,3|C<4>}	120.7340	0.000	1	120.7340	0.000	1	120.4733	0.101	13	120.1646	1.646	62	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]H)	C[6,6a](C[5,6,6]C[5,6,6a]C[5,6a]C[3x6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]C[6])(H)	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]H){2|H<1>,5|C<3>}	C[6,6a](C[5,6,6]C[5,6,6a]C[5,6a]C[3x6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,7|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]C[6])(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	120.0990	0.000	1	120.0990	0.000	1	120.0990	0.000	1	120.1646	1.646	62	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[5,6]H)	C[6,6a](C[5,6]C[5,6]2C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[5,6]C[5,6a]C[5,6])(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[5,6]H){2|H<1>,5|C<3>}	C[6,6a](C[5,6]C[5,6]2C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,3|H<1>,5|C<3>}	N[6](C[5,6]C[5,6a]C[5,6])(C[6,6a]C[6,6a]C[6a])(H){1|C<4>,1|H<1>,5|C<3>}	121.0180	0.000	1	121.0180	0.000	1	121.0180	0.000	1	120.1646	1.646	62	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[5,6]C[5,6]C[5]Fe)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|Fe<10>,1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6,6a](C[5,6]C[5,6]C[5]Fe)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(H){1|Fe<10>,1|H<1>,2|C<3>,2|C<4>}	120.6200	0.000	1	120.6200	0.000	1	119.6288	0.433	12	120.1646	1.646	62	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(H){1|H<1>,2|C<4>,3|C<3>}	119.7070	0.341	3	119.5644	0.097	5	119.6288	0.433	12	120.1646	1.646	62	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|C<4>,4|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(H){1|H<1>,2|C<4>,3|C<3>}	119.3505	0.040	2	119.5644	0.097	5	119.6288	0.433	12	120.1646	1.646	62	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[5,6]C[5,6]N[5]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|N<2>,1|O<1>,2|C<4>,2|H<1>}	C[6,6a](C[5,6]C[5,6]N[5]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|S<2>,3|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(H){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	120.5275	0.006	2	120.5275	0.000	2	119.6288	0.433	12	120.1646	1.646	62	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(H){1|H<1>,2|C<4>,3|C<3>}	119.3640	0.000	1	119.3640	0.000	1	119.6288	0.433	12	120.1646	1.646	62	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[5,6]C[5,6a]N[5,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]O)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6,6a](C[5,6]C[5,6a]N[5,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|S<4>,3|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]O)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	119.0230	0.000	1	119.0230	0.000	1	119.6288	0.433	12	120.1646	1.646	62	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]O)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){3|C<3>,3|C<4>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]O)(H){1|H<1>,2|C<3>,2|C<4>}	118.6810	0.000	1	118.6810	0.000	1	119.6288	0.433	12	120.1646	1.646	62	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[5,6]N[5,6]S[5]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]C)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|N<3>,1|S<2>,2|C<3>,2|H<1>}	C[6,6a](C[5,6]N[5,6]S[5]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]C)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	118.9800	0.000	1	118.9800	0.000	1	119.6288	0.433	12	120.1646	1.646	62	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6]C[6,6]C[6]O)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]O)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|C<3>,3|C<4>,5|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)(H){1|H<1>,2|C<3>,3|C<4>}	119.1573	0.122	3	119.1573	0.015	3	119.1573	0.015	3	120.1646	1.646	62	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H)	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H){1|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	120.2300	0.000	1	120.2300	0.000	1	120.2300	0.000	1	120.1646	1.646	62	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(N[6]C[6,6]H)	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[5,6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(N[6]C[6,6]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[5,6a]H){1|O<2>,2|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H){2|C<4>,3|C<3>,3|H<1>}	119.7020	0.267	3	119.7020	0.071	3	119.5913	0.097	4	120.1646	1.646	62	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]H)	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]H){1|O<2>,3|C<3>,3|H<1>}	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|O<2>,2|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6])(H){1|B<4>,1|C<4>,1|H<1>,3|C<3>}	119.2590	0.000	1	119.2590	0.000	1	119.5913	0.097	4	120.1646	1.646	62	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	P[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6a](C[6,6a]C[6a]P[6])(C[6a]C[6a]H)(N[6]C[6,6]H)	C[6,6a](P[6]C[6,6]C[6a]2)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]P[6])(H)	C[6,6a](C[6,6a]C[6a]P[6])(C[6a]C[6a]H)(N[6]C[6,6]H){1|P<4>,2|H<1>,4|C<3>}	C[6,6a](P[6]C[6,6]C[6a]2)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|N<3>,3|H<1>,6|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]P[6])(H){1|H<1>,1|N<3>,1|P<4>,5|C<3>}	122.4770	0.590	2	122.4770	0.348	2	122.4770	0.348	2	120.1646	1.646	62	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6]C[6,6a]H)(C[6a]C[6a]H)	C[6,6a](C[5,6]C[5,6,6a]C[5,6a]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6]C[6,6a]H)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6,6a]C[5,6a]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){3|H<1>,5|C<3>}	N[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(H){1|C<4>,2|H<1>,4|C<3>}	120.8385	0.158	2	120.8385	0.025	2	120.0700	0.883	4	120.1646	1.646	62	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6]C[6,6a]H)(C[6a]C[6a]H)	C[6,6a](C[5,6]C[6,6a]C[5]N[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6]C[6,6a]H)(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6,6a](C[5,6]C[6,6a]C[5]N[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|S<2>,4|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(H){1|C<4>,2|H<1>,4|C<3>}	119.3015	0.513	2	119.3015	0.263	2	120.0700	0.883	4	120.1646	1.646	62	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(N[6]C[6,6a]H)(C[6a]C[6a]H)	C[6,6a](C[6,6]C[6,6a]N[5,6]N[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(N[6]C[6,6a]H)(C[6a]C[6a]H){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6]C[6,6a]N[5,6]N[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(H){1|C<4>,2|H<1>,4|C<3>}	120.1595	0.176	2	120.1595	0.031	2	120.1595	0.031	2	120.1646	1.646	62	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	C[6,6a](C[6]C[5x3,5x5,20x6]C[6,6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){1|C<6>,3|C<3>,3|H<1>}	C[6,6a](C[6]C[5x3,5x5,20x6]C[6,6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<6>,3|C<3>,3|H<1>,4|B<6>}	N[6](C[6,6a]C[6,6a]C[6a])2(H){1|C<4>,2|H<1>,4|C<3>}	120.1125	0.426	2	120.1125	0.182	2	119.5215	0.623	6	120.1646	1.646	62	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){4|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(H){1|C<4>,2|H<1>,4|C<3>}	118.5575	0.114	2	118.5575	0.013	2	119.5215	0.623	6	120.1646	1.646	62	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	C[6,6a](C[6]C[6,6a]C[6a]2)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]2)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|H<1>,8|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(H){1|C<4>,2|H<1>,4|C<3>}	119.8945	0.292	2	119.8945	0.085	2	119.5215	0.623	6	120.1646	1.646	62	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:N[6]-3:C[6a]-3:	P[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]P[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	C[6,6a](P[6]C[6,6a]C[6a]S)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]P[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){1|S<1>,2|H<1>,4|C<3>}	C[6,6a](P[6]C[6,6a]C[6a]S)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){3|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(H){1|P<4>,2|H<1>,4|C<3>}	122.7015	0.262	2	122.7015	0.069	2	122.7015	0.069	2	120.1646	1.646	62	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:N[6]-3:N[6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6]C[5a,6]H)(N[6a]C[6a]H)	C[6,6a](C[5,6]C[5,6a]C[5a,6]C[5])(C[6,6a]N[6a]N[6])(C[6a]N[6a]O)	N[6](C[5a,6]C[5a,6]O[5a])(C[6,6a]C[6,6a]N[6a])(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6]C[5a,6]H)(N[6a]C[6a]H){1|N<3>,1|O<2>,2|O<1>,3|C<3>}	C[6,6a](C[5,6]C[5,6a]C[5a,6]C[5])(C[6,6a]N[6a]N[6])(C[6a]N[6a]O){1|N<3>,1|O<1>,3|H<1>,5|C<3>}	N[6](C[5a,6]C[5a,6]O[5a])(C[6,6a]C[6,6a]N[6a])(H){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	124.2370	0.000	1	124.2370	0.000	1	124.2370	0.000	1	120.1646	1.646	62	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:N[6]-3:N[6a]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(N[6a]C[6a]H)	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]N[6a]N[6])(C[6a]N[6a]O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(N[6a]C[6a]H){1|H<1>,1|N<3>,2|O<1>,3|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]N[6a]N[6])(C[6a]N[6a]O){3|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(H){1|C<4>,2|H<1>,4|C<3>}	124.7630	0.000	1	124.7630	0.000	1	124.7630	0.000	1	120.1646	1.646	62	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(COO)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|Br<1>,2|C<4>,2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(COO){2|C<3>,2|C<4>,2|H<1>}	119.1670	0.000	1	119.3220	0.048	2	119.3220	0.048	2	119.7621	1.908	46	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(COO)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(COO){2|C<3>,2|C<4>,2|H<1>}	119.4770	0.000	1	119.3220	0.048	2	119.3220	0.048	2	119.7621	1.908	46	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[5,6]C[5,6,6a]C[5,6a]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,6|C<3>}	C[6,6a](C[5,6]C[5,6,6a]C[5,6a]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|H<1>,6|C<3>}	N[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2){1|C<4>,4|H<1>,6|C<3>}	119.9020	0.133	2	119.9020	0.018	2	120.3383	0.293	14	119.7621	1.908	46	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|H<1>,8|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|C<4>,4|H<1>,6|C<3>}	120.3367	0.575	10	120.3367	0.330	10	120.3383	0.293	14	119.7621	1.908	46	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[5,6]C[5,6a]C[6,6a]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|H<1>,8|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|C<4>,4|H<1>,6|C<3>}	120.7825	0.217	2	120.7825	0.047	2	120.3383	0.293	14	119.7621	1.908	46	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:B-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]B)(C[6a]C[6a]H)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(BN[6]Cl)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]B)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|B<3>,3|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(BN[6]Cl){1|C<4>,2|H<1>,4|C<3>}	117.3602	0.798	4	117.3602	0.637	4	117.3602	0.637	4	119.7621	1.908	46	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(CCH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|H<1>,6|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(CCH){1|C<4>,2|H<1>,4|C<3>}	120.0765	0.333	2	120.0765	0.111	2	120.0765	0.111	2	119.7621	1.908	46	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6]C[6,6a]C[6a]2)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]2)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|H<1>,8|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|C<4>,1|N<2>,4|H<1>,5|C<3>}	118.7875	0.677	2	119.2109	0.619	10	119.0678	0.620	12	119.7621	1.908	46	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6]C[6,6a]C[6a]2)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]2)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|H<1>,8|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|C<4>,4|H<1>,6|C<3>}	119.3167	0.816	8	119.2109	0.619	10	119.0678	0.620	12	119.7621	1.908	46	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]O)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|O<2>,2|H<1>,6|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]O){2|H<1>,6|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|C<4>,4|H<1>,6|C<3>}	118.3525	0.156	2	118.3525	0.024	2	119.0678	0.620	12	119.7621	1.908	46	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	Ge[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]Ge[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](Ge[6]C[6,6a]C[6a]2)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]Ge[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[6,6a](Ge[6]C[6,6a]C[6a]2)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,8|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|Ge<4>,4|H<1>,6|C<3>}	119.5360	0.468	2	119.5360	0.219	2	119.5360	0.219	2	119.7621	1.908	46	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	P[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-3:	C[6,6a](C[6,6a]C[6a]P[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](P[6]C[6,6a]C[6a]S)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(COO)	C[6,6a](C[6,6a]C[6a]P[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|S<1>,2|H<1>,4|C<3>}	C[6,6a](P[6]C[6,6a]C[6a]S)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|H<1>,6|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(COO){1|P<4>,2|H<1>,4|C<3>}	118.2845	0.794	2	118.2845	0.631	2	118.2845	0.631	2	119.7621	1.908	46	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	P[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]P[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](P[6]C[6,6a]C[6a]B)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]P[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|B<4>,2|H<1>,6|C<3>}	C[6,6a](P[6]C[6,6a]C[6a]B)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|H<1>,6|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|P<4>,4|H<1>,6|C<3>}	121.5983	0.255	4	121.5983	0.065	4	121.4535	1.554	8	119.7621	1.908	46	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	P[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]P[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](P[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]P[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|O<1>,2|H<1>,6|C<3>}	C[6,6a](P[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|H<1>,6|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|P<4>,4|H<1>,6|C<3>}	122.9285	0.139	2	122.9285	0.019	2	121.4535	1.554	8	119.7621	1.908	46	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	P[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]P[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](P[6]C[6,6a]C[6a]S)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]P[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|S<1>,2|H<1>,6|C<3>}	C[6,6a](P[6]C[6,6a]C[6a]S)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|H<1>,6|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|P<4>,4|H<1>,6|C<3>}	119.6890	0.020	2	119.6890	0.000	2	121.4535	1.554	8	119.7621	1.908	46	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-3:S-4:	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(N[6]C[5,6]S)	C[6,6a](C[3,6]C[3,5,6]C[3]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[3,5,6]N[5])(SC[6a]OO)	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(N[6]C[5,6]S){1|C<3>,1|N<2>,2|C<4>,3|H<1>}	C[6,6a](C[3,6]C[3,5,6]C[3]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|S<4>,3|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[3,5,6]N[5])(SC[6a]OO){1|H<1>,2|C<4>,4|C<3>}	119.0430	0.000	1	119.0430	0.000	1	119.0430	0.000	1	119.7912	1.366	47	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:S-4:	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[3,6]C[3]C[6]N[3])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(SC[6a]OO)	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[3,6]C[3]C[6]N[3])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|S<4>,2|C<4>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(SC[6a]OO){1|H<1>,2|C<3>,3|C<4>}	117.1633	0.843	3	117.1633	0.711	3	117.1633	0.711	3	119.7912	1.366	47	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[4,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[4,6]C[3,4]C[4,6]C[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]O)(CH3)	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[4,6]C[3,4]C[4,6]C[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|H<1>,4|C<3>,5|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]O)(CH3){1|H<1>,2|C<3>,3|C<4>}	120.7570	0.591	2	120.7570	0.349	2	121.0431	0.157	8	119.7912	1.366	47	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[4,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[4,6]C[4,5,6]C[4]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,5,6]O)(CCHH)	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6,6a](C[4,6]C[4,5,6]C[4]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,5,6]O)(CCHH){1|H<1>,2|C<4>,3|C<3>}	120.6320	0.000	1	120.6320	0.000	1	121.0431	0.157	8	119.7912	1.366	47	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[4,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[4,6]C[4,6]C[4]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]O)(CCHH)	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6,6a](C[4,6]C[4,6]C[4]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<2>,2|H<1>,3|C<3>,3|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]O)(CCHH){1|H<1>,2|C<4>,3|C<3>}	121.2580	0.000	1	121.1160	0.040	2	121.0431	0.157	8	119.7912	1.366	47	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[4,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[4,6]C[4,6]C[4]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]O)(CCHH)	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6,6a](C[4,6]C[4,6]C[4]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>,3|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]O)(CCHH){1|H<1>,2|C<4>,3|C<3>}	120.9740	0.000	1	121.1160	0.040	2	121.0431	0.157	8	119.7912	1.366	47	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[4,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[4,6]C[4,6]C[4]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]O)(CH3)	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[4,6]C[4,6]C[4]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<2>,2|C<3>,2|H<1>,4|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]O)(CH3){1|H<1>,2|C<3>,3|C<4>}	121.4605	0.142	2	121.4605	0.020	2	121.0431	0.157	8	119.7912	1.366	47	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[4,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[4,6]N[4,6]C[4]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[4,6]O)(CC[6a]HH)	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[6,6a](C[4,6]N[4,6]C[4]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,3|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[4,6]O)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	121.0460	0.000	1	121.0460	0.000	1	121.0431	0.157	8	119.7912	1.366	47	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[5,6]C[5,6]C[5]Fe)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(CH3)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|Fe<10>,1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6,6a](C[5,6]C[5,6]C[5]Fe)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|C<3>,3|C<4>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(CH3){1|Fe<10>,1|H<1>,2|C<3>,2|C<4>}	120.8570	0.124	2	120.8570	0.015	2	120.5693	0.317	10	119.7912	1.366	47	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[5,6]C[5,6]C[5]O)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(CH3)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6,6a](C[5,6]C[5,6]C[5]O)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){3|C<3>,3|H<1>,4|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(CH3){1|H<1>,2|C<3>,3|C<4>}	120.1490	0.000	1	120.1490	0.000	1	120.5693	0.317	10	119.7912	1.366	47	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(CH3)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|H<1>,3|C<4>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(CH3){1|H<1>,2|C<3>,3|C<4>}	120.9550	0.441	2	120.9550	0.195	2	120.5693	0.317	10	119.7912	1.366	47	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[5,6]N[5,6]C[5]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]O)(CC[6a]HH)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[6,6a](C[5,6]N[5,6]C[5]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,1|N<2>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]O)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	121.0735	0.343	2	120.5727	0.374	4	120.5693	0.317	10	119.7912	1.366	47	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[5,6]N[5,6]C[5]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]O)(CC[6a]HH)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[5,6]N[5,6]C[5]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,2|C<4>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	120.0720	0.000	2	120.5727	0.374	4	120.5693	0.317	10	119.7912	1.366	47	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(N[6]C[6]C)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(CC[6a]HH)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(N[6]C[6]C){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(CC[6a]HH){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	119.6290	0.000	1	119.6290	0.000	1	120.5693	0.317	10	119.7912	1.366	47	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:S-4:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[5,6]C[5,6]C[5]N)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(SC[6a]OO)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[5,6]C[5,6]C[5]N)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|N<2>,1|S<4>,2|C<4>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(SC[6a]OO){1|H<1>,2|C<3>,3|C<4>}	119.1620	0.000	1	119.1620	0.000	1	118.9225	0.115	2	119.7912	1.366	47	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:S-4:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(SC[6a]OO)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|S<4>,2|C<3>,2|C<4>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(SC[6a]OO){2|C<3>,2|C<4>,2|H<1>}	118.6830	0.000	1	118.6830	0.000	1	118.9225	0.115	2	119.7912	1.366	47	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-3:C-4:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]C)	C[6,6a](C[6,6]C[6,6a]C[6,6]O[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(CH3)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]C){1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6]C[6,6a]C[6,6]O[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,6|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(CH3){1|C<4>,2|H<1>,4|C<3>}	119.1500	0.000	1	119.1500	0.000	1	119.1500	0.000	1	119.7912	1.366	47	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6]C[6,6]O[6]O)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)(CH3)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|O<2>}	C[6,6a](C[6,6]C[6,6]O[6]O)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|Cl<1>,2|C<3>,2|H<1>,3|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)(CH3){1|Cl<1>,1|H<1>,2|C<3>,2|C<4>}	118.9960	0.000	1	118.9960	0.000	1	119.3455	0.244	2	119.7912	1.366	47	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6]N[6,6]C[6]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]O)(CC[6a]HH)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[6,6a](C[6,6]N[6,6]C[6]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,3|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]O)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	119.6950	0.000	1	119.6950	0.000	1	119.3455	0.244	2	119.7912	1.366	47	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(CH3)	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(CH3){1|C<4>,2|H<1>,4|C<3>}	120.0850	0.324	4	120.0850	0.105	4	120.0850	0.105	4	119.7912	1.366	47	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6,6]C[6a])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6]C[6,6a]2C[6,6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(CH3)	C[6,6a](C[6,6a]C[6,6]C[6a])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6]C[6,6a]2C[6,6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,8|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(CH3){1|C<4>,2|H<1>,4|C<3>}	120.5335	0.218	2	120.5335	0.048	2	120.5335	0.048	2	119.7912	1.366	47	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6]-4:C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a,6a]C[6,6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6]C[6,6,6a]C[6,6a]H)(C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]N[6])	N[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CCHH)	C[6,6a](C[6,6a]C[6a,6a]C[6,6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6,6a](C[6,6]C[6,6,6a]C[6,6a]H)(C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]N[6]){1|C<4>,2|H<1>,7|C<3>}	N[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CCHH){1|C<4>,2|H<1>,4|C<3>}	119.0180	0.000	1	119.0180	0.000	1	119.0180	0.000	1	119.7912	1.366	47	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6]C[6,6a]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6]C[6,6a]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(CH3){1|C<4>,2|H<1>,4|C<3>}	119.4925	0.120	2	119.9600	0.455	4	119.1925	0.655	13	119.7912	1.366	47	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6]C[6,6a]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6,6a](C[6]C[6,6a]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(CH3){1|C<4>,2|H<1>,4|C<3>}	120.4275	0.689	2	119.9600	0.455	4	119.1925	0.655	13	119.7912	1.366	47	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6]C[6,6a]C[6a]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(CH3){1|C<4>,2|H<1>,4|C<3>}	117.5470	0.000	1	118.6579	0.318	7	119.1925	0.655	13	119.7912	1.366	47	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6]C[6,6a]C[6a]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|H<1>,2|C<4>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(CH3){1|C<4>,2|H<1>,4|C<3>}	118.8430	0.307	6	118.6579	0.318	7	119.1925	0.655	13	119.7912	1.366	47	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(CH3){1|C<4>,2|H<1>,4|C<3>}	119.5290	0.088	2	119.5290	0.008	2	119.1925	0.655	13	119.7912	1.366	47	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:4:1:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6,6a]C[6,6a]C[6])(N[6]C[6]H)	C[6,6a](C[5,6]C[5,5a]C[5,6]H)(C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]2)(C[6]C[5,6]CC)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6,6a]C[6,6a]C[6])(N[6]C[6]H){1|O<1>,2|H<1>,3|C<4>,4|C<3>}	C[6,6a](C[5,6]C[5,5a]C[5,6]H)(C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]2)(C[6]C[5,6]CC)(H){1|H<1>,2|C<4>,3|C<3>}	119.8250	0.178	2	119.8250	0.032	2	119.8250	0.032	2	120.8376	0.509	49	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[3x6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]H)	C[6,6a](C[3x6]C[6,6]O[6,6]C[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]O[6,6]C[6]H)(H)	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[3x6]C[6,6]O[6,6]C[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]O[6,6]C[6]H)(H){1|C<4>,2|H<1>,3|C<3>}	120.1370	0.000	1	120.1370	0.000	1	120.1370	0.000	1	120.8376	0.509	49	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[4x6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a](C[6,6a]C[4x6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]H)	C[6,6a](C[4x6]C[4x6]C[6,6]C[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[4x6]N[6]H)(H)	C[6,6a](C[6,6a]C[4x6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]H){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	C[6,6a](C[4x6]C[4x6]C[6,6]C[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|C<3>,2|N<3>,3|C<4>,6|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[4x6]N[6]H)(H){1|H<1>,3|C<3>,4|C<4>}	120.5545	0.494	2	120.5545	0.244	2	120.5545	0.244	2	120.8376	0.509	49	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,5,6,6]CH)(H)	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,3|C<4>,4|H<1>}	C[6,6a](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|N<2>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,5,6,6]CH)(H){1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	121.6640	0.000	1	121.6640	0.000	1	121.6080	0.006	2	120.8376	0.509	49	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[5,6,6]C[5,6a]C[5,6]C[6,6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[5,6,6]C[5,6a]C[5,6]C[6,6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|Cl<1>,3|C<4>,3|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H){2|C<3>,2|C<4>,2|H<1>}	121.5520	0.000	1	121.5520	0.000	1	121.6080	0.006	2	120.8376	0.509	49	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[5,6]H)	C[6,6a](C[5,6]C[5,6]C[5]2)(C[6,6a]C[6a]N[6])(C[6a]C[6a]O)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]2)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[5,6]H){2|C<4>,2|O<2>,4|C<3>}	C[6,6a](C[5,6]C[5,6]C[5]2)(C[6,6a]C[6a]N[6])(C[6a]C[6a]O){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]2)(H){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	120.3220	0.000	1	120.3220	0.000	1	120.8175	0.491	2	120.8376	0.509	49	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[5,6]H)	C[6,6a](C[5,6]C[5,6]N[5]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[5,6]H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[5,6]C[5,6]N[5]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	121.3130	0.000	1	121.3130	0.000	1	120.8175	0.491	2	120.8376	0.509	49	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]Br)(N[6]C[6]H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]Br)(N[6]C[6]H){1|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|Br<1>,2|C<3>,2|C<4>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H){1|Br<1>,1|H<1>,2|C<4>,4|C<3>}	120.8500	0.000	1	120.8500	0.000	1	120.7653	0.649	19	120.8376	0.509	49	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]C)(N[6]C[6]H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]C)(N[6]C[6]H){2|C<3>,2|C<4>,4|H<1>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|O<2>,2|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H){1|C<4>,1|O<2>,6|C<3>}	119.7930	0.000	1	119.4110	0.292	2	120.7653	0.649	19	120.8376	0.509	49	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]C)(N[6]C[6]H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]C)(N[6]C[6]H){2|C<3>,2|C<4>,4|H<1>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|Cl<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H){1|C<4>,1|O<2>,6|C<3>}	119.0290	0.000	1	119.4110	0.292	2	120.7653	0.649	19	120.8376	0.509	49	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[5a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[5a]H)(H){2|C<4>,2|H<1>,4|C<3>}	121.4640	0.000	1	121.4640	0.000	1	120.7653	0.649	19	120.8376	0.509	49	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|Br<1>,2|C<3>,2|C<4>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H){2|C<4>,2|H<1>,4|C<3>}	122.0100	0.000	1	120.9770	2.134	2	120.7653	0.649	19	120.8376	0.509	49	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H){2|C<4>,2|H<1>,4|C<3>}	119.9440	0.000	1	120.9770	2.134	2	120.7653	0.649	19	120.8376	0.509	49	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CH)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|Br<1>,2|C<3>,3|C<4>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CH)(H){2|C<3>,2|C<4>,2|H<1>}	121.1610	0.000	1	121.1610	0.000	1	120.7653	0.649	19	120.8376	0.509	49	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[3]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|C<3>,3|C<4>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[3]H)(H){2|C<3>,3|H<1>,4|C<4>}	121.6790	0.000	1	121.6790	0.000	1	120.7653	0.649	19	120.8376	0.509	49	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H){2|C<4>,2|H<1>,4|C<3>}	120.8795	0.111	2	120.6506	0.119	5	120.7653	0.649	19	120.8376	0.509	49	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H){2|C<4>,2|H<1>,4|C<3>}	120.5690	0.511	2	120.6506	0.119	5	120.7653	0.649	19	120.8376	0.509	49	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|Cl<1>,1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<3>,1|F<1>,3|C<4>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H){2|C<4>,2|H<1>,4|C<3>}	120.3560	0.000	1	120.6506	0.119	5	120.7653	0.649	19	120.8376	0.509	49	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){3|C<3>,3|C<4>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H){1|N<2>,2|C<4>,2|H<1>,3|C<3>}	121.5180	0.000	1	121.5180	0.000	1	120.7653	0.649	19	120.8376	0.509	49	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[5,6]C[5,6a]C[6]N[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[5,6]C[5,6a]C[6]N[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|Br<1>,1|C<4>,4|C<3>,5|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H){1|C<4>,2|C<3>,3|H<1>}	121.6010	0.294	2	121.6010	0.087	2	120.7653	0.649	19	120.8376	0.509	49	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,5|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	120.2123	0.502	3	120.2123	0.252	3	120.7653	0.649	19	120.8376	0.509	49	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]C)(N[6]C[6,6]H)	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]C)(N[6]C[6,6]H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(H){2|C<3>,3|C<4>,4|H<1>}	120.4900	0.000	1	120.4900	0.000	1	120.3932	0.097	5	120.8376	0.509	49	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]H)	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(H){2|C<3>,2|C<4>,5|H<1>}	120.6030	0.000	1	120.6030	0.000	1	120.3932	0.097	5	120.8376	0.509	49	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]H)	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	120.2910	0.390	3	120.2910	0.152	3	120.3932	0.097	5	120.8376	0.509	49	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H){1|C<4>,2|H<1>,5|C<3>}	120.7800	0.000	1	121.1335	0.250	2	120.8992	0.102	10	120.8376	0.509	49	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){2|C<3>,2|C<4>,4|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	121.4870	0.000	1	121.1335	0.250	2	120.8992	0.102	10	120.8376	0.509	49	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]Cl)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|Cl<1>,1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]Cl){1|C<3>,1|F<1>,3|C<4>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H){2|C<4>,2|H<1>,4|C<3>}	120.5590	0.000	1	120.5590	0.000	1	120.8992	0.102	10	120.8376	0.509	49	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H){2|C<4>,2|H<1>,4|C<3>}	121.2370	0.000	1	120.8809	0.073	7	120.8992	0.102	10	120.8376	0.509	49	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H){2|C<4>,2|H<1>,4|C<3>}	120.7215	0.211	4	120.8809	0.073	7	120.8992	0.102	10	120.8376	0.509	49	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|Cl<1>,1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<3>,1|F<1>,3|C<4>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H){2|C<4>,2|H<1>,4|C<3>}	121.0215	0.197	2	120.8809	0.073	7	120.8992	0.102	10	120.8376	0.509	49	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H)	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H){2|C<3>,2|C<4>,4|H<1>}	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|Br<1>,2|C<4>,3|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	121.4920	0.636	2	121.6332	0.374	6	121.6332	0.374	6	120.8376	0.509	49	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H)	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H){2|C<3>,2|C<4>,4|H<1>}	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|Br<1>,2|C<4>,3|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H){2|C<3>,3|H<1>,4|C<4>}	122.2885	0.136	2	121.6332	0.374	6	121.6332	0.374	6	120.8376	0.509	49	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H)	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H){2|C<3>,2|C<4>,4|H<1>}	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	121.2170	0.000	1	121.6332	0.374	6	121.6332	0.374	6	120.8376	0.509	49	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H)	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H){2|C<3>,2|C<4>,4|H<1>}	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){3|C<3>,3|C<4>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	121.0210	0.000	1	121.6332	0.374	6	121.6332	0.374	6	120.8376	0.509	49	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:4:3:	C[6,6a]-3:C[5,6a]-3:N[6]-3:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[5,6a]C[5,6a]O[5])(N[6]C[6]C)	C[6,6a](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[6,6a]C[5,6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6,6]CO)(COO)	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[5,6a]C[5,6a]O[5])(N[6]C[6]C){1|H<1>,2|C<3>,2|O<2>,4|C<4>}	C[6,6a](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[6,6a]C[5,6a]N[6])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,4|C<4>,5|H<1>}	N[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6,6]CO)(COO){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	118.5150	0.000	1	118.5150	0.000	1	118.5150	0.000	1	117.7439	1.593	13	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[3,6]C[3,6]N[3]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]CH)(CC[6a]O)	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|C<2>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6,6a](C[3,6]C[3,6]N[3]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]CH)(CC[6a]O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	118.6940	0.000	1	118.6940	0.000	1	118.6940	0.000	1	117.7439	1.593	13	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[4,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[4,6]C[4,6]C[4]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]HH)(CCO)	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,2|C<4>,5|H<1>}	C[6,6a](C[4,6]C[4,6]C[4]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]HH)(CCO){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	116.3470	0.000	1	116.3470	0.000	1	116.3470	0.000	1	117.7439	1.593	13	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[5,5,6]C[5,5]C[5,6]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CH)(CCO)	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){2|C<3>,3|C<4>,3|H<1>}	C[6,6a](C[5,5,6]C[5,5]C[5,6]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,4|C<4>,6|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CH)(CCO){2|C<3>,2|C<4>,2|H<1>}	120.0740	0.000	1	120.0740	0.000	1	120.0740	0.000	1	117.7439	1.593	13	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C-3:	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[6]C[5,6]C)	C[6,6a](C[5,6,6]C[5,6]2C[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]S[5]H)(COO)	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[6]C[5,6]C){1|C<3>,1|S<3>,3|C<4>,3|H<1>}	C[6,6a](C[5,6,6]C[5,6]2C[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|S<3>,2|C<4>,3|C<3>,7|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]S[5]H)(COO){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	119.1750	0.000	1	119.1750	0.000	1	119.1750	0.000	1	117.7439	1.593	13	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(CCO)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|C<3>,3|H<1>,4|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(CCO){2|C<4>,2|H<1>,4|C<3>}	116.6240	0.000	1	116.6240	0.000	1	116.6240	0.000	1	117.7439	1.593	13	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]C)	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6]H)(COO)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]C){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6]H)(COO){1|C<4>,1|H<1>,5|C<3>}	118.6105	0.202	2	118.6105	0.041	2	118.6105	0.041	2	117.7439	1.593	13	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(CC[6a]O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]O){2|C<3>,3|C<4>,5|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(CC[6a]O){2|C<3>,2|C<4>,2|H<1>}	116.8250	0.000	1	116.8250	0.000	1	116.8042	0.244	5	117.7439	1.593	13	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(CCO)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){2|C<3>,2|C<4>,4|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|Cl<1>,1|N<3>,2|C<4>,3|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(CCO){1|C<4>,2|H<1>,5|C<3>}	117.5030	0.000	1	117.5030	0.000	1	116.8042	0.244	5	117.7439	1.593	13	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(COO)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){2|C<3>,2|C<4>,4|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(COO){1|C<4>,2|H<1>,5|C<3>}	116.5643	0.398	3	116.5643	0.158	3	116.8042	0.244	5	117.7439	1.593	13	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[3,5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[3,5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[3,5,6]C[3,5]C[5,6]O[3])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(SC[6a]OO)	C[6,6a](C[6,6a]C[3,5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6a](C[3,5,6]C[3,5]C[5,6]O[3])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|S<4>,2|H<1>,3|C<3>,3|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(SC[6a]OO){1|H<1>,2|C<4>,3|C<3>}	119.7020	0.000	1	119.7020	0.000	1	119.7020	0.000	1	118.1512	2.285	21	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[3,6]C[3]C[6]N[3])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO)	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	C[6,6a](C[3,6]C[3]C[6]N[3])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|S<4>,2|C<3>,2|H<1>,3|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO){1|H<1>,2|C<3>,3|C<4>}	117.4070	0.000	1	117.4070	0.000	1	117.4070	0.000	1	118.1512	2.285	21	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[4,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[4,6]C[4,6]C[4]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]HH)(SC[6a]OO)	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,2|C<4>,5|H<1>}	C[6,6a](C[4,6]C[4,6]C[4]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|S<4>,2|C<4>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]HH)(SC[6a]OO){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	119.3540	0.000	1	119.3540	0.000	1	118.3347	0.785	3	118.1512	2.285	21	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[4,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[4,6]C[4,6]C[6a]C[4])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]HH)(SC[6a]OO)	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[4,6]C[4,6]C[6a]C[4])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|S<4>,2|C<4>,3|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]HH)(SC[6a]OO){1|C<4>,2|H<1>,3|C<3>}	117.8250	0.107	2	117.8250	0.012	2	118.3347	0.785	3	118.1512	2.285	21	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C-4:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[5,6]C)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]Br)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(CC[6a]HH)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[5,6]C){1|Br<1>,1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]Br){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(CC[6a]HH){2|C<4>,3|C<3>,3|H<1>}	119.6060	0.000	1	119.6060	0.000	1	119.6060	0.000	1	118.1512	2.285	21	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CH3)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,2|C<3>,5|H<1>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CH3){2|C<3>,2|C<4>,2|H<1>}	119.7780	0.000	1	119.7780	0.000	1	119.8735	0.018	2	118.1512	2.285	21	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CH3)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CH3){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	119.9690	0.000	1	119.9690	0.000	1	119.8735	0.018	2	118.1512	2.285	21	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(SC[6a]OO)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,2|C<4>,5|H<1>}	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,1|S<2>,1|S<4>,3|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(SC[6a]OO){1|C<4>,1|H<1>,4|C<3>}	118.1330	0.000	1	118.6105	0.456	2	118.0258	2.204	5	118.1512	2.285	21	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(SC[6a]OO)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,2|C<4>,5|H<1>}	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|O<2>,1|S<4>,2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(SC[6a]OO){1|C<4>,1|H<1>,4|C<3>}	119.0880	0.000	1	118.6105	0.456	2	118.0258	2.204	5	118.1512	2.285	21	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(SC[6a]OO)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,2|C<4>,5|H<1>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,1|S<4>,4|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(SC[6a]OO){1|C<4>,1|H<1>,4|C<3>}	119.2210	0.000	1	119.2210	0.000	1	118.0258	2.204	5	118.1512	2.285	21	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[5,6]C[5,6]C[5]N)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(SC[6a]OO)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	C[6,6a](C[5,6]C[5,6]C[5]N)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|N<2>,1|S<4>,2|C<3>,2|H<1>,3|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(SC[6a]OO){1|H<1>,2|C<3>,3|C<4>}	115.5300	0.000	1	115.5300	0.000	1	118.0258	2.204	5	118.1512	2.285	21	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[5,6]C[5,6]N[5,5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(SC[6a]OO)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6,6a](C[5,6]C[5,6]N[5,5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|S<4>,2|C<3>,2|H<1>,4|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(SC[6a]OO){1|H<1>,2|C<4>,3|C<3>}	118.1570	0.000	1	118.1570	0.000	1	118.0258	2.204	5	118.1512	2.285	21	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C-4:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]C)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CC[6a]HH)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]C){2|C<3>,2|C<4>,4|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|O<1>,3|C<4>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CC[6a]HH){2|C<3>,2|C<4>,5|H<1>}	119.7310	0.000	1	119.7310	0.000	1	119.7310	0.000	1	118.1512	2.285	21	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[6,6]C[5a,6]C[6,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,2|C<3>,5|H<1>}	C[6,6a](C[6,6]C[5a,6]C[6,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<2>,1|S<4>,2|C<4>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(SC[6a]OO){1|C<2>,1|H<1>,2|C<3>,2|C<4>}	115.9640	0.000	1	116.3740	0.336	2	116.6172	0.702	6	118.1512	2.285	21	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[6,6]C[5a,6]C[6,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,2|C<3>,5|H<1>}	C[6,6a](C[6,6]C[5a,6]C[6,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|S<4>,2|C<4>,2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(SC[6a]OO){1|H<1>,2|C<4>,3|C<3>}	116.7840	0.000	1	116.3740	0.336	2	116.6172	0.702	6	118.1512	2.285	21	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(SC[6a]OO)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|S<4>,2|C<3>,2|C<4>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(SC[6a]OO){2|C<4>,2|H<1>,4|C<3>}	115.9400	0.000	1	115.8765	0.008	2	116.6172	0.702	6	118.1512	2.285	21	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(SC[6a]OO)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){2|C<3>,2|C<4>,4|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|S<4>,3|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(SC[6a]OO){1|C<4>,2|H<1>,5|C<3>}	115.8130	0.000	1	115.8765	0.008	2	116.6172	0.702	6	118.1512	2.285	21	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,2|C<4>,5|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<3>,1|S<4>,3|C<4>,5|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(SC[6a]OO){2|C<3>,2|C<4>,2|H<1>}	117.6840	0.000	1	117.6840	0.000	1	116.6172	0.702	6	118.1512	2.285	21	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,2|C<3>,5|H<1>}	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<2>,1|S<4>,2|C<4>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(SC[6a]OO){1|C<2>,1|H<1>,2|C<3>,2|C<4>}	117.5180	0.000	1	117.5180	0.000	1	116.6172	0.702	6	118.1512	2.285	21	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:4:4:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:S[6]-4:C-4:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]C[6a])(N[6]S[6]C)	C[6,6a](C[5,6]C[5,6]N[5,5]H)(C[6,6a]C[6a,6a]N[6])(C[6a]O[6a]O)	N[6](C[6,6a]C[6a,6a]C[6,6a])(S[6]C[5,6]OO)(CCHH)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]C[6a])(N[6]S[6]C){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>,3|O<1>}	C[6,6a](C[5,6]C[5,6]N[5,5]H)(C[6,6a]C[6a,6a]N[6])(C[6a]O[6a]O){1|H<1>,1|S<4>,2|C<3>,4|C<4>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(S[6]C[5,6]OO)(CCHH){1|H<1>,2|C<4>,3|C<3>}	120.1460	0.000	1	120.1460	0.000	1	120.1460	0.000	1	118.1512	2.285	21	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	4:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[3x6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]H)	C[6,6a](C[3x6]N[3x6]N[6,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6]C[6,6a]N[3x6]H)(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]H){2|C<3>,2|N<3>,4|H<1>}	C[6,6a](C[3x6]N[3x6]N[6,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	N[6](C[6,6]C[6,6a]N[3x6]H)(C[6,6a]C[6,6a]C[6a])(H){1|C<4>,1|H<1>,5|C<3>}	118.8670	0.322	2	118.8670	0.104	2	118.8670	0.104	2	119.1787	2.922	8	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	4:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[5,6]H)	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[5,6]C[5,6,6]N[5]H)(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[5,6]H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	N[6](C[5,6]C[5,6,6]N[5]H)(C[6,6a]C[6,6a]C[6a])(H){1|H<1>,3|C<4>,4|C<3>}	116.8255	0.211	2	116.8255	0.045	2	117.8777	3.344	3	119.1787	2.922	8	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	4:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[5,6]H)	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[5,6]C[5,6,6]O[5]H)(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[5,6]H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,6|H<1>}	N[6](C[5,6]C[5,6,6]O[5]H)(C[6,6a]C[6,6a]C[6a])(H){2|C<3>,2|H<1>,3|C<4>}	119.9820	0.000	1	119.9820	0.000	1	117.8777	3.344	3	119.1787	2.922	8	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	4:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]H)	C[6,6a](C[6,6]C[3x6]O[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6]C[6,6a]C[3x6]H)(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6,6a](C[6,6]C[3x6]O[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	N[6](C[6,6]C[6,6a]C[3x6]H)(C[6,6a]C[6,6a]C[6a])(H){2|C<4>,2|H<1>,4|C<3>}	121.6390	0.000	1	121.6390	0.000	1	120.6877	0.781	3	119.1787	2.922	8	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	4:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]H)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6]C[6,6]C[5a]O[6])(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>,3|C<4>}	N[6](C[6,6]C[6,6]C[5a]O[6])(C[6,6a]C[6,6a]C[6a])(H){1|H<1>,1|O<2>,3|C<4>,4|C<3>}	120.5310	0.000	1	120.5310	0.000	1	120.6877	0.781	3	119.1787	2.922	8	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	4:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]H)	C[6,6a](C[6,6]N[6,6]N[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]H){2|C<3>,2|N<3>,4|H<1>}	C[6,6a](C[6,6]N[6,6]N[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(H){1|H<1>,2|C<4>,4|C<3>}	119.8930	0.000	1	119.8930	0.000	1	120.6877	0.781	3	119.1787	2.922	8	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	4:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]C)	C[6,6a](C[5,6,6]C[5,6,6]C[5,6]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(CC[6a]HH)	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]C){1|C<3>,3|H<1>,4|C<4>}	C[6,6a](C[5,6,6]C[5,6,6]C[5,6]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	N[6](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(CC[6a]HH){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	119.8350	0.000	1	119.8350	0.000	1	119.8350	0.000	1	119.0295	0.778	8	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	4:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]C)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6]C[6,6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a])(CC[6a]HH)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]C){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	N[6](C[6,6]C[6,6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a])(CC[6a]HH){1|C<4>,3|H<1>,5|C<3>}	119.9880	0.000	1	119.9880	0.000	1	119.3602	0.297	5	119.0295	0.778	8	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	4:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]C)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6]C[6,6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a])(CH3)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]C){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>,4|C<4>}	N[6](C[6,6]C[6,6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a])(CH3){1|H<1>,3|C<4>,5|C<3>}	118.9770	0.000	1	119.3320	0.252	2	119.3602	0.297	5	119.0295	0.778	8	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	4:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]C)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6]C[6,6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a])(CH3)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]C){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	N[6](C[6,6]C[6,6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a])(CH3){1|C<4>,3|H<1>,5|C<3>}	119.6870	0.000	1	119.3320	0.252	2	119.3602	0.297	5	119.0295	0.778	8	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	4:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]C)	C[6,6a](C[6,6]N[6,6]N[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(CH3)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]C){2|C<3>,2|N<3>,4|H<1>}	C[6,6a](C[6,6]N[6,6]N[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|C<3>,2|H<1>,4|C<4>}	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(CH3){1|H<1>,2|C<4>,4|C<3>}	119.0745	0.613	2	119.0745	0.376	2	119.3602	0.297	5	119.0295	0.778	8	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	4:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[6,6a]-3:S-4:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]S)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(SC[6a]OO)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]S){2|C<3>,2|C<4>,4|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,1|S<4>,4|C<3>,4|H<1>}	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(SC[6a]OO){1|C<4>,2|H<1>,5|C<3>}	117.8000	0.199	2	117.8000	0.040	2	117.8000	0.040	2	119.0295	0.778	8	119.3625	2.184	3211	119.3633	2.370	3875
643	643	856	6:SP2_SP2_SP3	C[6,6,6a]	C[6,6,6a]	N[3x6]	3:3:3:	3:4:3:	3:3:3:	C[6,6,6a]-3:N[3x6]-3:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(N[3x6]C[6,6,6a]2)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]N[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	N[3x6](C[6,6,6a]C[6,6,6a]C[6a])3	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(N[3x6]C[6,6,6a]2)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6,6,6a](C[6,6,6a]N[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){2|H<1>,5|C<3>}	N[3x6](C[6,6,6a]C[6,6,6a]C[6a])3{1|C<4>,3|H<1>,6|C<3>}	112.5770	0.000	1	112.5770	0.000	1	112.5770	0.000	1	112.5770	0.000	1	114.1615	5.021	2	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6,6a]	C[6,6,6a]	N[3x6]	3:3:3:	3:4:3:	3:4:4:	C[6,6,6a]-3:N[3x6]-3:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(N[3x6]C[6,6]2)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]N[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H)	N[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)2	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(N[3x6]C[6,6]2)(C[6a]C[6a]H){1|C<3>,2|C<4>,7|H<1>}	C[6,6,6a](C[6,6,6a]N[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H){1|C<2>,1|C<3>,2|C<4>,5|H<1>}	N[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)2{1|C<4>,2|C<3>,5|H<1>}	115.7460	0.000	1	115.7460	0.000	1	115.7460	0.000	1	115.7460	0.000	1	114.1615	5.021	2	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6,6a]	C[6,6,6a]	N[6,6]	3:3:3:	3:3:3:	3:4:4:	C[6,6,6a]-3:C[6,6a,6a]-3:N[6,6]-3:	C[6,6,6a]-3:C[6,6a,6a]-3:N[6,6]-3:	C[6,6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6,6a](C[6,6,6a]C[6,6a,6a]N[6,6])(C[6,6a,6a]C[3x6a]C[6,6a])(N[6,6]C[6,6]C[6])	C[6,6,6a](C[6,6,6a]C[6,6a,6a]N[6,6])(C[6,6a,6a]C[3x6a]C[6,6a])(N[6,6]C[6,6]C[6])	N[6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6,6]C[6,6]C[6]H)(C[6]O[6]HH)	C[6,6,6a](C[6,6,6a]C[6,6a,6a]N[6,6])(C[6,6a,6a]C[3x6a]C[6,6a])(N[6,6]C[6,6]C[6]){1|O<2>,3|C<4>,3|H<1>,4|C<3>}	C[6,6,6a](C[6,6,6a]C[6,6a,6a]N[6,6])(C[6,6a,6a]C[3x6a]C[6,6a])(N[6,6]C[6,6]C[6]){1|O<2>,3|C<4>,3|H<1>,4|C<3>}	N[6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6,6]C[6,6]C[6]H)(C[6]O[6]HH){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	122.8340	0.209	2	122.8340	0.044	2	122.8340	0.044	2	122.8340	0.044	2	122.8340	0.044	2	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6,6a]	C[6,6a,6a]	N[6,6]	3:3:3:	3:3:3:	3:4:4:	C[6,6,6a]-3:C[6,6a,6a]-3:N[6,6]-3:	C[6,6,6a]-3:C[3x6a]-3:C[6,6a]-3:	C[6,6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6,6a](C[6,6,6a]C[6,6a,6a]N[6,6])(C[6,6a,6a]C[3x6a]C[6,6a])(N[6,6]C[6,6]C[6])	C[6,6a,6a](C[6,6,6a]C[6,6,6a]N[6,6])(C[3x6a]C[6a,6a]C[3x6a])(C[6,6a]C[6a]O[6])	N[6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6,6]C[6,6]C[6]H)(C[6]O[6]HH)	C[6,6,6a](C[6,6,6a]C[6,6a,6a]N[6,6])(C[6,6a,6a]C[3x6a]C[6,6a])(N[6,6]C[6,6]C[6]){1|O<2>,3|C<4>,3|H<1>,4|C<3>}	C[6,6a,6a](C[6,6,6a]C[6,6,6a]N[6,6])(C[3x6a]C[6a,6a]C[3x6a])(C[6,6a]C[6a]O[6]){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	N[6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6,6]C[6,6]C[6]H)(C[6]O[6]HH){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	117.1330	0.484	2	117.1330	0.234	2	117.1330	0.234	2	116.7043	0.668	3	116.7043	0.668	3	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6,6a]	C[6,6a,6a]	N[6,6]	3:3:3:	3:3:3:	3:4:4:	C[6,6a,6a]-3:C[6,6a]-3:N[6,6]-3:	C[3x6a]-3:C[6,6,6a]-3:C[6,6a]-3:	C[6,6,6a]-3:C[6]-4:C[6]-4:	C[6,6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6,6a]C[6a,6a]N[6])(N[6,6]C[6]2)	C[6,6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6,6,6a]C[6,6a]N[6,6])(C[6,6a]C[6a]O[6])	N[6,6](C[6,6,6a]C[6,6a,6a]C[6,6a])(C[6]C[6]HH)(C[6]O[6]HH)	C[6,6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6,6a]C[6a,6a]N[6])(N[6,6]C[6]2){1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[6,6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6,6,6a]C[6,6a]N[6,6])(C[6,6a]C[6a]O[6]){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	N[6,6](C[6,6,6a]C[6,6a,6a]C[6,6a])(C[6]C[6]HH)(C[6]O[6]HH){1|N<3>,2|H<1>,3|C<3>}	115.8470	0.000	1	115.8470	0.000	1	115.8470	0.000	1	116.7043	0.668	3	116.7043	0.668	3	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6,6a]	C[6,6a]	N[3x6]	3:3:3:	3:4:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:N[3x6]-3:	C[6,6,6a]-3:C[6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:	C[6,6,6a](C[6,6a]C[6a]C[6])2(N[3x6]C[6,6,6a]2)	C[6,6a](C[6,6,6a]C[6,6a]N[3x6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	N[3x6](C[6,6,6a]C[6,6a]2)3	C[6,6,6a](C[6,6a]C[6a]C[6])2(N[3x6]C[6,6,6a]2){2|H<1>,4|C<4>,5|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]N[3x6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	N[3x6](C[6,6,6a]C[6,6a]2)3{3|C<4>,6|C<3>}	120.2813	0.492	12	120.2941	0.411	18	120.2941	0.411	18	120.2941	0.411	18	120.2941	0.411	18	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6,6a]	C[6,6a]	N[3x6]	3:3:3:	3:4:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:N[3x6]-3:	C[6,6,6a]-3:C[6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:	C[6,6,6a](C[6,6a]C[6a]C[6])2(N[3x6]C[6,6,6a]2)	C[6,6a](C[6,6,6a]C[6,6a]N[3x6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	N[3x6](C[6,6,6a]C[6,6a]2)3	C[6,6,6a](C[6,6a]C[6a]C[6])2(N[3x6]C[6,6,6a]2){2|H<1>,4|C<4>,5|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]N[3x6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<4>,5|C<3>}	N[3x6](C[6,6,6a]C[6,6a]2)3{3|C<4>,6|C<3>}	120.3195	0.930	6	120.2941	0.411	18	120.2941	0.411	18	120.2941	0.411	18	120.2941	0.411	18	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:N[6,6]-3:C[6,6a]-3:	C[6,6,6a]-3:C[6,6a]-3:C[6a]-3:	N[6,6]-3:C[6,6a]-3:C[6,6,6a]-3:	C[6,6,6a](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]N[6,6])(C[6,6a]C[6a]C[6])	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6,6a]C[6,6,6a]C[6a])(C[6a]C[6a]H)	N[6,6](N[6,6]C[6,6,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6,6,6a]C[6,6a]2)	C[6,6,6a](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]N[6,6])(C[6,6a]C[6a]C[6]){2|C<4>,2|H<1>,6|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6,6a]C[6,6,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	N[6,6](N[6,6]C[6,6,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6,6,6a]C[6,6a]2){1|C<4>,1|H<1>,8|C<3>}	121.5765	0.073	2	121.5765	0.005	2	121.5765	0.005	2	121.5765	0.005	2	120.3101	1.974	16	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:3:3:	3:4:4:	C[6,6a,6a]-3:C[6,6a]-3:N[6,6]-3:	C[6,6,6a]-3:C[6a,6a]-3:N[6]-3:	C[6,6,6a]-3:C[6]-4:C[6]-4:	C[6,6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6,6a]C[6a,6a]N[6])(N[6,6]C[6]2)	C[6,6a](C[6,6,6a]C[6,6a,6a]N[6,6])(C[6a,6a]C[3x6a]C[6a])(N[6]C[6]C)	N[6,6](C[6,6,6a]C[6,6a,6a]C[6,6a])(C[6]C[6]HH)(C[6]O[6]HH)	C[6,6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6,6a]C[6a,6a]N[6])(N[6,6]C[6]2){1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[6,6a](C[6,6,6a]C[6,6a,6a]N[6,6])(C[6a,6a]C[3x6a]C[6a])(N[6]C[6]C){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	N[6,6](C[6,6,6a]C[6,6a,6a]C[6,6a])(C[6]C[6]HH)(C[6]O[6]HH){1|N<3>,2|H<1>,3|C<3>}	123.7240	0.000	1	123.7240	0.000	1	123.7240	0.000	1	122.3050	4.027	2	120.3101	1.974	16	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:3:3:	3:4:4:	C[6,6a]-3:C[6,6a]-3:N[6,6]-3:	C[6,6,6a]-3:C[6a]-3:C[6]-3:	C[6,6,6a]-3:C[6]-4:C[6]-4:	C[6,6,6a](C[6,6a]C[6a]C[6])2(N[6,6]C[6]2)	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(C[6]C[6]O)	N[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)2	C[6,6,6a](C[6,6a]C[6a]C[6])2(N[6,6]C[6]2){1|C<3>,2|C<4>,2|O<1>,6|H<1>}	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(C[6]C[6]O){2|C<3>,2|C<4>,3|H<1>}	N[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)2{4|C<3>,4|H<1>}	120.8860	0.000	1	120.8860	0.000	1	120.8860	0.000	1	122.3050	4.027	2	120.3101	1.974	16	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:3:4:	3:4:4:	C[6,6a]-3:C[6,6a]-3:N[6,6]-3:	C[6,6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6,6a]-3:C[6]-4:C[6]-4:	C[6,6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(N[6,6]C[6]2)	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6,6a]C[6,6a]O[6])(C[6]C[6]HH)	N[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)2	C[6,6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(N[6,6]C[6]2){1|C<3>,1|O<2>,2|C<4>,9|H<1>}	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6,6a]C[6,6a]O[6])(C[6]C[6]HH){2|C<3>,2|H<1>,4|C<4>}	N[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)2{2|C<3>,2|C<4>,4|H<1>}	119.1750	0.000	1	119.1750	0.000	1	119.1750	0.000	1	120.1306	0.323	10	120.3101	1.974	16	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:3:4:	3:4:4:	C[6,6a]-3:C[6,6a]-3:N[6,6]-3:	C[6,6,6a]-3:C[6a,6a]-3:C[6]-4:	C[6,6,6a]-3:C[6]-4:C[6]-4:	C[6,6,6a](C[6,6a]C[6a,6a]C[6])(C[6,6a]C[6a]C[6])(N[6,6]C[6]2)	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a,6a]C[6a,6a]O[6a])(C[6]C[6]HH)	N[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)2	C[6,6,6a](C[6,6a]C[6a,6a]C[6])(C[6,6a]C[6a]C[6])(N[6,6]C[6]2){1|C<3>,1|O<2>,2|C<4>,9|H<1>}	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a,6a]C[6a,6a]O[6a])(C[6]C[6]HH){2|H<1>,3|C<3>,3|C<4>}	N[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)2{2|C<3>,2|C<4>,4|H<1>}	119.5580	0.000	1	119.5580	0.000	1	119.5580	0.000	1	120.1306	0.323	10	120.3101	1.974	16	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:3:4:	3:4:4:	C[6,6a]-3:C[6,6a]-3:N[6,6]-3:	C[6,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6,6a]-3:C[6]-4:C[6]-4:	C[6,6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(N[6,6]C[6]2)	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6,6a]H)(C[6]C[6]HH)	N[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)2	C[6,6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(N[6,6]C[6]2){1|C<3>,1|O<2>,2|C<4>,9|H<1>}	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6,6a]H)(C[6]C[6]HH){1|C<3>,2|H<1>,4|C<4>}	N[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)2{2|C<3>,2|C<4>,4|H<1>}	120.7480	0.000	1	120.7480	0.000	1	120.3216	0.196	8	120.1306	0.323	10	120.3101	1.974	16	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:3:4:	3:4:4:	C[6,6a]-3:C[6,6a]-3:N[6,6]-3:	C[6,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6,6a]-3:C[6]-4:C[6]-4:	C[6,6,6a](C[6,6a]C[6a,6a]C[6])(C[6,6a]C[6a]C[6])(N[6,6]C[6]2)	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a,6a]H)(C[6]C[6]HH)	N[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)2	C[6,6,6a](C[6,6a]C[6a,6a]C[6])(C[6,6a]C[6a]C[6])(N[6,6]C[6]2){1|C<3>,1|O<2>,2|C<4>,9|H<1>}	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a,6a]H)(C[6]C[6]HH){2|C<3>,2|H<1>,3|C<4>}	N[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)2{2|C<3>,2|C<4>,4|H<1>}	120.2840	0.000	1	120.2840	0.000	1	120.3216	0.196	8	120.1306	0.323	10	120.3101	1.974	16	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:3:4:	3:4:4:	C[6,6a]-3:C[6,6a]-3:N[6,6]-3:	C[6,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6,6a]-3:C[6]-4:C[6]-4:	C[6,6,6a](C[6,6a]C[6a]C[6])2(N[6,6]C[6]2)	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(C[6]C[6]HH)	N[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)2	C[6,6,6a](C[6,6a]C[6a]C[6])2(N[6,6]C[6]2){10|H<1>,1|C<3>,2|C<4>}	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(C[6]C[6]HH){2|C<3>,2|H<1>,3|C<4>}	N[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)2{2|C<3>,2|C<4>,4|H<1>}	120.4235	0.358	4	120.2292	0.285	5	120.3216	0.196	8	120.1306	0.323	10	120.3101	1.974	16	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:3:4:	3:4:4:	C[6,6a]-3:C[6,6a]-3:N[6,6]-3:	C[6,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6,6a]-3:C[6]-4:C[6]-4:	C[6,6,6a](C[6,6a]C[6a]C[6])2(N[6,6]C[6]2)	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(C[6]C[6]HH)	N[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)2	C[6,6,6a](C[6,6a]C[6a]C[6])2(N[6,6]C[6]2){1|C<3>,1|O<2>,2|C<4>,9|H<1>}	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(C[6]C[6]HH){2|C<3>,2|H<1>,3|C<4>}	N[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)2{2|C<3>,2|C<4>,4|H<1>}	119.4520	0.000	1	120.2292	0.285	5	120.3216	0.196	8	120.1306	0.323	10	120.3101	1.974	16	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:3:4:	3:4:4:	C[6,6a]-3:C[6,6a]-3:N[6,6]-3:	C[6,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6,6a]-3:C[6]-4:C[6]-4:	C[6,6,6a](C[6,6a]C[6a]C[6])2(N[6,6]C[6]2)	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]O)(C[6]C[6]HH)	N[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)2	C[6,6,6a](C[6,6a]C[6a]C[6])2(N[6,6]C[6]2){1|C<3>,1|O<2>,2|C<4>,9|H<1>}	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]O)(C[6]C[6]HH){2|C<3>,2|H<1>,3|C<4>}	N[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)2{2|C<3>,2|C<4>,4|H<1>}	120.3950	0.000	1	120.3950	0.000	1	120.3216	0.196	8	120.1306	0.323	10	120.3101	1.974	16	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:4:3:	3:3:3:	C[6,6a]-3:N[6,6]-3:C[6,6a]-3:	C[6,6,6a]-3:C[6]-4:C[6a]-3:	N[6,6]-3:C[6,6a]-3:C[6,6,6a]-3:	C[6,6,6a](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]N[6,6])(C[6,6a]C[6a]C[6])	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	N[6,6](N[6,6]C[6,6,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6,6,6a]C[6,6a]2)	C[6,6,6a](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]N[6,6])(C[6,6a]C[6a]C[6]){2|C<4>,2|H<1>,6|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<4>,1|N<3>,4|C<3>}	N[6,6](N[6,6]C[6,6,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6,6,6a]C[6,6a]2){1|C<4>,1|H<1>,8|C<3>}	117.9460	0.058	2	117.9460	0.003	2	117.9460	0.003	2	117.9460	0.003	2	120.3101	1.974	16	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6,6,6a]-3:C[6a,6a]-3:N[6]-3:	C[6,6a,6a]-3:C[6,6a]-3:N[6,6]-3:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a](C[6,6,6a]C[6,6a,6a]N[6,6])(C[6a,6a]C[3x6a]C[6a])(N[6]C[6]C)	C[6,6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6,6a]C[6a,6a]N[6])(N[6,6]C[6]2)	N[6](C[6,6a]C[6,6,6a]C[6a,6a])(C[6]C[6]HH)(CH3)	C[6,6a](C[6,6,6a]C[6,6a,6a]N[6,6])(C[6a,6a]C[3x6a]C[6a])(N[6]C[6]C){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[6,6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6,6a]C[6a,6a]N[6])(N[6,6]C[6]2){1|O<2>,2|C<4>,4|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6,6a]C[6a,6a])(C[6]C[6]HH)(CH3){1|N<3>,2|H<1>,3|C<3>}	120.3880	0.000	1	120.3880	0.000	1	120.3880	0.000	1	120.3880	0.000	1	120.3880	0.000	1	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a,6a]	N[6,6]	3:3:3:	3:3:3:	3:4:4:	C[6,6a,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:C[3x6]-4:C[6]-4:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[6,6]C[3x6]C[6])(C[6a]C[6a]H)	C[6,6a,6a](C[6,6a]N[6,6]C[6a])2(C[6a,6a]C[6a]2)	N[6,6](C[6,6a]C[6,6a,6a]C[6a])(C[3x6]N[6,6]2H)(C[6]C[6]HH)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[6,6]C[3x6]C[6])(C[6a]C[6a]H){1|C<4>,2|N<3>,3|C<3>,4|H<1>}	C[6,6a,6a](C[6,6a]N[6,6]C[6a])2(C[6a,6a]C[6a]2){2|C<3>,3|C<4>,4|H<1>}	N[6,6](C[6,6a]C[6,6a,6a]C[6a])(C[3x6]N[6,6]2H)(C[6]C[6]HH){3|C<3>,3|C<4>,3|H<1>}	117.2887	0.425	3	117.2887	0.180	3	117.2887	0.180	3	117.2887	0.180	3	117.2887	0.180	3	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a,6a]	N[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[6]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a,6a](C[6,6a]C[6a]N[6])2(C[6a,6a]C[6a]2)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]N[6])(C[6a]C[6a]2)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[6]C[6a]C[6])(C[6a]C[6a]H){1|H<1>,1|N<3>,6|C<3>}	C[6,6a,6a](C[6,6a]C[6a]N[6])2(C[6a,6a]C[6a]2){4|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]N[6])(C[6a]C[6a]2){2|N<3>,3|H<1>,6|C<3>}	117.0280	0.000	1	117.0280	0.000	1	117.0280	0.000	1	117.0280	0.000	1	117.7389	0.744	39	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a,6a]	N[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:C[5,6]-4:H-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[5,6]H)	C[6,6a,6a](C[6,6a]N[5,6]C[6a])(C[6,6a]C[6a]N[6])(C[6a,6a]C[6a]2)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5,6a]N[5,6]H)(H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[5,6]H){1|N<3>,2|H<1>,4|C<3>}	C[6,6a,6a](C[6,6a]N[5,6]C[6a])(C[6,6a]C[6a]N[6])(C[6a,6a]C[6a]2){1|C<4>,3|C<3>,5|H<1>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5,6a]N[5,6]H)(H){1|H<1>,6|C<3>}	118.0560	0.000	1	118.0560	0.000	1	118.0560	0.000	1	117.5731	0.382	18	117.7389	0.744	39	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a,6a]	N[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6,6]H)	C[6,6a,6a](C[6,6a]C[6a]N[6])2(C[6a,6a]C[6a]2)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6]C[6]2N[6])(H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6,6]H){1|H<1>,1|N<3>,5|C<3>}	C[6,6a,6a](C[6,6a]C[6a]N[6])2(C[6a,6a]C[6a]2){1|C<4>,2|C<3>,6|H<1>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6]C[6]2N[6])(H){1|N<2>,3|H<1>,5|C<3>}	118.2540	0.774	2	118.0340	0.444	3	118.0340	0.444	3	117.5731	0.382	18	117.7389	0.744	39	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a,6a]	N[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6,6]H)	C[6,6a,6a](C[6,6a]C[6a]N[6])2(C[6a,6a]C[6a]2)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6]C[6]2N[6])(H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6,6]H){1|H<1>,1|N<3>,5|C<3>}	C[6,6a,6a](C[6,6a]C[6a]N[6])2(C[6a,6a]C[6a]2){1|C<4>,2|C<3>,6|H<1>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6]C[6]2N[6])(H){1|O<1>,3|H<1>,5|C<3>}	117.5940	0.000	1	118.0340	0.444	3	118.0340	0.444	3	117.5731	0.382	18	117.7389	0.744	39	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a,6a]	N[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a,6a](C[6,6a]C[6a]N[6])2(C[6a,6a]C[6a]2)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6a]N[6]H)(H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,2|H<1>,4|C<3>}	C[6,6a,6a](C[6,6a]C[6a]N[6])2(C[6a,6a]C[6a]2){1|C<4>,2|C<3>,6|H<1>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6a]N[6]H)(H){2|H<1>,5|C<3>}	117.4006	0.589	9	117.4006	0.347	9	117.4398	0.345	14	117.5731	0.382	18	117.7389	0.744	39	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a,6a]	N[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a,6a](C[6,6a]C[6a]N[6])2(C[6a,6a]C[6a]2)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]CC)(H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]H){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	C[6,6a,6a](C[6,6a]C[6a]N[6])2(C[6a,6a]C[6a]2){1|C<4>,2|C<3>,6|H<1>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]CC)(H){2|H<1>,3|C<3>}	117.4970	0.466	3	117.4970	0.217	3	117.4398	0.345	14	117.5731	0.382	18	117.7389	0.744	39	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a,6a]	N[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a,6a](C[6,6a]C[6a]N[6])2(C[6a,6a]C[6a]2)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]CH)(H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,2|H<1>,4|C<3>}	C[6,6a,6a](C[6,6a]C[6a]N[6])2(C[6a,6a]C[6a]2){1|C<4>,2|C<3>,6|H<1>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]CH)(H){2|H<1>,3|C<3>}	117.5305	1.112	2	117.5305	1.237	2	117.4398	0.345	14	117.5731	0.382	18	117.7389	0.744	39	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:C[5,6]-4:C-4:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[5,6]C)	C[6,6a,6a](C[6,6a]C[6a]N[6])2(C[6a,6a]C[6a]2)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5,6a]C[5]N[6])(CH3)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[5,6]C){1|H<1>,1|N<3>,5|C<3>}	C[6,6a,6a](C[6,6a]C[6a]N[6])2(C[6a,6a]C[6a]2){2|C<3>,3|C<4>,4|H<1>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5,6a]C[5]N[6])(CH3){1|C<4>,1|H<1>,1|O<1>,6|C<3>}	118.0990	0.764	2	118.0990	0.583	2	118.1435	0.125	10	117.9236	1.057	20	117.7389	0.744	39	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:C[5,6]-4:C-4:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[5,6]C)	C[6,6a,6a](C[6,6a]C[6a]N[6])2(C[6a,6a]C[6a]2)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5]2N[6])(CH3)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[5,6]C){1|H<1>,1|N<3>,5|C<3>}	C[6,6a,6a](C[6,6a]C[6a]N[6])2(C[6a,6a]C[6a]2){2|C<3>,3|C<4>,4|H<1>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5]2N[6])(CH3){1|C<4>,1|H<1>,2|O<1>,5|C<3>}	118.1546	0.276	8	118.1546	0.076	8	118.1435	0.125	10	117.9236	1.057	20	117.7389	0.744	39	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a,6a](C[6,6a]C[6a]N[6])2(C[6a,6a]C[6a]2)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6a]N[6]H)(CN[5a]HH)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C){1|N<3>,2|H<1>,4|C<3>}	C[6,6a,6a](C[6,6a]C[6a]N[6])2(C[6a,6a]C[6a]2){2|C<3>,3|C<4>,4|H<1>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6a]N[6]H)(CN[5a]HH){1|C<4>,1|H<1>,5|C<3>}	119.1420	0.000	1	119.1420	0.000	1	117.5141	1.843	9	117.9236	1.057	20	117.7389	0.744	39	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a,6a](C[6,6a]C[6a]N[6])2(C[6a,6a]C[6a]2)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]CC)(CH3)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	C[6,6a,6a](C[6,6a]C[6a]N[6])2(C[6a,6a]C[6a]2){2|C<3>,3|C<4>,4|H<1>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]CC)(CH3){1|C<4>,1|H<1>,3|C<3>}	118.3380	0.920	3	118.3380	0.846	3	117.5141	1.843	9	117.9236	1.057	20	117.7389	0.744	39	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a,6a](C[6,6a]C[6a]N[6])2(C[6a,6a]C[6a]2)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]HH)(CHHP)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C){1|N<3>,3|C<3>,3|H<1>}	C[6,6a,6a](C[6,6a]C[6a]N[6])2(C[6a,6a]C[6a]2){2|C<3>,3|C<4>,4|H<1>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]HH)(CHHP){1|C<4>,1|H<1>,3|C<3>}	115.6250	0.769	2	116.1547	1.138	3	117.5141	1.843	9	117.9236	1.057	20	117.7389	0.744	39	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a,6a](C[6,6a]C[6a]N[6])2(C[6a,6a]C[6a]2)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]HH)(CHHP)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C){1|N<4>,3|C<3>,3|H<1>}	C[6,6a,6a](C[6,6a]C[6a]N[6])2(C[6a,6a]C[6a]2){1|Ru<6>,2|C<3>,3|C<4>,4|H<1>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]HH)(CHHP){1|Ru<6>,1|C<4>,1|H<1>,3|C<3>}	117.2140	0.000	1	116.1547	1.138	3	117.5141	1.843	9	117.9236	1.057	20	117.7389	0.744	39	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a,6a](C[6,6a]C[6a]N[6])2(C[6a,6a]C[6a]2)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]IrH)(CHHP)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C){1|Ir<6>,1|N<3>,2|H<1>,3|C<3>}	C[6,6a,6a](C[6,6a]C[6a]N[6])2(C[6a,6a]C[6a]2){2|C<3>,3|C<4>,4|H<1>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]IrH)(CHHP){1|C<4>,1|H<1>,3|C<3>}	117.5035	0.742	2	117.5035	0.550	2	117.5141	1.843	9	117.9236	1.057	20	117.7389	0.744	39	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	C[6a,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[5,6a]H)(N[6]C[6]C)	C[6,6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]N[6])	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]HH)(CH3)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[5,6a]H)(N[6]C[6]C){2|C<4>,2|H<1>,3|C<3>}	C[6,6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]N[6]){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]HH)(CH3){3|C<3>,3|H<1>}	119.4110	0.000	1	119.4110	0.000	1	119.4110	0.000	1	117.9236	1.057	20	117.7389	0.744	39	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[3x6]	3:3:3:	3:4:3:	4:3:4:	N[3x6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[3x6]-4:C[6,6a]-3:C[6,6]-4:	C[6,6a](N[3x6]C[3x6]C[6,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[3x6]C[6a])(C[6]N[6,6]HN)(C[6a]C[6a]H)	N[3x6](C[3x6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)	C[6,6a](N[3x6]C[3x6]C[6,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){3|C<3>,3|N<3>,5|H<1>}	C[6,6a](C[6,6a]N[3x6]C[6a])(C[6]N[6,6]HN)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	N[3x6](C[3x6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H){1|C<4>,2|H<1>,6|C<3>}	122.2335	0.339	2	122.2335	0.115	2	122.2335	0.115	2	122.2335	0.115	2	122.2335	0.115	2	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6,6]	3:3:2:	3:3:4:	3:4:4:	C[6,6a]-3:N[6,6]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(N[6a]C[6a,6a])	C[6,6a](C[6,6a]N[6,6]N[6a])(C[6a]C[6a,6a]C)(C[6]C[6,6]HH)	N[6,6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(N[6a]C[6a,6a]){2|C<4>,3|C<3>,6|H<1>}	C[6,6a](C[6,6a]N[6,6]N[6a])(C[6a]C[6a,6a]C)(C[6]C[6,6]HH){2|C<3>,4|C<4>}	N[6,6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HH){2|C<3>,2|H<1>,3|C<4>}	119.8770	0.000	1	119.8770	0.000	1	119.8770	0.000	1	119.8770	0.000	1	120.9669	2.613	98	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:3:2:	3:4:3:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6a](C[6,6a]C[6a]S[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(S[6]C[6,6])	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6a]H)(C[6]C[6,6]O)	C[6,6a](C[6,6a]C[6a]S[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(S[6]C[6,6]){1|C<4>,3|C<3>,3|H<1>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6a]H)(C[6]C[6,6]O){1|S<2>,2|H<1>,6|C<3>}	119.5070	0.000	1	119.5070	0.000	1	119.5070	0.000	1	119.5070	0.000	1	120.9669	2.613	98	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6,6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6,6]C[6]2H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){4|H<1>,5|C<3>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6,6]C[6]2H){1|N<3>,3|H<1>,6|C<3>}	117.8550	0.000	1	117.8550	0.000	1	117.8550	0.000	1	117.8550	0.000	1	120.9669	2.613	98	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:3:3:	3:4:3:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]C)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]O)(C[6]C[6,6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]C){1|N<3>,1|O<2>,2|H<1>,2|O<1>,3|C<3>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O){1|H<1>,2|C<3>,3|C<4>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]O)(C[6]C[6,6a]O){2|C<4>,6|C<3>}	115.3880	0.000	1	115.3880	0.000	1	117.2987	1.864	4	117.2987	1.864	4	120.9669	2.613	98	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:3:3:	3:4:3:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6a]C[6])	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|O<2>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6a]C[6]){1|Br<1>,1|C<4>,2|H<1>,5|C<3>}	118.4430	0.000	1	118.4430	0.000	1	117.2987	1.864	4	117.2987	1.864	4	120.9669	2.613	98	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:3:3:	3:4:3:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6a]C[6])	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6a]C[6]){1|H<1>,1|I<1>,1|N<3>,7|C<3>}	118.0930	0.000	1	118.0930	0.000	1	117.2987	1.864	4	117.2987	1.864	4	120.9669	2.613	98	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:3:3:	3:4:3:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]N[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,2|C<3>,3|H<1>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]N[6]C){2|H<1>,5|C<3>}	117.2710	0.000	1	117.2710	0.000	1	117.2987	1.864	4	117.2987	1.864	4	120.9669	2.613	98	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:3:3:	3:4:4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,5|H<1>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]HH){1|N<3>,3|H<1>,5|C<3>}	120.5330	0.000	1	120.5330	0.000	1	119.0103	1.874	3	119.7518	3.448	4	120.9669	2.613	98	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:3:3:	3:4:4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]O)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]O){1|C<3>,2|C<4>,2|H<1>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(C[6]C[6]HH){1|N<3>,1|O<2>,3|C<3>,4|H<1>}	118.2490	0.520	2	118.2490	0.271	2	119.0103	1.874	3	119.7518	3.448	4	120.9669	2.613	98	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:3:3:	3:4:4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a](C[6,6a]C[6a]N[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]N[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|F<1>,2|C<3>,2|C<4>,5|H<1>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|F<1>,2|C<3>,2|C<4>,2|H<1>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH){2|N<3>,4|C<3>,4|H<1>}	121.9760	0.000	1	121.9760	0.000	1	121.9760	0.000	1	119.7518	3.448	4	120.9669	2.613	98	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:3:3:	4:3:3:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]N[5a,6]C[6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)	N[6,6](C[6,6]C[5a,6]C[6,6a]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])	C[6,6a](C[6,6a]N[5a,6]C[6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){3|H<1>,6|C<3>}	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	N[6,6](C[6,6]C[5a,6]C[6,6a]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]){1|N<3>,2|H<1>,7|C<3>}	119.1630	0.000	1	119.1630	0.000	1	119.1630	0.000	1	119.1630	0.000	1	120.9669	2.613	98	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:3:3:	4:3:4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]N[5a,6]C[6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6,6a](N[5a,6]C[5a,6]N[5a])(C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)	N[6,6](C[6,6]C[5a,6]C[6,6a]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6,6a](C[6,6a]N[5a,6]C[6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|N<2>,2|C<4>,3|C<3>,4|H<1>}	C[6,6a](N[5a,6]C[5a,6]N[5a])(C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H){1|H<1>,3|C<3>,3|C<4>}	N[6,6](C[6,6]C[5a,6]C[6,6a]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|N<3>,3|H<1>,5|C<3>}	119.4430	0.000	1	119.4430	0.000	1	119.4430	0.000	1	119.4430	0.000	1	120.9669	2.613	98	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:3:4:	3:4:4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[5,6a]H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]N[6,6]HH)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[5,6a]H){1|C<4>,1|N<3>,2|C<3>,7|H<1>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]N[6,6]HH){1|H<1>,2|C<4>,3|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|H<1>,4|C<3>}	121.4950	0.321	2	121.4950	0.103	2	121.4480	0.375	6	121.5724	0.294	11	120.9669	2.613	98	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:3:4:	3:4:4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a,6a]H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a,6a]H)(C[6]N[6,6]HH)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a,6a]H){1|N<3>,3|C<3>,7|H<1>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a,6a]H)(C[6]N[6,6]HH){1|H<1>,2|C<4>,3|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|H<1>,4|C<3>}	122.0610	0.311	2	122.0610	0.097	2	121.4480	0.375	6	121.5724	0.294	11	120.9669	2.613	98	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:3:4:	3:4:4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|Br<1>,1|C<3>,3|C<4>,6|H<1>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<2>,2|C<3>,2|C<4>,2|H<1>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH){1|C<2>,1|C<4>,1|O<2>,3|C<3>,5|H<1>}	120.9450	0.000	1	120.9450	0.000	1	121.4480	0.375	6	121.5724	0.294	11	120.9669	2.613	98	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:3:4:	3:4:4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]HH)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,7|H<1>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]HH){2|C<3>,2|C<4>,2|H<1>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]HH){1|C<4>,3|H<1>,5|C<3>}	120.6310	0.000	1	120.6310	0.000	1	121.4480	0.375	6	121.5724	0.294	11	120.9669	2.613	98	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:3:4:	3:4:4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a](C[6,6a]C[6a,6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]C[6a,6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|N<3>,3|C<3>,7|H<1>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH){2|C<4>,2|H<1>,4|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|H<1>,4|C<3>}	121.9970	0.000	1	121.9970	0.000	1	121.9970	0.000	1	121.5724	0.294	11	120.9669	2.613	98	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:3:4:	3:4:4:	C[6a,6a]-3:C[6,6a]-3:N[6,6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])	C[6,6a](C[6,6a]C[6a,6a]N[6,6])(C[6a]C[6,6a]H)(C[6]N[6,6]HH)	N[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	C[6,6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6]){1|N<3>,4|C<3>,8|H<1>}	C[6,6a](C[6,6a]C[6a,6a]N[6,6])(C[6a]C[6,6a]H)(C[6]N[6,6]HH){2|C<4>,4|C<3>}	N[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,5|C<3>}	121.6527	0.505	4	121.6527	0.255	4	121.6527	0.255	4	121.5724	0.294	11	120.9669	2.613	98	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:3:4:	4:3:3:	N[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[3x6]-4:C[6,6a]-3:C[6,6]-3:	C[6,6a](N[6,6]C[3x6]C[6,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH)	N[6,6](C[3x6]C[6,6]C[6]O[6])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])	C[6,6a](N[6,6]C[3x6]C[6,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<4>,2|C<3>,2|H<1>}	N[6,6](C[3x6]C[6,6]C[6]O[6])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]){2|C<3>,6|C<4>,6|H<1>}	116.6465	0.415	2	116.6465	0.172	2	116.6465	0.172	2	116.6465	0.172	2	120.9669	2.613	98	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:4:3:	3:3:3:	N[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	N[6,6]-3:C[6,6a]-3:C[6,6,6a]-3:	C[6,6a](N[6,6]C[6,6,6a]N[6,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	N[6,6](N[6,6]C[6,6,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6,6,6a]C[6,6a]2)	C[6,6a](N[6,6]C[6,6,6a]N[6,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	N[6,6](N[6,6]C[6,6,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6,6,6a]C[6,6a]2){1|C<4>,1|H<1>,8|C<3>}	116.4665	0.063	2	116.4665	0.004	2	116.4665	0.004	2	116.4665	0.004	2	120.9669	2.613	98	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:4:3:	3:4:4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]Br)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]Br){1|N<3>,2|C<3>,8|H<1>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H){1|Br<1>,2|C<4>,3|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|Br<1>,1|C<4>,4|C<3>}	121.6280	0.000	1	121.1117	0.200	3	121.5773	0.221	64	121.6441	0.316	67	120.9669	2.613	98	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:4:3:	3:4:4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]Br)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]Br){1|N<3>,2|C<3>,8|H<1>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H){2|Br<1>,2|C<3>,2|C<4>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|Br<1>,1|C<4>,4|C<3>}	120.8535	0.016	2	121.1117	0.200	3	121.5773	0.221	64	121.6441	0.316	67	120.9669	2.613	98	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:4:3:	3:4:4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]C)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HN)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]C){2|C<3>,2|N<3>,7|H<1>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H){2|C<3>,4|C<4>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HN){2|C<4>,4|C<3>}	120.6530	0.000	1	120.6530	0.000	1	121.5773	0.221	64	121.6441	0.316	67	120.9669	2.613	98	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:4:3:	3:4:4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]C)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]N)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]C){2|C<3>,3|N<3>,6|H<1>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]N){1|O<2>,2|C<3>,3|C<4>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){2|C<4>,4|C<3>}	120.8425	0.298	2	120.8425	0.089	2	121.5773	0.221	64	121.6441	0.316	67	120.9669	2.613	98	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:4:3:	3:4:4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]C)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HN)(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]C){2|C<3>,2|N<3>,7|H<1>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HN)(C[6a]C[6a]H){2|C<3>,4|C<4>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){2|C<4>,4|C<3>}	121.3510	0.000	1	121.3510	0.000	1	121.5773	0.221	64	121.6441	0.316	67	120.9669	2.613	98	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:4:3:	3:4:4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]F)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]F)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]F){1|N<3>,2|C<3>,2|F<1>,6|H<1>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]F){2|C<3>,2|C<4>,2|F<1>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|F<1>,4|C<3>}	122.0740	0.000	1	122.0740	0.000	1	121.5773	0.221	64	121.6441	0.316	67	120.9669	2.613	98	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:4:3:	3:4:4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,7|H<1>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH){1|O<2>,3|C<4>,3|H<1>,4|C<3>}	120.7470	0.000	1	121.1630	0.346	2	121.5773	0.221	64	121.6441	0.316	67	120.9669	2.613	98	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:4:3:	3:4:4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,7|H<1>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH){2|C<4>,4|C<3>,5|H<1>}	121.5790	0.000	1	121.1630	0.346	2	121.5773	0.221	64	121.6441	0.316	67	120.9669	2.613	98	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:4:3:	3:4:4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,7|H<1>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HH){2|C<3>,2|C<4>,4|H<1>}	121.7290	0.000	1	121.7290	0.000	1	121.5773	0.221	64	121.6441	0.316	67	120.9669	2.613	98	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:4:3:	3:4:4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6a]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6a]C[6]H){2|C<4>,4|C<3>,4|H<1>}	121.7447	0.081	3	121.7447	0.007	3	121.5773	0.221	64	121.6441	0.316	67	120.9669	2.613	98	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:4:3:	3:4:4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]CH)(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]CH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,6|H<1>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]CH)(C[6a]C[6a]H){1|H<1>,2|C<3>,3|C<4>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]CH){1|C<4>,1|H<1>,4|C<3>}	122.3040	0.200	3	122.3040	0.040	3	121.5773	0.221	64	121.6441	0.316	67	120.9669	2.613	98	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:4:3:	3:4:4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]CH)(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,7|H<1>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H){1|H<1>,2|C<3>,3|C<4>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]CH)(C[6]C[6,6a]HH){1|C<4>,1|H<1>,4|C<3>}	122.0055	0.281	2	122.0055	0.079	2	121.5773	0.221	64	121.6441	0.316	67	120.9669	2.613	98	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:4:3:	3:4:4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|Br<1>,1|N<3>,2|C<3>,7|H<1>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H){1|H<1>,2|C<3>,3|C<4>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|H<1>,4|C<3>}	122.0720	0.000	1	121.6168	0.193	39	121.5773	0.221	64	121.6441	0.316	67	120.9669	2.613	98	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:4:3:	3:4:4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,8|H<1>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H){1|Br<1>,1|H<1>,2|C<3>,2|C<4>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|H<1>,4|C<3>}	121.4005	1.228	2	121.6168	0.193	39	121.5773	0.221	64	121.6441	0.316	67	120.9669	2.613	98	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:4:3:	3:4:4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,8|H<1>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,2|C<3>,2|C<4>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|H<1>,4|C<3>}	121.4795	0.280	4	121.6168	0.193	39	121.5773	0.221	64	121.6441	0.316	67	120.9669	2.613	98	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:4:3:	3:4:4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,8|H<1>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H){1|H<1>,1|I<1>,2|C<3>,2|C<4>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|H<1>,4|C<3>}	121.4426	0.511	8	121.6168	0.193	39	121.5773	0.221	64	121.6441	0.316	67	120.9669	2.613	98	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:4:3:	3:4:4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,8|H<1>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H){1|H<1>,2|C<3>,3|C<4>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|H<1>,4|C<3>}	121.8201	0.259	15	121.6168	0.193	39	121.5773	0.221	64	121.6441	0.316	67	120.9669	2.613	98	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:4:3:	3:4:4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,8|H<1>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H){1|H<1>,2|C<4>,3|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|H<1>,4|C<3>}	121.5697	0.412	6	121.6168	0.193	39	121.5773	0.221	64	121.6441	0.316	67	120.9669	2.613	98	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:4:3:	3:4:4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,8|H<1>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|H<1>,4|C<3>}	121.8540	0.000	1	121.6168	0.193	39	121.5773	0.221	64	121.6441	0.316	67	120.9669	2.613	98	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:4:3:	3:4:4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|N<4>,2|C<3>,8|H<1>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H){2|C<3>,2|H<1>,3|C<4>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,2|H<1>,4|C<3>}	121.0755	0.301	2	121.6168	0.193	39	121.5773	0.221	64	121.6441	0.316	67	120.9669	2.613	98	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:4:3:	3:4:4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]N[5a])	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]N[5a]){1|N<3>,4|C<3>,8|H<1>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|N<3>,4|C<3>}	121.3460	0.028	4	121.3460	0.001	4	121.5773	0.221	64	121.6441	0.316	67	120.9669	2.613	98	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:4:3:	3:4:4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]S)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]S){1|N<3>,2|C<3>,8|H<1>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H){1|S<2>,2|C<3>,3|C<4>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|S<2>,4|C<3>}	121.5970	0.107	2	121.5970	0.012	2	121.5773	0.221	64	121.6441	0.316	67	120.9669	2.613	98	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:4:3:	3:4:4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:Si[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a](C[6,6a]C[6a]Si[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6,6]C[6a])(Si[6]C[6,6]C[6a]C)(C[6a]C[6a]F)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]Si[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|F<1>,2|C<3>,3|C<4>,5|H<1>}	C[6,6a](C[6,6a]N[6,6]C[6a])(Si[6]C[6,6]C[6a]C)(C[6a]C[6a]F){2|H<1>,3|C<3>,4|C<4>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HH){1|Si<4>,1|C<4>,2|C<3>,4|H<1>}	122.9450	0.000	1	122.9450	0.000	1	123.0690	0.263	3	121.6441	0.316	67	120.9669	2.613	98	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:4:3:	3:4:4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:Si[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a](C[6,6a]C[6a]Si[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6,6]C[6a])(Si[6]C[6,6]C[6a]C)(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]Si[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){2|C<3>,3|C<4>,6|H<1>}	C[6,6a](C[6,6a]N[6,6]C[6a])(Si[6]C[6,6]C[6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>,4|C<4>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HH){1|Si<4>,1|C<4>,2|C<3>,4|H<1>}	123.6320	0.000	1	123.1310	0.502	2	123.0690	0.263	3	121.6441	0.316	67	120.9669	2.613	98	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:4:3:	3:4:4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:Si[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a](C[6,6a]C[6a]Si[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6,6]C[6a])(Si[6]C[6,6]C[6a]C)(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]Si[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){2|C<3>,3|C<4>,6|H<1>}	C[6,6a](C[6,6a]N[6,6]C[6a])(Si[6]C[6,6]C[6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>,4|C<4>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HH){1|Si<4>,2|C<3>,2|C<4>,3|H<1>}	122.6300	0.000	1	123.1310	0.502	2	123.0690	0.263	3	121.6441	0.316	67	120.9669	2.613	98	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:4:3:	4:3:4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6]-4:C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]H)	N[6,6](C[6,6]C[6,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,6|H<1>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]H){1|F<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	N[6,6](C[6,6]C[6,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|C<4>,4|H<1>,5|C<3>}	117.8050	0.000	1	117.6500	0.048	2	117.6500	0.048	2	119.0123	5.592	3	120.9669	2.613	98	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:4:3:	4:3:4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6]-4:C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]H)	N[6,6](C[6,6]C[6,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,6|H<1>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	N[6,6](C[6,6]C[6,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|C<4>,4|H<1>,5|C<3>}	117.4950	0.000	1	117.6500	0.048	2	117.6500	0.048	2	119.0123	5.592	3	120.9669	2.613	98	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6,6]	3:3:3:	3:4:3:	4:3:4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[3x6]-4:C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6,6]C[6a])(N[6,6]C[3x6]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6,6]N[3x6]N[6]H)(C[6a]C[6a]H)	N[6,6](C[3x6]C[6,6a]N[3x6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HN)	C[6,6a](C[6,6a]C[6,6]C[6a])(N[6,6]C[3x6]C[6])(C[6a]C[6a]H){3|C<3>,3|N<3>,5|H<1>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6,6]N[3x6]N[6]H)(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	N[6,6](C[3x6]C[6,6a]N[3x6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HN){1|C<4>,1|H<1>,6|C<3>}	121.7370	0.000	1	121.7370	0.000	1	121.7370	0.000	1	119.0123	5.592	3	120.9669	2.613	98	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:2:3:	3:3:3:	3:4:1:	C[6,6a]-3:N[6a]-2:N[6]-3:	C[6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6,6a])(N[6]C[6,6]H)	C[6,6a](C[6a]C[6,6a]C[6a])(C[6,6a]N[6a]N[6])(C[6]N[6]O)	N[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6]2N[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6,6a])(N[6]C[6,6]H){1|N<3>,1|O<1>,2|C<3>,3|C<4>}	C[6,6a](C[6a]C[6,6a]C[6a])(C[6,6a]N[6a]N[6])(C[6]N[6]O){2|C<4>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6]2N[6])(H){2|C<4>,3|C<3>,5|H<1>}	120.8710	0.000	1	120.8710	0.000	1	120.8710	0.000	1	120.8710	0.000	1	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:2:3:	3:3:3:	3:4:4:	C[6,6a]-3:N[6a]-2:N[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:S[6]-4:C-4:	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6a]C[6a])(N[6]S[6]C)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]N[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]N[6a])(S[6]C[6,6a]OO)(CH3)	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6a]C[6a])(N[6]S[6]C){1|N<2>,2|C<3>,2|H<1>,2|O<1>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]N[6a]N[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|S<4>,3|C<3>}	N[6](C[6,6a]C[6,6a]N[6a])(S[6]C[6,6a]OO)(CH3){4|C<3>}	120.0200	0.000	1	120.0200	0.000	1	120.0200	0.000	1	120.0200	0.000	1	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:4:1:	C[6,6a]-3:N[6]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[5,6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[5,6]H)(N[6a]C[6a])	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	N[6](C[6,6a]C[6,6a]N[6a])(C[5,6]C[5]2N[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[5,6]H)(N[6a]C[6a]){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|C<4>,3|H<1>}	N[6](C[6,6a]C[6,6a]N[6a])(C[5,6]C[5]2N[6])(H){2|C<4>,3|C<3>,5|H<1>}	119.0550	0.000	2	119.0550	0.000	2	119.0550	0.000	2	119.0550	0.000	2	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:2:3:	3:3:1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:Se[6]-2:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]Se[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(Se[6]C[6,6a])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]Se[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(Se[6]C[6,6a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])2(H){1|Se<2>,2|H<1>,4|C<3>}	122.2115	0.110	2	122.2115	0.012	2	122.2115	0.012	2	122.2115	0.012	2	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:2:3:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6a]-2:N[6]-3:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]N[6])(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(N[6a]N[6a])(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]N[6])(N[6]C[6]C){1|N<3>,1|O<1>,2|H<1>,4|C<4>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6a]N[6a])(N[6]C[6]C){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3){1|C<3>,1|N<2>,2|H<1>,2|N<3>}	118.7590	0.000	1	118.7590	0.000	1	118.7590	0.000	1	118.7590	0.000	1	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:2:3:	4:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:O[6]-2:C[6a]-3:	C[5,6,6]-4:C[6,6a]-3:S-4:	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[5,6,6]S)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(O[6]C[5,6,6])(C[6a]C[6a]H)	N[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6,6a]C[6a])(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[5,6,6]S)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(O[6]C[5,6,6])(C[6a]C[6a]H){1|C<3>,1|S<4>,2|C<4>,3|H<1>}	N[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6,6a]C[6a])(SC[6a]OO){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	120.0610	0.000	1	120.0610	0.000	1	120.0610	0.000	1	120.0610	0.000	1	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]N[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]N[6])(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]N[6]){2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]N[6])(H){1|H<1>,2|S<2>,3|C<3>}	119.1150	0.000	1	119.1150	0.000	1	119.3268	0.297	4	120.5311	0.816	16	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]N[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]N[6]){2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(H){1|H<1>,1|N<2>,1|S<2>,3|C<3>}	119.5720	0.000	1	119.3973	0.416	3	119.3268	0.297	4	120.5311	0.816	16	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]N[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]N[6]){2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(H){1|H<1>,1|S<2>,4|C<3>}	119.3100	0.887	2	119.3973	0.416	3	119.3268	0.297	4	120.5311	0.816	16	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]H)(C[6a]C[6a]F)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]F)(S[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]H)(C[6a]C[6a]F){2|F<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]F)(S[6]C[6,6a]){1|H<1>,2|F<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(H){1|S<2>,2|F<1>,4|C<3>}	121.2200	0.068	2	121.2200	0.005	2	120.9325	0.329	12	120.5311	0.816	16	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){3|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])2(H){1|S<2>,2|H<1>,4|C<3>}	120.9305	0.757	2	120.8750	0.379	10	120.9325	0.329	12	120.5311	0.816	16	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){3|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])2(H){1|S<2>,2|H<1>,4|C<3>}	120.8611	0.636	8	120.8750	0.379	10	120.9325	0.329	12	120.5311	0.816	16	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]C){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|C<4>,1|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|C<4>,1|O<2>,3|H<1>,6|C<3>}	117.5170	0.000	1	117.5170	0.000	1	118.5358	0.840	13	119.5128	1.465	50	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a,6a]N[6a])	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6a]){2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a,6a]N[6a]){1|O<2>,2|H<1>,7|C<3>}	118.6400	0.464	2	118.6400	0.215	2	118.5358	0.840	13	119.5128	1.465	50	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6a]){2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|C<4>,1|O<2>,3|H<1>,6|C<3>}	117.3960	0.000	1	118.6168	0.971	10	118.5358	0.840	13	119.5128	1.465	50	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6a]){2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|O<2>,4|H<1>,6|C<3>}	118.7524	0.941	9	118.6168	0.971	10	118.5358	0.840	13	119.5128	1.465	50	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6a]C[6])(C[6a]C[6a]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6a]C[6])(C[6a]C[6a]C){1|C<4>,1|F<1>,1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6]){3|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]O){1|Cl<1>,1|N<2>,1|O<2>,3|H<1>,4|C<3>}	117.6580	0.000	1	117.6580	0.000	1	117.6580	0.000	1	119.5128	1.465	50	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]C){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|C<4>,1|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|C<4>,1|S<2>,3|H<1>,6|C<3>}	118.1740	0.503	2	118.1740	0.253	2	119.9171	1.143	36	119.5128	1.465	50	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|S<2>,4|H<1>,6|C<3>}	121.2200	0.000	1	120.0196	1.009	34	119.9171	1.143	36	119.5128	1.465	50	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|H<1>,1|N<3>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|S<2>,4|H<1>,6|C<3>}	120.4855	0.674	2	120.0196	1.009	34	119.9171	1.143	36	119.5128	1.465	50	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|C<4>,1|S<2>,3|H<1>,6|C<3>}	120.2495	1.223	6	120.0196	1.009	34	119.9171	1.143	36	119.5128	1.465	50	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|O<2>,1|S<2>,3|H<1>,6|C<3>}	120.3795	0.086	2	120.0196	1.009	34	119.9171	1.143	36	119.5128	1.465	50	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|S<2>,4|H<1>,6|C<3>}	119.8357	1.003	23	120.0196	1.009	34	119.9171	1.143	36	119.5128	1.465	50	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])2(CC3)	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|C<4>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(CC3){1|O<2>,2|H<1>,4|C<3>}	120.6875	0.241	2	120.6875	0.058	2	120.6875	0.058	2	119.8458	1.174	32	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]F)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]F)(S[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]F){2|F<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]F)(S[6]C[6,6a]){1|C<4>,2|F<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){1|S<2>,2|F<1>,4|C<3>}	122.3790	0.225	2	122.3790	0.051	2	119.6190	0.832	28	119.8458	1.174	32	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|C<4>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){1|S<2>,2|H<1>,4|C<3>}	118.5610	0.000	1	119.2917	0.356	12	119.6190	0.832	28	119.8458	1.174	32	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|C<4>,1|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){1|S<2>,2|H<1>,4|C<3>}	120.2330	0.000	1	119.2917	0.356	12	119.6190	0.832	28	119.8458	1.174	32	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|C<4>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){1|S<2>,2|H<1>,4|C<3>}	119.1296	0.491	8	119.2917	0.356	12	119.6190	0.832	28	119.8458	1.174	32	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|H<1>,2|C<4>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){1|S<2>,2|H<1>,4|C<3>}	119.8350	0.059	2	119.2917	0.356	12	119.6190	0.832	28	119.8458	1.174	32	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])2(CH3)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(CH3){1|S<2>,2|H<1>,4|C<3>}	119.8520	0.000	1	119.5053	0.139	14	119.6190	0.832	28	119.8458	1.174	32	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])2(CH3)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(CH3){1|S<2>,2|H<1>,4|C<3>}	119.5580	0.271	6	119.5053	0.139	14	119.6190	0.832	28	119.8458	1.174	32	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])2(CH3)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|C<4>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(CH3){1|S<2>,2|H<1>,4|C<3>}	119.4106	0.453	7	119.5053	0.139	14	119.6190	0.832	28	119.8458	1.174	32	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:3:4:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]N[6a]H)(S[6]C[6,6a])	N[6](C[6,6a]C[6a,6a]C[6,6a])2(CH3)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]S[6])(N[6]C[6,6a]C){1|N<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]N[6a]H)(S[6]C[6,6a]){1|C<4>,4|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])2(CH3){1|S<2>,6|C<3>}	122.1790	0.355	2	122.1790	0.126	2	122.1790	0.126	2	119.8458	1.174	32	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6]-3:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6,6]N[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6]N[6,6]C[6])(C[6,6a]C[6a]N[6])(N[6a]C[6a])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]N[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6]N[6,6]C[6])(C[6,6a]C[6a]N[6])(N[6a]C[6a]){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]C[6a]H)(H){1|H<1>,2|N<2>,4|C<3>}	119.6710	0.000	1	119.6710	0.000	1	119.6710	0.000	1	119.3038	1.672	11	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<4>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|H<1>,1|N<2>,5|C<3>}	116.7000	0.000	1	116.7000	0.000	1	116.7000	0.000	1	119.3038	1.672	11	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[5,6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[5,6])	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[5,6]H){1|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<3>,2|C<4>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	119.9780	0.000	1	119.9780	0.000	1	119.9780	0.000	1	119.3038	1.672	11	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6,6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6,6]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]C)(H){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	119.0510	0.000	1	119.0510	0.000	1	119.0050	0.330	3	119.3038	1.672	11	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6,6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6,6]H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(H){1|H<1>,1|N<3>,1|O<2>,4|C<3>}	118.4090	0.000	1	118.4090	0.000	1	119.0050	0.330	3	119.3038	1.672	11	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6,6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6,6]H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,6|H<1>}	119.5550	0.000	1	119.5550	0.000	1	119.0050	0.330	3	119.3038	1.672	11	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]C)(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,3|C<3>}	118.7220	0.000	1	118.7220	0.000	1	119.2085	0.106	4	119.3038	1.672	11	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]H){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,2|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|O<2>,2|H<1>,5|C<3>}	119.3745	0.062	2	119.3707	0.002	3	119.2085	0.106	4	119.3038	1.672	11	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]H){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	119.3630	0.000	1	119.3707	0.002	3	119.2085	0.106	4	119.3038	1.672	11	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<2>,1|C<3>,1|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6]){1|C<3>,3|C<4>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H){1|H<1>,1|S<2>,2|C<3>,2|C<4>}	122.1440	0.000	1	122.1440	0.000	1	122.1440	0.000	1	119.3038	1.672	11	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:4:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]Br)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]F)(O[6]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(COO)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]Br)(N[6]C[6]C){1|C<3>,1|C<4>,1|F<1>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]F)(O[6]C[6]){1|Br<1>,1|C<4>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(COO){1|Br<1>,1|O<2>,2|C<3>,2|H<1>}	116.6765	0.828	2	116.6765	0.686	2	116.6765	0.686	2	116.6765	0.686	2	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6,6]-4:C-4:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]O)(CCHH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6]C){1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6]){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]O)(CCHH){1|H<1>,1|N<2>,1|O<1>,2|C<3>,2|N<3>}	119.4450	0.000	1	119.4450	0.000	1	119.4450	0.000	1	119.1392	1.032	11	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,1|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO){1|N<2>,2|H<1>,3|C<3>}	119.0090	0.000	1	119.0090	0.000	1	119.0090	0.000	1	119.1392	1.032	11	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:S-4:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[5,6]S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[5,6])	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[5,6]S){1|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<3>,1|S<4>,2|C<4>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(SC[6a]OO){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	119.9780	0.000	1	119.9780	0.000	1	119.9780	0.000	1	119.1392	1.032	11	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]C){2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	119.3110	0.000	1	119.3110	0.000	1	118.2357	0.940	3	119.1392	1.032	11	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]HH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]C){2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6]){2|C<3>,2|C<4>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]HH){1|H<1>,1|O<2>,3|C<3>}	117.9670	0.000	1	117.9670	0.000	1	118.2357	0.940	3	119.1392	1.032	11	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HP)(CC[6a]HH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]C){1|P<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HP)(CC[6a]HH){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	117.4290	0.000	1	117.4290	0.000	1	118.2357	0.940	3	119.1392	1.032	11	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[5,6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(SCOO)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(SCOO){1|H<1>,1|O<2>,4|C<3>}	118.5890	0.000	1	118.5890	0.000	1	119.0303	0.337	3	119.1392	1.032	11	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,1|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO){1|O<2>,2|H<1>,3|C<3>}	118.8140	0.000	1	119.2510	0.382	2	119.0303	0.337	3	119.1392	1.032	11	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]S){2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO){1|H<1>,1|O<2>,3|C<3>}	119.6880	0.000	1	119.2510	0.382	2	119.0303	0.337	3	119.1392	1.032	11	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6]-4:S-4:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6,6]S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6,6]S){1|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6]){1|C<3>,1|S<4>,2|C<4>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(SC[6a]OO){1|S<2>,2|C<3>,2|C<4>,4|H<1>}	121.2520	0.000	1	121.2520	0.000	1	121.2520	0.000	1	119.1392	1.032	11	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:2:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6]){1|C<3>,1|S<4>,2|C<4>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(SC[6a]OO){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	119.0490	0.000	1	119.0490	0.000	1	119.0490	0.000	1	119.1392	1.032	11	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H){2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|O<2>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|O<2>,3|C<3>}	117.5230	0.000	1	117.5230	0.000	1	117.5230	0.000	1	117.6798	0.052	5	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){3|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])2(H){1|N<3>,2|H<1>,4|C<3>}	117.7190	0.242	4	117.7190	0.059	4	117.7190	0.059	4	117.6798	0.052	5	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|N<3>,1|N<4>,3|H<1>,6|C<3>}	118.6535	0.227	2	118.6535	0.052	2	117.7261	0.695	12	117.9252	0.591	26	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a]){1|N<3>,2|H<1>,8|C<3>}	119.3920	0.000	1	119.3920	0.000	1	117.7261	0.695	12	117.9252	0.591	26	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2){1|N<3>,3|H<1>,7|C<3>}	117.3349	0.463	9	117.3349	0.215	9	117.7261	0.695	12	117.9252	0.591	26	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a,6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a,6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|H<1>,7|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a]){2|H<1>,8|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2){1|N<3>,3|H<1>,7|C<3>}	117.5430	0.000	1	117.5430	0.000	1	117.5430	0.000	1	117.9252	0.591	26	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a,6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	N[6](C[6,6a]C[6a,6a]C[6,6a])2(C[6a]C[6a]2)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a]){2|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[6a,6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|H<1>,7|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])2(C[6a]C[6a]2){1|N<3>,2|H<1>,8|C<3>}	117.4670	0.000	1	117.4670	0.000	1	117.4670	0.000	1	117.9252	0.591	26	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(N[6]C[6,6a]C[6a])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(N[6]C[6,6a]C[6a])	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(N[6]C[6,6a]C[6a]){1|H<1>,9|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(N[6]C[6,6a]C[6a]){1|H<1>,9|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a]){1|N<3>,2|H<1>,8|C<3>}	119.6660	0.000	1	119.6660	0.000	1	118.1944	0.493	12	117.9252	0.591	26	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(N[6]C[6,6a]C[6a])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(N[6]C[6,6a]C[6a])	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(N[6]C[6,6a]C[6a]){1|H<1>,9|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(N[6]C[6,6a]C[6a]){1|H<1>,9|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2){1|N<3>,3|H<1>,7|C<3>}	118.0584	0.583	10	118.0584	0.340	10	118.1944	0.493	12	117.9252	0.591	26	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(N[6]C[6,6a]C[6a])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(N[6]C[6,6a]C[6a])	N[6](C[6,6a]C[6a,6a]C[6,6a])2(C[6a]C[6a]2)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(N[6]C[6,6a]C[6a]){1|H<1>,9|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(N[6]C[6,6a]C[6a]){1|H<1>,9|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])2(C[6a]C[6a]2){1|N<3>,2|H<1>,8|C<3>}	118.0830	0.000	1	118.0830	0.000	1	118.1944	0.493	12	117.9252	0.591	26	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[5])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(CH3){2|H<1>,5|C<3>}	117.9195	0.516	6	117.9195	0.266	6	117.9195	0.266	6	118.2490	0.982	7	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]CH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]CH){4|H<1>,5|C<3>}	120.2260	0.000	1	120.2260	0.000	1	120.2260	0.000	1	118.2490	0.982	7	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[5,6a]H)(N[6]C[6]H)	C[6,6a](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6a]N[6])(C[6a]C[5,6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]CC)(H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[5,6a]H)(N[6]C[6]H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<2>,2|C<4>}	C[6,6a](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6a]N[6])(C[6a]C[5,6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]CC)(H){1|H<1>,4|C<3>}	118.8220	0.000	1	118.8220	0.000	1	119.2726	0.675	13	119.4462	1.066	79	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[5a,6]C[5a,6a]N[5a,6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]CC)(H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[5a,6]C[5a,6a]N[5a,6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|N<2>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]CC)(H){1|H<1>,1|N<2>,3|C<3>}	119.5540	0.000	1	119.5540	0.000	1	119.2726	0.675	13	119.4462	1.066	79	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a]C)(H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a]C)(H){1|H<1>,6|C<3>}	118.2740	0.000	1	118.2740	0.000	1	119.2726	0.675	13	119.4462	1.066	79	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]CC)(H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|N<2>,1|N<3>,2|C<4>,2|H<1>}	C[6,6a](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]CC)(H){1|H<1>,4|C<3>}	118.2010	0.000	1	118.8377	0.698	3	119.2726	0.675	13	119.4462	1.066	79	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]CC)(H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|N<2>,1|N<3>,2|C<4>,2|H<1>}	C[6,6a](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]CC)(H){1|H<1>,4|C<3>}	118.5280	0.000	1	118.8377	0.698	3	119.2726	0.675	13	119.4462	1.066	79	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]CC)(H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>,1|N<3>,2|C<4>}	C[6,6a](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,2|N<2>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]CC)(H){1|H<1>,1|N<2>,3|C<3>}	119.7840	0.000	1	118.8377	0.698	3	119.2726	0.675	13	119.4462	1.066	79	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[5]H)(H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,3|H<1>}	C[6,6a](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[5]H)(H){1|Fe<10>,1|H<1>,2|C<4>,4|C<3>}	120.5570	0.000	1	120.5570	0.000	1	119.2726	0.675	13	119.4462	1.066	79	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a]H)(H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a]H)(H){1|H<1>,1|N<2>,5|C<3>}	120.3020	0.000	1	119.4707	0.594	6	119.2726	0.675	13	119.4462	1.066	79	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a]H)(H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a]H)(H){1|H<1>,6|C<3>}	119.3044	0.732	5	119.4707	0.594	6	119.2726	0.675	13	119.4462	1.066	79	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]H)	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]2)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]H){2|C<3>,2|H<1>,3|C<4>}	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]2)(H){2|C<4>,4|C<3>,5|H<1>}	119.1620	0.000	1	119.1620	0.000	1	119.1620	0.000	1	119.4462	1.066	79	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]H)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]2)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]2)(H){2|C<4>,4|C<3>,5|H<1>}	119.6870	0.000	1	119.6870	0.000	1	119.6870	0.000	1	119.4462	1.066	79	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|N<2>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]H)(H){1|H<1>,6|C<3>}	118.2950	0.000	1	118.2950	0.000	1	118.2950	0.000	1	119.4462	1.066	79	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]H)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H){2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]H)(C[6a]C[6a]H){1|C<2>,1|C<3>,2|C<4>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(H){2|C<4>,3|C<3>,3|H<1>}	119.0070	0.000	1	119.0070	0.000	1	118.9105	0.019	2	119.4462	1.066	79	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5,6]O)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5,6]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(H){2|H<1>,3|C<3>,3|C<4>}	118.8140	0.000	1	118.8140	0.000	1	118.9105	0.019	2	119.4462	1.066	79	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]N[6a]N)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]H){1|C<4>,1|N<2>,2|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]N[6a]N){1|C<2>,1|C<4>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(H){1|C<2>,1|H<1>,5|C<3>}	120.3280	0.000	1	120.3280	0.000	1	119.1280	1.731	3	119.4462	1.066	79	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(H){2|H<1>,5|C<3>}	119.3350	0.000	1	119.3350	0.000	1	119.1280	1.731	3	119.4462	1.066	79	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<2>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]N[6])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H){1|H<1>,5|C<3>}	117.7210	0.000	1	117.7210	0.000	1	119.1280	1.731	3	119.4462	1.066	79	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[5,6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2N[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2N[6])(H){1|H<1>,2|O<1>,6|C<3>}	118.7300	0.000	1	118.7300	0.000	1	118.7300	0.000	1	119.4462	1.066	79	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6,6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]S)(C[6]N[6]O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2N[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6,6]H){1|N<3>,1|O<1>,1|S<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]S)(C[6]N[6]O){1|C<2>,1|C<3>,1|C<4>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2N[6])(H){1|C<2>,2|C<4>,3|C<3>,5|H<1>}	120.1230	0.000	1	120.1230	0.000	1	119.1018	0.563	4	119.4462	1.066	79	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2N[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<4>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2N[6])(H){2|C<4>,3|C<3>,6|H<1>}	119.1470	0.000	1	118.7613	0.150	3	119.1018	0.563	4	119.4462	1.066	79	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2N[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|C<4>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2N[6])(H){2|C<4>,3|C<3>,6|H<1>}	118.7640	0.000	1	118.7613	0.150	3	119.1018	0.563	4	119.4462	1.066	79	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2N[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,2|C<4>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2N[6])(H){2|C<4>,3|C<3>,6|H<1>}	118.3730	0.000	1	118.7613	0.150	3	119.1018	0.563	4	119.4462	1.066	79	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[5,6a]H)(C[6]C[6]O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(N[6]C[6]H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[5,6a]H)(C[6]C[6]O){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){3|H<1>,5|C<3>}	121.1220	0.000	1	121.1220	0.000	1	119.4197	1.529	33	119.4462	1.066	79	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<4>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H){1|H<1>,4|C<3>}	118.9450	0.000	1	118.9450	0.000	1	119.4197	1.529	33	119.4462	1.066	79	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|Br<1>,1|C<3>,1|C<4>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H){2|H<1>,3|C<3>}	120.0470	0.000	1	120.0447	0.026	3	119.4197	1.529	33	119.4462	1.066	79	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,1|C<4>,1|I<1>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H){2|H<1>,3|C<3>}	120.2040	0.000	1	120.0447	0.026	3	119.4197	1.529	33	119.4462	1.066	79	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){2|C<3>,2|H<1>,3|C<4>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|Br<1>,1|C<3>,1|C<4>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H){2|H<1>,3|C<3>}	119.8830	0.000	1	120.0447	0.026	3	119.4197	1.529	33	119.4462	1.066	79	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|C<4>,5|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){3|H<1>,5|C<3>}	121.1927	0.300	3	121.1748	0.061	4	119.4197	1.529	33	119.4462	1.066	79	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){2|H<1>,6|C<3>}	121.1210	0.000	1	121.1748	0.061	4	119.4197	1.529	33	119.4462	1.066	79	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6a]N[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|C<4>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6a]N[6])(H){1|O<2>,2|H<1>,6|C<3>}	119.2170	0.000	1	119.2170	0.000	1	119.4197	1.529	33	119.4462	1.066	79	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|C<4>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]C)(H){2|H<1>,5|C<3>}	118.6605	0.284	2	118.6605	0.080	2	119.4197	1.529	33	119.4462	1.066	79	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H){1|H<1>,1|N<2>,5|C<3>}	114.3630	0.000	1	117.7437	8.659	3	119.4197	1.529	33	119.4462	1.066	79	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|C<4>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H){2|H<1>,5|C<3>}	119.4340	0.419	2	117.7437	8.659	3	119.4197	1.529	33	119.4462	1.066	79	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,3|C<4>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|C<4>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H){2|H<1>,3|C<3>}	119.1660	0.000	1	119.4596	0.138	11	119.4197	1.529	33	119.4462	1.066	79	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|N<2>,1|O<1>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|C<4>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H){1|H<1>,3|C<3>}	119.6140	0.000	3	119.4596	0.138	11	119.4197	1.529	33	119.4462	1.066	79	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|C<4>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H){2|H<1>,3|C<3>}	119.5380	0.393	6	119.4596	0.138	11	119.4197	1.529	33	119.4462	1.066	79	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H){1|H<1>,4|C<3>}	118.8200	0.000	1	119.4596	0.138	11	119.4197	1.529	33	119.4462	1.066	79	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,2|C<4>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H){1|C<4>,1|H<1>,3|C<3>}	118.9872	0.461	6	118.9872	0.212	6	119.4197	1.529	33	119.4462	1.066	79	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]Pd)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|Pd<4>,1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]Pd){1|C<4>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H){1|H<1>,4|C<3>}	118.2010	0.000	1	118.2010	0.000	1	119.4197	1.529	33	119.4462	1.066	79	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:S[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O)	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]H){1|O<2>,2|C<3>,2|H<1>,2|O<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O){1|S<4>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(H){1|H<1>,4|C<3>}	120.3180	0.000	1	120.3180	0.000	1	120.3180	0.000	1	119.4462	1.066	79	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H){3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	118.9290	0.000	1	118.9290	0.000	1	119.9462	0.736	16	119.4462	1.066	79	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|C<4>,5|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|C<4>,5|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H){1|N<3>,2|C<3>,3|H<1>}	119.8385	0.282	2	119.8385	0.080	2	119.9462	0.736	16	119.4462	1.066	79	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,3|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|H<1>,1|N<3>,6|C<3>}	118.7710	0.000	1	120.0410	0.815	13	119.9462	0.736	16	119.4462	1.066	79	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,2|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|N<2>,1|N<3>,2|H<1>,4|C<3>}	118.8120	0.000	1	120.0410	0.815	13	119.9462	0.736	16	119.4462	1.066	79	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,2|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|N<3>,2|H<1>,5|C<3>}	120.2682	0.781	11	120.0410	0.815	13	119.9462	0.736	16	119.4462	1.066	79	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|F<1>,2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|F<1>,2|C<3>,2|C<4>,5|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H){1|N<3>,2|H<1>,5|C<3>}	120.1820	0.000	1	120.1820	0.000	1	120.1820	0.000	1	119.4462	1.066	79	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[6a]C)(H)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[6a]C)(H){1|H<1>,1|N<3>,5|C<3>}	118.5530	0.000	1	118.5530	0.000	1	118.8675	0.198	2	119.4462	1.066	79	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[6a]H)(H)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){3|H<1>,4|C<3>}	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[6a]H)(H){1|H<1>,1|N<3>,5|C<3>}	119.1820	0.000	1	119.1820	0.000	1	118.8675	0.198	2	119.4462	1.066	79	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]N[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(COO)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|Cl<1>,1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]N[6]){3|C<4>,3|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(COO){1|H<1>,4|C<3>}	118.0740	0.000	1	118.0740	0.000	1	118.0740	0.000	1	118.0740	0.000	1	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[5,6]C[5,5a]C[5,6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(SC[6a]OO)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){3|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,5a]C[5,6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|S<4>,2|C<4>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(SC[6a]OO){1|C<4>,1|H<1>,5|C<3>}	118.9580	0.000	1	118.9580	0.000	1	118.9505	0.000	2	119.4292	1.416	57	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CH)(SC[6a]OO)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<3>,1|S<4>,3|C<4>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CH)(SC[6a]OO){1|C<4>,2|H<1>,3|C<3>}	118.9430	0.000	1	118.9430	0.000	1	118.9505	0.000	2	119.4292	1.416	57	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,2|C<3>,4|H<1>}	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,1|S<4>,2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(SC[6a]OO){1|H<1>,5|C<3>}	119.2510	0.000	1	119.4670	0.093	2	119.1427	0.362	3	119.4292	1.416	57	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,2|C<3>,4|H<1>}	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|S<4>,2|H<1>,3|C<3>,3|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(SC[6a]OO){1|C<4>,1|H<1>,4|C<3>}	119.6830	0.000	1	119.4670	0.093	2	119.1427	0.362	3	119.4292	1.416	57	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]O){1|C<3>,1|S<4>,3|C<4>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(SC[6a]OO){1|C<4>,1|H<1>,3|C<3>}	118.4940	0.000	1	118.4940	0.000	1	119.1427	0.362	3	119.4292	1.416	57	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:S[6]-4:C-4:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]S[6]C)	C[6,6a](C[6,6]C[6,6]O[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6,6]OO)(CH3)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]S[6]C){1|O<2>,2|C<3>,2|H<1>,2|O<1>}	C[6,6a](C[6,6]C[6,6]O[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6,6]OO)(CH3){1|C<4>,1|H<1>,3|C<3>}	119.5570	0.000	1	119.5570	0.000	1	119.5570	0.000	1	119.4292	1.416	57	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)(CH3)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|C<2>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)(CH3){1|H<1>,4|C<3>}	119.0150	0.000	1	119.0150	0.000	1	119.3830	0.271	2	119.4292	1.416	57	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(CH3)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(CH3){1|H<1>,4|C<3>}	119.7510	0.000	1	119.7510	0.000	1	119.3830	0.271	2	119.4292	1.416	57	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[6,6a]C[5,6a]C[6,6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){1|O<2>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[5,6a]C[6,6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|H<1>,1|O<2>,1|S<4>,2|C<4>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(SC[6a]OO){1|H<1>,4|C<3>}	120.3830	0.000	1	119.9175	0.433	2	119.1998	0.781	5	119.4292	1.416	57	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[6,6a]C[5,6a]C[6,6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[5,6a]C[6,6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|H<1>,1|O<2>,1|S<4>,2|C<4>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(SC[6a]OO){1|H<1>,4|C<3>}	119.4520	0.000	1	119.9175	0.433	2	119.1998	0.781	5	119.4292	1.416	57	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,1|S<4>,3|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)(SC[6a]OO){1|H<1>,4|C<3>}	117.9560	0.000	1	117.9560	0.000	1	119.1998	0.781	5	119.4292	1.416	57	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,1|S<4>,3|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(SC[6a]OO){1|H<1>,4|C<3>}	119.1040	0.308	2	119.1040	0.095	2	119.1998	0.781	5	119.4292	1.416	57	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:S[6]-4:C-4:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]S[6]C)	C[6,6a](C[6,6a]C[6,6a]O[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6,6a]OO)(CH3)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]S[6]C){1|O<2>,2|C<3>,2|H<1>,2|O<1>}	C[6,6a](C[6,6a]C[6,6a]O[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6,6a]OO)(CH3){1|H<1>,4|C<3>}	120.7440	0.000	1	120.7440	0.000	1	120.7440	0.000	1	119.4292	1.416	57	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(N[6]C[6]S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(N[6]C[6]S){3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|S<4>,2|C<4>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO){1|Br<1>,1|C<4>,3|C<3>}	117.8580	0.000	1	117.8580	0.000	1	118.4480	0.445	7	119.4292	1.416	57	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|S<4>,2|C<4>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(SC[6a]OO){1|C<4>,1|H<1>,3|C<3>}	118.0490	0.367	3	118.0490	0.134	3	118.4480	0.445	7	119.4292	1.416	57	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|S<4>,3|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO){2|H<1>,3|C<3>}	118.5580	0.000	1	118.7820	0.100	2	118.4480	0.445	7	119.4292	1.416	57	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|S<4>,2|C<4>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO){1|C<4>,1|H<1>,3|C<3>}	119.0060	0.000	1	118.7820	0.100	2	118.4480	0.445	7	119.4292	1.416	57	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6])(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|H<1>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,1|S<4>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6])(SC[6a]OO){2|H<1>,7|C<3>}	119.5670	0.000	1	119.5670	0.000	1	118.4480	0.445	7	119.4292	1.416	57	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){2|C<3>,2|C<4>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CH3){1|H<1>,4|C<3>}	119.6795	0.086	2	119.6795	0.007	2	119.2256	0.248	5	119.4292	1.416	57	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3]N[6]H)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3]N[6]H)(CH3){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	119.2720	0.000	1	119.2720	0.000	1	119.2256	0.248	5	119.4292	1.416	57	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(CCHH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,2|C<4>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(CCHH){2|H<1>,5|C<3>}	118.7485	0.337	2	118.7485	0.114	2	119.2256	0.248	5	119.4292	1.416	57	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,1|S<4>,2|C<4>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO){1|C<4>,1|H<1>,3|C<3>}	118.2070	0.000	1	118.2070	0.000	1	118.5234	0.449	5	119.4292	1.416	57	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){2|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO){1|H<1>,4|C<3>}	117.9080	0.000	1	117.9080	0.000	1	118.5234	0.449	5	119.4292	1.416	57	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|S<4>,2|C<4>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO){1|C<4>,2|H<1>,3|C<3>}	118.4450	0.000	1	118.4450	0.000	1	118.5234	0.449	5	119.4292	1.416	57	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]S)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6])(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|S<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]S){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6])(SC[6a]OO){2|H<1>,7|C<3>}	119.6610	0.000	1	119.6610	0.000	1	118.5234	0.449	5	119.4292	1.416	57	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|S<4>,2|C<4>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(SC[6a]OO){1|C<4>,1|H<1>,3|C<3>}	118.3960	0.000	1	118.3960	0.000	1	118.5234	0.449	5	119.4292	1.416	57	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:S[6]-4:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]N)	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]C){1|C<3>,1|C<4>,1|N<2>,2|H<1>,2|O<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]N){1|Br<1>,1|C<3>,1|C<4>,1|S<4>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CH3){3|C<3>,3|H<1>}	121.2175	0.286	2	121.2175	0.082	2	121.3220	0.074	3	119.4292	1.416	57	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:S[6]-4:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O)	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CCHH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]C){1|C<3>,1|C<4>,2|H<1>,3|O<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|C<4>,1|S<4>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CCHH){3|C<3>,3|H<1>}	121.5310	0.000	1	121.5310	0.000	1	121.3220	0.074	3	119.4292	1.416	57	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6,6]-4:C-4:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CH3)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6]C){1|C<2>,1|C<3>,2|H<1>,3|C<4>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6]C){1|C<2>,1|C<3>,2|H<1>,3|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CH3){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	119.7380	0.000	1	119.7380	0.000	1	119.7380	0.000	1	119.4292	1.416	57	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6,6]-4:S-4:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(N[6]C[6,6]S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6]S)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(N[6]C[6,6]S){1|C<3>,1|S<4>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6]S){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(SC[6a]OO){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	118.1400	0.000	1	118.1400	0.000	1	118.7315	0.700	2	119.4292	1.416	57	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6,6]-4:S-4:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6]S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6]S)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6]S){1|C<3>,1|S<4>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6]S){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(SC[6a]OO){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	119.3230	0.000	1	119.3230	0.000	1	118.7315	0.700	2	119.4292	1.416	57	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCHH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C){2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCHH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	117.6780	0.000	1	117.6780	0.000	1	118.0607	0.407	6	119.4292	1.416	57	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]H)(CC[6a]HH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C){3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]H)(CC[6a]HH){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	117.6490	0.000	1	117.6477	0.001	3	118.0607	0.407	6	119.4292	1.416	57	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]H)(CC[6a]HH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C){3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H){1|Cl<1>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]H)(CC[6a]HH){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	117.6470	0.037	2	117.6477	0.001	3	118.0607	0.407	6	119.4292	1.416	57	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CC[6a]HH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C){1|O<2>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CC[6a]HH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	119.0480	0.000	1	119.0480	0.000	1	118.0607	0.407	6	119.4292	1.416	57	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]Si[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]Si[6]CC)(CCHH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C){1|Si<4>,1|C<3>,2|H<1>,3|C<4>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]Si[6]C){1|Cl<1>,1|Si<4>,1|C<3>,2|C<4>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]Si[6]CC)(CCHH){1|Cl<1>,1|Si<4>,1|H<1>,1|N<3>,2|C<3>}	118.6950	0.000	1	118.6950	0.000	1	118.0607	0.407	6	119.4292	1.416	57	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,1|C<4>,5|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|S<4>,2|C<4>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	118.9030	0.000	1	118.9030	0.000	1	120.5070	1.941	3	119.4292	1.416	57	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]S)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]S){1|S<4>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO){1|H<1>,1|N<3>,3|C<3>}	121.3090	0.148	2	121.3090	0.022	2	120.5070	1.941	3	119.4292	1.416	57	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[5a]H)(SC[6a]OO)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){1|Br<1>,2|H<1>,4|C<3>}	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,1|S<4>,3|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[5a]H)(SC[6a]OO){1|H<1>,1|N<3>,1|O<2>,4|C<3>}	119.1630	0.000	1	119.1630	0.000	1	119.1630	0.000	1	119.4292	1.416	57	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]CH)(CH3)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[6]C[6]C){1|C<4>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]CH)(CH3){5|C<3>}	120.7095	0.141	2	120.7095	0.020	2	120.8974	0.114	10	119.4292	1.416	57	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]HH)(CCHH)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[6]C[6]C){4|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]HH)(CCHH){5|C<3>}	120.2430	0.000	1	120.2430	0.000	1	120.8974	0.114	10	119.4292	1.416	57	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]HH)(CH3)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[6]C[6]C){4|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]HH)(CH3){5|C<3>}	121.0458	0.277	5	121.0458	0.077	5	120.8974	0.114	10	119.4292	1.416	57	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]HO)(CH3)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[6]C[6]C){1|O<2>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]HO)(CH3){5|C<3>}	121.0415	0.213	2	121.0415	0.045	2	120.8974	0.114	10	119.4292	1.416	57	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:3:	4:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]H)	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6]C[6,6a]N[5a,6]C[6])(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	N[6](C[6,6]C[6,6a]N[5a,6]C[6])(C[6,6a]C[6,6a]C[6a])(H){1|C<4>,1|N<2>,3|H<1>,5|C<3>}	118.7190	0.000	1	118.7190	0.000	1	118.7190	0.000	1	118.7190	0.000	1	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:S[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]S[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]S[6]H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|O<2>,1|S<3>,2|C<4>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]O)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	119.8100	0.000	1	119.8100	0.000	1	119.8100	0.000	1	119.8100	0.000	1	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CC)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCCH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|B<3>,1|C<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCCH){1|C<4>,2|C<3>,2|H<1>}	119.5960	0.000	1	119.5960	0.000	1	119.5960	0.000	1	119.5521	0.934	8	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:S-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CO)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CO){1|S<4>,2|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(SC[6a]OO){1|C<4>,2|C<3>,3|H<1>}	120.4300	0.252	2	120.4300	0.063	2	119.5845	1.253	4	119.5521	0.934	8	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:S-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HO)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|S<4>,2|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(SC[6a]OO){1|C<4>,2|C<3>,3|H<1>}	119.3860	0.000	1	119.3860	0.000	1	119.5845	1.253	4	119.5521	0.934	8	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:S-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HO)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|Br<1>,1|S<4>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(SC[6a]OO){1|C<4>,2|H<1>,3|C<3>}	118.0920	0.000	1	118.0920	0.000	1	119.5845	1.253	4	119.5521	0.934	8	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6a]C[6])(C[6a]C[6a]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]N[6a])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6a]C[6])(C[6a]C[6a]C){1|C<4>,1|N<2>,2|C<3>,6|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){2|C<3>,2|C<4>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]N[6a])(C[6]C[6]HH){2|H<1>,3|C<4>,4|C<3>}	118.8510	0.526	2	118.8510	0.277	2	119.4943	1.380	3	119.5521	0.934	8	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,6|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH){2|C<4>,4|C<3>,4|H<1>}	120.7810	0.000	1	120.7810	0.000	1	119.4943	1.380	3	119.5521	0.934	8	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]H)	C[6,6a](C[5a,6a]C[5a,6a]2)(C[6,6a]C[6a]N[6])(C[6]C[6,6]CC)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]H){2|C<3>,2|H<1>,4|C<4>}	C[6,6a](C[5a,6a]C[5a,6a]2)(C[6,6a]C[6a]N[6])(C[6]C[6,6]CC){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H){2|C<3>,3|C<4>,4|H<1>}	122.5600	0.000	1	122.5600	0.000	1	122.5600	0.000	1	120.9767	0.945	24	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[5a]C[6a])(C[6]C[6]N[5]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[5a]C[6a])(C[6]C[6]N[5]H){1|N<2>,2|C<4>,3|C<3>,5|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|C<4>,3|H<1>,4|C<3>}	121.8300	0.476	3	121.8300	0.227	3	120.9125	0.885	21	120.9767	0.945	24	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,2|C<4>,5|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|Br<1>,1|C<3>,1|C<4>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H){1|C<4>,2|C<3>,3|H<1>}	121.7550	0.000	1	121.3775	0.285	2	120.9125	0.885	21	120.9767	0.945	24	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,2|C<4>,5|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.0000	0.000	1	121.3775	0.285	2	120.9125	0.885	21	120.9767	0.945	24	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){2|C<3>,2|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|F<1>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|C<4>,3|H<1>,4|C<3>}	121.5560	0.000	1	121.5560	0.000	1	120.9125	0.885	21	120.9767	0.945	24	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CN)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CN){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H){1|C<4>,2|C<3>,3|H<1>}	122.0660	0.000	1	122.0660	0.000	1	120.9125	0.885	21	120.9767	0.945	24	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H){1|C<4>,2|H<1>,3|C<3>}	120.5680	0.000	1	120.2757	0.450	3	120.9125	0.885	21	120.9767	0.945	24	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|C<4>,6|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|F<1>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H){1|C<4>,2|H<1>,3|C<3>}	120.7510	0.000	1	120.2757	0.450	3	120.9125	0.885	21	120.9767	0.945	24	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|C<4>,6|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){2|C<3>,2|C<4>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H){1|H<1>,2|C<4>,3|C<3>}	119.5080	0.000	1	120.2757	0.450	3	120.9125	0.885	21	120.9767	0.945	24	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,5|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(H){1|C<4>,3|H<1>,4|C<3>}	120.5740	0.000	1	120.5740	0.000	1	120.9125	0.885	21	120.9767	0.945	24	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,2|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|S<2>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|C<4>,1|S<2>,2|H<1>,4|C<3>}	120.7870	0.000	1	120.7870	0.000	1	120.9125	0.885	21	120.9767	0.945	24	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HS)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|S<4>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HS){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|C<4>,3|H<1>,4|C<3>}	122.2530	0.000	1	122.2530	0.000	1	120.9125	0.885	21	120.9767	0.945	24	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]HH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<2>,2|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<3>,1|C<4>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H){1|C<4>,1|H<1>,4|C<3>}	119.9895	0.108	2	120.3344	0.244	5	120.9125	0.885	21	120.9767	0.945	24	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]HH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,2|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H){1|C<4>,1|H<1>,1|N<2>,1|S<4>,3|C<3>}	120.9740	0.000	1	120.3344	0.244	5	120.9125	0.885	21	120.9767	0.945	24	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]HH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,2|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H){1|C<4>,1|H<1>,1|S<4>,4|C<3>}	120.7580	0.000	1	120.3344	0.244	5	120.9125	0.885	21	120.9767	0.945	24	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]HH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,2|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<3>,1|C<4>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H){1|C<4>,2|H<1>,4|C<3>}	119.9610	0.000	1	120.3344	0.244	5	120.9125	0.885	21	120.9767	0.945	24	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]HH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<3>,1|C<4>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CC)(H){1|C<4>,1|H<1>,2|C<3>}	119.5070	0.201	2	119.5070	0.040	2	120.9125	0.885	21	120.9767	0.945	24	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HO)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	122.1690	0.000	1	122.1690	0.000	1	120.9125	0.885	21	120.9767	0.945	24	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:4:1:	C[6,6a]-3:N[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(N[6]C[6]H)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]N[6a]O)(C[6]O[6]CH)	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]O[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(N[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>,2|O<1>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]N[6a]O)(C[6]O[6]CH){1|C<3>,1|H<1>,3|C<4>}	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]O[6]H)(H){2|C<4>,4|C<3>}	121.7000	0.000	1	121.7000	0.000	1	121.7000	0.000	1	120.9767	0.945	24	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:4:1:	C[6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6,6a]H)(C[6]C[6]CC)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)	C[6,6a](C[6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]H){1|H<1>,1|N<3>,3|C<3>,5|C<4>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6,6a]H)(C[6]C[6]CC){2|C<3>,2|C<4>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H){1|C<4>,2|H<1>,3|C<3>}	120.0180	0.000	1	120.0180	0.000	1	120.0180	0.000	1	120.9767	0.945	24	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:4:2:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O[6]-2:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6]O[6])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(O[6]C[6]){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	118.2410	0.000	1	118.3175	0.012	2	118.3175	0.012	2	118.3175	0.012	2	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:4:2:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O[6]-2:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6]O[6])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(O[6]C[6]){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	118.3940	0.000	1	118.3175	0.012	2	118.3175	0.012	2	118.3175	0.012	2	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:4:3:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]2)(C[6]C[6]HH)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(CC[6a]O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]C){1|C<4>,1|N<2>,3|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,3|H<1>,5|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(CC[6a]O){1|C<4>,2|H<1>,3|C<3>}	119.4120	0.000	1	119.4120	0.000	1	119.4120	0.000	1	119.4120	0.000	1	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]N[6])(C[6]C[6]HH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(N[6]C[6]C){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]N[6])(C[6]C[6]HH){2|C<3>,2|H<1>,4|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH){2|C<3>,2|C<4>,2|H<1>}	121.0660	0.000	1	121.0660	0.000	1	121.0660	0.000	1	119.3388	2.426	18	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]O)(C[6]C[6]HH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]C){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<3>,2|H<1>,4|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH){2|C<3>,2|C<4>,2|H<1>}	121.3920	0.000	1	121.3920	0.000	1	121.3920	0.000	1	119.3388	2.426	18	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:P-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]P)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(PC[6a]2Ir)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]P){1|C<4>,2|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|P<4>,2|C<4>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(PC[6a]2Ir){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	118.8400	0.000	1	118.8400	0.000	1	118.8400	0.000	1	119.3388	2.426	18	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<2>,1|C<3>,2|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(SC[6a]OO){1|C<4>,2|H<1>,3|C<3>}	120.3390	0.000	1	118.5030	2.630	3	118.7249	1.171	13	119.3388	2.426	18	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,3|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|N<3>,1|S<4>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(SC[6a]OO){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	117.5850	0.451	2	118.5030	2.630	3	118.7249	1.171	13	119.3388	2.426	18	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<2>,1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,1|O<2>,1|S<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO){1|C<4>,2|H<1>,3|C<3>}	120.2610	0.000	1	120.0855	0.062	2	118.7249	1.171	13	119.3388	2.426	18	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,2|C<4>,5|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO){1|C<4>,2|H<1>,3|C<3>}	119.9100	0.000	1	120.0855	0.062	2	118.7249	1.171	13	119.3388	2.426	18	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|S<4>,2|C<2>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(SC[6a]OO){1|C<4>,1|H<1>,2|C<2>,4|C<3>}	117.7660	0.000	1	117.7660	0.000	1	118.7249	1.171	13	119.3388	2.426	18	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,2|C<4>,5|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|S<4>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(SC[6a]OO){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	117.8995	0.221	2	117.8995	0.049	2	118.7249	1.171	13	119.3388	2.426	18	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SCOO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,1|C<4>,6|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|S<4>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SCOO){1|C<4>,2|C<3>,3|H<1>}	119.0845	0.641	2	119.0845	0.411	2	118.7249	1.171	13	119.3388	2.426	18	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,1|C<4>,6|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|S<4>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO){1|C<4>,2|C<3>,3|H<1>}	119.1930	0.477	2	119.1930	0.227	2	118.7249	1.171	13	119.3388	2.426	18	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HO)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<4>,1|F<1>,1|S<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(SC[6a]OO){1|C<4>,1|F<1>,1|H<1>,5|C<3>}	117.6240	0.000	1	117.6240	0.000	1	118.7249	1.171	13	119.3388	2.426	18	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]N[6]OO)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CCHH)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|N<3>,2|O<1>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]N[6]OO){1|Cl<1>,1|C<3>,1|H<1>,3|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CCHH){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	120.3100	0.000	1	120.3100	0.000	1	120.3100	0.000	1	119.3388	2.426	18	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	3:4:4:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6]H)(CC[6a]HH)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]C){2|C<4>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){2|C<3>,2|C<4>,3|H<1>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6]H)(CC[6a]HH){1|C<4>,2|H<1>,5|C<3>}	123.0670	0.000	1	123.0670	0.000	1	123.0670	0.000	1	119.3388	2.426	18	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	4:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5a,6a]-3:C[6,6a]-3:C[6]-4:	C[5,6]-4:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H)	C[6,6a](C[5a,6a]C[5a,6a]2)(C[6,6a]C[6a]N[6])(C[6]C[5,6]CC)	N[6](C[5,6]C[5,5a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H){2|H<1>,3|C<3>,3|C<4>}	C[6,6a](C[5a,6a]C[5a,6a]2)(C[6,6a]C[6a]N[6])(C[6]C[5,6]CC){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	N[6](C[5,6]C[5,5a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	121.5867	0.605	3	121.5867	0.366	3	121.5867	0.366	3	121.9055	0.651	4	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:3:4:	4:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6]-4:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]H)	C[6,6a](C[5a,6a]C[5a,6a]2)(C[6,6a]C[6a]N[6])(C[6]C[6,6]CC)	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]H){2|H<1>,3|C<3>,3|C<4>}	C[6,6a](C[5a,6a]C[5a,6a]2)(C[6,6a]C[6a]N[6])(C[6]C[6,6]CC){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(H){2|C<4>,2|H<1>,4|C<3>}	122.8620	0.000	1	122.8620	0.000	1	122.8620	0.000	1	121.9055	0.651	4	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[5a,6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5a,6]HH)(C[6a]C[6a]H)	N[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[5a,6]H)(C[6a]C[6a]H){1|N<3>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5a,6]HH)(C[6a]C[6a]H){3|C<3>,3|H<1>}	N[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(H){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	122.0120	0.000	1	122.0120	0.000	1	121.3165	0.967	2	120.4530	1.321	4	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[5a,6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5a,6]HH)(C[6a]C[6a]H)	N[6](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[5a,6]H)(C[6a]C[6a]H){1|N<3>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5a,6]HH)(C[6a]C[6a]H){3|C<3>,3|H<1>}	N[6](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(H){1|C<4>,1|H<1>,5|C<3>}	120.6210	0.000	1	120.6210	0.000	1	121.3165	0.967	2	120.4530	1.321	4	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H){3|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])2(H){1|C<4>,2|H<1>,4|C<3>}	119.5895	0.115	2	119.5895	0.013	2	119.5895	0.013	2	120.4530	1.321	4	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:4:3:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|C<4>,4|H<1>,6|C<3>}	119.0800	0.427	6	119.0800	0.183	6	119.5476	0.883	8	119.5476	0.883	8	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:4:3:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]N[6a])	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|N<2>,2|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]N[6a]){1|C<4>,3|H<1>,6|C<3>}	120.9505	0.149	2	120.9505	0.022	2	119.5476	0.883	8	119.5476	0.883	8	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:4:3:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]HN)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(CC[6a]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]C){1|C<3>,1|C<4>,1|N<2>,1|N<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]HN)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(CC[6a]HH){1|H<1>,2|C<4>,4|C<3>}	121.3290	0.000	1	121.3290	0.000	1	121.3290	0.000	1	120.8403	0.216	3	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:4:3:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:Si[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]Si[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(Si[6]C[6,6a]Pt2)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(CH3)	C[6,6a](C[6,6a]C[6a]Si[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|Pt<4>,1|Pt<5>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(Si[6]C[6,6a]Pt2)(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(CH3){1|Si<4>,2|H<1>,4|C<3>}	120.5960	0.273	2	120.5960	0.074	2	120.5960	0.074	2	120.8403	0.216	3	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:4:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]CC)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H){1|C<3>,3|H<1>,4|C<4>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]CC)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,2|C<4>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	122.1530	0.000	1	122.1530	0.000	1	121.4327	1.437	3	121.8387	1.159	23	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:4:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]2H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H){1|C<3>,2|C<4>,5|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]2H)(H){2|C<3>,2|H<1>,5|C<4>}	122.0960	0.000	1	122.0960	0.000	1	121.4327	1.437	3	121.8387	1.159	23	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:4:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5,6]HH)(C[6a]C[6a]F)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H){1|C<3>,1|F<1>,1|N<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5,6]HH)(C[6a]C[6a]F){1|C<4>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]C)(H){2|C<4>,3|C<3>,3|H<1>}	120.0490	0.000	1	120.0490	0.000	1	121.4327	1.437	3	121.8387	1.159	23	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:4:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]2C[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]H){1|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]2C[6])(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<4>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	121.3460	0.000	1	121.3460	0.000	1	121.3786	0.252	13	121.8387	1.159	23	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:4:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]B[5]C[6]H)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|B<3>,1|C<4>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]B[5]C[6]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|O<2>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]H)(H){1|C<4>,2|H<1>,5|C<3>}	121.2070	0.000	1	121.2070	0.000	1	121.3786	0.252	13	121.8387	1.159	23	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:4:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5a]C[6]H)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5a]C[6]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|C<4>,2|H<1>,5|C<3>}	121.2380	0.000	1	121.2380	0.000	1	121.3786	0.252	13	121.8387	1.159	23	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:4:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|C<4>,6|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H){1|H<1>,2|C<3>,3|C<4>}	120.3790	0.000	1	120.3790	0.000	1	121.3786	0.252	13	121.8387	1.159	23	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:4:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]2C[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]2C[6])(C[6a]C[6a]H){1|C<4>,3|H<1>,6|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H){1|C<4>,1|H<1>,3|C<3>}	122.0760	0.000	1	122.0760	0.000	1	121.3786	0.252	13	121.8387	1.159	23	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:4:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|C<4>,3|H<1>,4|C<3>}	121.5020	0.000	1	121.5020	0.000	1	121.3786	0.252	13	121.8387	1.159	23	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:4:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|C<4>,3|H<1>,4|C<3>}	121.1600	0.410	4	121.4534	0.239	7	121.3786	0.252	13	121.8387	1.159	23	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:4:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|C<4>,3|H<1>,4|C<3>}	121.9840	0.093	2	121.4534	0.239	7	121.3786	0.252	13	121.8387	1.159	23	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:4:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|C<4>,3|H<1>,4|C<3>}	121.5660	0.000	1	121.4534	0.239	7	121.3786	0.252	13	121.8387	1.159	23	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:4:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a,6a]-3:C[5,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[5,6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]N[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[5,6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]N[6]){3|C<3>,3|C<4>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H){2|C<4>,2|H<1>,4|C<3>}	121.3400	0.107	2	121.3400	0.012	2	122.4727	1.903	4	121.8387	1.159	23	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:4:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a,6a]-3:C[5,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[5,6])(C[6a]O[6a]O)(N[6]C[6]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]N[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[5a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[5,6])(C[6a]O[6a]O)(N[6]C[6]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]N[6]){1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[5a]H)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>,2|O<2>}	124.1370	0.000	1	124.1370	0.000	1	122.4727	1.903	4	121.8387	1.159	23	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:4:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a,6a]-3:C[5,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[5,6])(C[6a]O[6a]O)(N[6]C[6]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]N[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[5,6])(C[6a]O[6a]O)(N[6]C[6]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]N[6]){1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	123.0740	0.000	1	123.0740	0.000	1	122.4727	1.903	4	121.8387	1.159	23	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:4:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a,6a]-3:C[6,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[6,6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]N[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6,6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]N[6]){3|C<3>,3|C<4>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H){2|C<4>,2|H<1>,4|C<3>}	122.3550	0.000	1	122.3550	0.000	1	123.3927	0.893	3	121.8387	1.159	23	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:4:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a,6a]-3:C[6,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[6,6])(C[6a]O[6a]O)(N[6]C[6]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]N[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6,6])(C[6a]O[6a]O)(N[6]C[6]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]N[6]){1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	123.9115	0.414	2	123.9115	0.171	2	123.3927	0.893	3	121.8387	1.159	23	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:4:3:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:S-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]CH)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]S){2|C<3>,2|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]CH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,1|S<4>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(SC[6a]OO){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	118.4620	0.000	1	117.8785	0.681	2	117.6450	0.352	4	118.7248	3.508	12	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:4:3:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:S-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]CH)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]S){2|C<3>,2|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]CH)(C[6a]C[6a]H){1|C<3>,1|O<2>,1|S<4>,2|C<4>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(SC[6a]OO){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	117.2950	0.000	1	117.8785	0.681	2	117.6450	0.352	4	118.7248	3.508	12	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:4:3:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:S-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]S){1|C<4>,2|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,1|O<2>,1|S<4>,2|C<4>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(SC[6a]OO){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	117.6910	0.000	1	117.6910	0.000	1	117.6450	0.352	4	118.7248	3.508	12	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:4:3:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:S-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]S){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(SC[6a]OO){1|H<1>,3|C<4>,4|C<3>}	117.1320	0.000	1	117.1320	0.000	1	117.6450	0.352	4	118.7248	3.508	12	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:4:3:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6]CC)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CCHH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]C){1|C<3>,3|H<1>,4|C<4>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6]CC)(C[6a]C[6a]H){1|C<3>,2|H<1>,4|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CCHH){2|C<3>,3|C<4>,4|H<1>}	122.1700	0.000	1	122.1700	0.000	1	122.1700	0.000	1	118.7248	3.508	12	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:4:3:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:S-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6]HO)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]S){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6]HO)(C[6a]C[6a]H){1|C<4>,1|O<2>,1|S<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(SC[6a]OO){2|C<4>,3|C<3>,4|H<1>}	119.8290	0.000	1	119.8290	0.000	1	119.8290	0.000	1	118.7248	3.508	12	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:4:3:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]HH){1|C<4>,3|H<1>,4|C<3>}	121.9420	0.000	1	121.9420	0.000	1	121.9420	0.000	1	118.7248	3.508	12	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:4:3:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]CH)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]CH)(C[6a]C[6a]H){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CH)(SC[6a]OO){1|C<4>,1|H<1>,4|C<3>}	117.3900	0.000	1	116.7730	0.761	2	117.8070	2.005	4	118.7248	3.508	12	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:4:3:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]CH)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){2|C<3>,2|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]CH)(C[6a]C[6a]H){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CH)(SC[6a]OO){1|C<4>,1|H<1>,4|C<3>}	116.1560	0.000	1	116.7730	0.761	2	117.8070	2.005	4	118.7248	3.508	12	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:4:3:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]CH)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]CH)(C[6a]C[6a]H){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(SC[6a]OO){1|C<4>,1|H<1>,6|C<3>}	118.1420	0.000	1	118.1420	0.000	1	117.8070	2.005	4	118.7248	3.508	12	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:4:3:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]O[6]C)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CN)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|N<2>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]O[6]C)(C[6a]C[6a]H){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CN)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	119.5400	0.000	1	119.5400	0.000	1	117.8070	2.005	4	118.7248	3.508	12	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:4:3:	3:4:4:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a]-3:S[6]-4:C-4:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]C[6a])(N[6]S[6]C)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[5,6]C[5,6]N[5]H)(C[6a]O[6a]O)	N[6](C[6,6a]C[6a,6a]C[6,6a])(S[6]C[5,6]OO)(CC[6a]HH)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]C[6a])(N[6]S[6]C){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>,3|O<1>}	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[5,6]C[5,6]N[5]H)(C[6a]O[6a]O){1|H<1>,1|S<4>,3|C<3>,3|C<4>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(S[6]C[5,6]OO)(CC[6a]HH){1|H<1>,2|C<4>,3|C<3>}	118.9490	0.000	1	118.9490	0.000	1	118.9490	0.000	1	118.7248	3.508	12	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:4:3:	4:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a,6a]-3:C[6]-4:C[6,6a]-3:	C[6,6]-4:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]O[6a]O)(N[6]C[6,6]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]N[6])	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]O[6a]O)(N[6]C[6,6]H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]N[6]){1|O<1>,1|O<2>,2|C<4>,3|H<1>,4|C<3>}	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	124.5640	0.000	1	124.5640	0.000	1	124.5640	0.000	1	124.5640	0.000	1	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	3:4:3:	4:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5,6]-4:C[6,6a]-3:S-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]CH)(C[6a]C[6a]H)	N[6](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]S){2|C<3>,2|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]CH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,1|S<4>,2|H<1>}	N[6](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(SC[6a]OO){1|C<4>,1|H<1>,1|N<3>,1|O<2>,4|C<3>}	117.1210	0.000	1	117.1210	0.000	1	117.1210	0.000	1	117.1210	0.000	1	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:2:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:O[6]-2:C-4:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]O[6]C)	C[6,6a](C[5,6]C[5,6]C[5]O)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(CH3)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]O[6]C){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6,6a](C[5,6]C[5,6]C[5]O)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,5|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(CH3){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	119.6100	0.000	1	119.6100	0.000	1	119.6100	0.000	1	119.6100	0.000	1	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[4,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[4,6]C[4,6]C[4]O[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(H)	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6,6a](C[4,6]C[4,6]C[4]O[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){3|C<3>,3|C<4>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(H){1|C<4>,1|H<1>,2|C<3>}	118.5150	0.000	1	118.5150	0.000	1	118.5150	0.000	1	118.5150	0.000	1	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[5,6]C[5,6,6a]C[5,6a]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,6|C<3>}	C[6,6a](C[5,6]C[5,6,6a]C[5,6a]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|H<1>,6|C<3>}	N[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2){1|C<4>,4|H<1>,6|C<3>}	120.2890	0.020	2	120.2890	0.000	2	120.0662	0.075	4	120.0022	0.077	5	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,8|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|C<4>,4|H<1>,6|C<3>}	119.8435	0.166	2	119.8435	0.028	2	120.0662	0.075	4	120.0022	0.077	5	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	P[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]P[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](P[6]C[6,6a]C[6a]S)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]P[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|S<1>,2|H<1>,6|C<3>}	C[6,6a](P[6]C[6,6a]C[6a]S)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|H<1>,6|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|P<4>,4|H<1>,6|C<3>}	119.7460	0.000	1	119.7460	0.000	1	119.7460	0.000	1	120.0022	0.077	5	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:S-4:	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]C)(SC[6a]OO)	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|S<4>,3|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]C)(SC[6a]OO){2|C<3>,2|C<4>,2|H<1>}	119.4640	0.000	1	119.4640	0.000	1	119.4640	0.000	1	118.9848	0.452	12	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[5,6]C[5,6,6a]C[5,6a]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CH3)	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6,6a]C[5,6a]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	N[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CH3){1|C<4>,2|H<1>,4|C<3>}	120.5120	0.000	1	120.5120	0.000	1	120.5120	0.000	1	118.9848	0.452	12	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6]C[6,6a]C[6a]2)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]2)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,7|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(CH3){1|C<4>,2|H<1>,4|C<3>}	118.5712	0.646	4	118.5712	0.417	4	118.7841	0.222	10	118.9848	0.452	12	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6]C[6,6a]C[6a]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|H<1>,2|C<4>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(CH3){1|C<4>,2|H<1>,4|C<3>}	119.0220	0.231	2	119.0220	0.053	2	118.7841	0.222	10	118.9848	0.452	12	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(CH3){1|C<4>,2|H<1>,4|C<3>}	118.9230	0.184	2	118.9230	0.034	2	118.7841	0.222	10	118.9848	0.452	12	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:3:4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(CC3)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(CC3){1|C<4>,2|H<1>,4|C<3>}	118.8330	0.571	2	118.8330	0.326	2	118.7841	0.222	10	118.9848	0.452	12	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6,6]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){2|C<3>,2|C<4>,4|H<1>}	C[6,6a](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|C<3>,4|C<4>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6,6]C[6a]H)(H){2|C<4>,2|H<1>,4|C<3>}	119.3020	0.000	1	119.3020	0.000	1	119.3020	0.000	1	120.8721	1.357	21	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[5,6]H)	C[6,6a](C[5,6]C[5,6]C[5]2)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[5,6]H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[5,6]C[5,6]C[5]2)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,3|C<4>,5|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(H){1|H<1>,3|C<4>,4|C<3>}	120.7950	0.000	1	120.7950	0.000	1	120.2640	0.226	4	120.8721	1.357	21	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[5,6]H)	C[6,6a](C[5,6]C[5,6]C[5]2)(C[6,6a]C[6a]N[6])(C[6a]C[6a]O)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]2)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[5,6]H){2|C<4>,2|O<2>,4|C<3>}	C[6,6a](C[5,6]C[5,6]C[5]2)(C[6,6a]C[6a]N[6])(C[6a]C[6a]O){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]2)(H){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	120.3070	0.000	1	120.3070	0.000	1	120.2640	0.226	4	120.8721	1.357	21	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[5,6]H)	C[6,6a](C[5,6]C[5,6]C[5]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[5,6]H){2|C<3>,2|H<1>,4|C<4>}	C[6,6a](C[5,6]C[5,6]C[5]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(H){1|C<4>,4|C<3>,4|H<1>}	120.3160	0.000	1	120.3160	0.000	1	120.2640	0.226	4	120.8721	1.357	21	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[5,6]H)	C[6,6a](C[5,6]C[5,6]O[5]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[5,6]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[5,6]C[5,6]O[5]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,4|C<3>}	119.6380	0.000	1	119.6380	0.000	1	120.2640	0.226	4	120.8721	1.357	21	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[5a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|Cl<1>,2|C<3>,2|C<4>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[5a]H)(H){2|C<4>,2|H<1>,4|C<3>}	120.3130	0.000	1	120.3130	0.000	1	120.7741	2.188	9	120.8721	1.357	21	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H){2|C<4>,2|H<1>,4|C<3>}	120.4840	0.000	1	120.4530	0.002	2	120.7741	2.188	9	120.8721	1.357	21	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H){2|C<4>,2|H<1>,4|C<3>}	120.4220	0.000	1	120.4530	0.002	2	120.7741	2.188	9	120.8721	1.357	21	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]Cl)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|Cl<1>,1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]Cl){1|C<3>,1|F<1>,3|C<4>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H){2|C<4>,2|H<1>,4|C<3>}	119.7125	0.504	2	119.7125	0.254	2	120.7741	2.188	9	120.8721	1.357	21	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CH)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|Br<1>,1|C<3>,3|C<4>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CH)(H){2|C<3>,2|C<4>,2|H<1>}	119.7060	0.000	1	119.7060	0.000	1	120.7741	2.188	9	120.8721	1.357	21	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H){2|C<4>,2|H<1>,4|C<3>}	121.1065	0.202	2	121.1065	0.041	2	120.7741	2.188	9	120.8721	1.357	21	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(N[6]C[6]H)	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(N[6]C[6]H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	124.4040	0.000	1	124.4040	0.000	1	120.7741	2.188	9	120.8721	1.357	21	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]Cl)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|Cl<1>,1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]Cl){1|C<3>,1|F<1>,3|C<4>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H){2|C<4>,2|H<1>,4|C<3>}	120.8830	0.000	1	120.8830	0.000	1	121.1060	0.097	3	120.8721	1.357	21	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<3>,1|F<1>,3|C<4>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H){2|C<4>,2|H<1>,4|C<3>}	120.9740	0.000	1	121.2175	0.119	2	121.1060	0.097	3	120.8721	1.357	21	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<3>,3|H<1>,4|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H){2|C<4>,2|H<1>,4|C<3>}	121.4610	0.000	1	121.2175	0.119	2	121.1060	0.097	3	120.8721	1.357	21	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H)	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H){2|C<3>,2|C<4>,4|H<1>}	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|Cl<1>,2|C<4>,3|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	121.7970	0.181	2	121.9180	0.064	4	121.9180	0.064	4	120.8721	1.357	21	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H)	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H){2|C<3>,2|C<4>,4|H<1>}	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	121.8140	0.000	1	121.9180	0.064	4	121.9180	0.064	4	120.8721	1.357	21	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H)	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H){2|C<3>,2|C<4>,4|H<1>}	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	122.2640	0.000	1	121.9180	0.064	4	121.9180	0.064	4	120.8721	1.357	21	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[3x6]-4:C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6]-4:C-4:	C[6,6a](C[6,6a]C[6a,6a]C[3x6])(C[6a]C[6a]H)(N[6]C[6,6]C)	C[6,6a](C[3x6]C[6,6,6a]C[6,6a]O[6,6])(C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]N[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]O[6,6]O[6]C)(CCHH)	C[6,6a](C[6,6a]C[6a,6a]C[3x6])(C[6a]C[6a]H)(N[6]C[6,6]C){1|C<4>,1|H<1>,2|O<2>,4|C<3>}	C[6,6a](C[3x6]C[6,6,6a]C[6,6a]O[6,6])(C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]N[6]){2|C<4>,2|H<1>,7|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]O[6,6]O[6]C)(CCHH){1|C<4>,1|H<1>,3|C<3>}	122.3550	0.000	1	122.3550	0.000	1	122.3550	0.000	1	119.7213	1.490	17	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[4,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[4,6]C[3,4]C[4,6]C[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]HH)(SC[6a]OO)	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){2|C<3>,2|C<4>,4|H<1>}	C[6,6a](C[4,6]C[3,4]C[4,6]C[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|S<4>,3|C<4>,3|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]HH)(SC[6a]OO){1|C<4>,2|H<1>,3|C<3>}	119.4555	0.395	2	119.4555	0.156	2	119.4555	0.156	2	119.7213	1.490	17	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[5,5,6]C[5,5]C[5,6]O[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(SC[6a]OO)	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6a](C[5,5,6]C[5,5]C[5,6]O[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|S<4>,2|C<3>,3|H<1>,5|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(SC[6a]OO){1|H<1>,2|C<4>,3|C<3>}	120.5990	0.000	1	120.5990	0.000	1	120.5990	0.000	1	119.7213	1.490	17	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[5,6]C[3,5]N[5,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]C[6a]H)(CH3)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6,6a](C[5,6]C[3,5]N[5,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]C[6a]H)(CH3){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	120.5370	0.000	1	120.5370	0.000	1	119.0524	1.429	8	119.7213	1.490	17	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CH3)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,2|C<3>,5|H<1>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|Br<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CH3){1|C<4>,2|H<1>,3|C<3>}	119.1980	0.000	1	118.7674	1.128	5	119.0524	1.429	8	119.7213	1.490	17	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CH3)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,2|C<3>,5|H<1>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CH3){1|C<4>,2|H<1>,3|C<3>}	118.6598	1.195	4	118.7674	1.128	5	119.0524	1.429	8	119.7213	1.490	17	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CH3)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CH3){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	117.8230	0.000	1	117.8230	0.000	1	119.0524	1.429	8	119.7213	1.490	17	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CH3)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|Br<1>,1|C<3>,2|H<1>,4|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CH3){2|C<3>,2|C<4>,2|H<1>}	120.2220	0.000	1	120.2220	0.000	1	119.0524	1.429	8	119.7213	1.490	17	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(SC[6a]OO)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<3>,1|S<4>,3|C<4>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(SC[6a]OO){2|C<3>,2|C<4>,2|H<1>}	119.6290	0.000	1	119.6290	0.000	1	119.9100	0.158	2	119.7213	1.490	17	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SCOO)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,1|S<4>,4|C<3>,5|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SCOO){1|C<4>,2|C<3>,3|H<1>}	120.1910	0.000	1	120.1910	0.000	1	119.9100	0.158	2	119.7213	1.490	17	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,2|C<4>,5|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<3>,1|S<4>,3|C<4>,5|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(SC[6a]OO){2|C<3>,2|C<4>,2|H<1>}	120.0615	0.258	2	120.0615	0.067	2	120.3860	0.349	3	119.7213	1.490	17	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	3:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[6,6]C[6,6]C[6]O)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]O)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|S<4>,3|C<3>,3|C<4>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(SC[6a]OO){1|H<1>,2|C<4>,3|C<3>}	121.0350	0.000	1	121.0350	0.000	1	120.3860	0.349	3	119.7213	1.490	17	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	4:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[5,6]H)	C[6,6a](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[5,6]H){2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	N[6](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(H){1|C<4>,3|H<1>,4|C<3>}	121.0180	0.000	1	121.0180	0.000	1	121.0180	0.000	1	120.3664	0.234	5	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	4:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]H)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6]C[6,6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>,3|C<4>}	N[6](C[6,6]C[6,6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a])(H){1|H<1>,3|C<4>,5|C<3>}	120.6240	0.000	1	120.6240	0.000	1	120.2035	0.135	4	120.3664	0.234	5	119.6706	2.043	478	119.7586	2.657	662
643	643	856	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[6]	3:3:3:	4:3:3:	4:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]H)	C[6,6a](C[6,6]N[6,6]N[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]H){2|C<3>,2|N<3>,4|H<1>}	C[6,6a](C[6,6]N[6,6]N[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(H){1|H<1>,2|C<4>,4|C<3>}	120.0633	0.292	3	120.0633	0.085	3	120.2035	0.135	4	120.3664	0.234	5	119.6706	2.043	478	119.7586	2.657	662